{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "cba4e00c",
   "metadata": {},
   "source": [
    "# Tutorial 13 — Extending the packer\n",
    "\n",
    "[![Open In Colab](https://colab.research.google.com/assets/colab-badge.svg)](https://colab.research.google.com/github/uw-ipd/tmol/blob/master/docs/tutorial/13_extending_the_packer.ipynb)\n",
    "\n",
    "Subclass `PackerPalette`, audit rotamer candidates, export their coordinates, and verify a packed structure. Complete [packing](04_packing_and_mutation_scan.ipynb) first.\n",
    "\n",
    "Rotamer enumeration is deterministic for a fixed task. Annealing searches candidate assignments stochastically; candidate counts do not predict the final sequence.\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "c5a2d1f0",
   "metadata": {},
   "source": [
    "## Setup\n",
    "\n",
    "In Colab, select **T4 GPU**, then **Run all**. For local execution, follow the [installation guide](../installation.md). Setup installs TMol and downloads the fixtures on first use.\n",
    "\n",
    "The notebook loads the first ten residues of the checked-in 1UBQ structure and optimizes polar hydrogens before interpreting all-atom scores. Only one internal position is designable, keeping CPU documentation execution practical.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "7ebcd4da",
   "metadata": {},
   "outputs": [],
   "source": [
    "try:\n",
    "    import google.colab  # noqa: F401\n",
    "except ImportError:\n",
    "    IN_COLAB = False\n",
    "else:\n",
    "    IN_COLAB = True\n",
    "\n",
    "if IN_COLAB:\n",
    "    from urllib.request import urlopen\n",
    "\n",
    "    exec(\n",
    "        urlopen(\n",
    "            \"https://raw.githubusercontent.com/uw-ipd/tmol/\"\n",
    "            \"master/docs/tutorial/colab_setup.py\"\n",
    "        ).read(),\n",
    "        globals(),\n",
    "    )\n",
    "    setup_colab([\"tmol/tests/data/cif/1UBQ.cif\"])\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "cb00cf14",
   "metadata": {
    "tags": [
     "collapse-code"
    ]
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Environment variable CCD_MIRROR_PATH not set. Will not be able to use function requiring this variable. To set it you may:\n",
      "  (1) add the line 'export VAR_NAME=path/to/variable' to your .bashrc or .zshrc file\n",
      "  (2) set it in your current shell with 'export VAR_NAME=path/to/variable'\n",
      "  (3) write it to a .env file in the root of the atomworks.io repository\n"
     ]
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Environment variable PDB_MIRROR_PATH not set. Will not be able to use function requiring this variable. To set it you may:\n",
      "  (1) add the line 'export VAR_NAME=path/to/variable' to your .bashrc or .zshrc file\n",
      "  (2) set it in your current shell with 'export VAR_NAME=path/to/variable'\n",
      "  (3) write it to a .env file in the root of the atomworks.io repository\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "TMol 0.1.62; PyTorch 2.14.1+cpu; device=cpu; blocks=10\n"
     ]
    }
   ],
   "source": [
    "from contextlib import redirect_stderr, redirect_stdout\n",
    "from io import StringIO\n",
    "from pathlib import Path\n",
    "import tempfile\n",
    "import warnings\n",
    "\n",
    "import matplotlib.pyplot as plt\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import torch\n",
    "from IPython.display import display\n",
    "from biotite.structure.io import load_structure\n",
    "\n",
    "import tmol\n",
    "from tmol.database import ParameterDatabase\n",
    "from tmol.io import pose_stack_from_biotite\n",
    "from tmol.numeric import coord_dihedrals\n",
    "from tmol.ops import res_mask_to_coord_mask\n",
    "from tmol.pack import PackerPalette, PackerTask, SetPackerTask, pack_rotamers\n",
    "from tmol.pack.rotamer import FixedAAChiSampler, IncludeCurrentSampler, build_rotamers\n",
    "from tmol.pack.rotamer.dunbrack import create_dunbrack_sampler_from_database\n",
    "from tmol.score import beta2016_score_function\n",
    "\n",
    "SEED = 20260910\n",
    "np.random.seed(SEED)\n",
    "torch.manual_seed(SEED)\n",
    "if torch.cuda.is_available():\n",
    "    torch.cuda.manual_seed_all(SEED)\n",
    "warnings.filterwarnings(\n",
    "    \"ignore\", message=r\"Sparse invariant checks are implicitly disabled.*\"\n",
    ")\n",
    "\n",
    "device = (\n",
    "    torch.device(\"cuda\", torch.cuda.current_device())\n",
    "    if torch.cuda.is_available()\n",
    "    else torch.device(\"cpu\")\n",
    ")\n",
    "repo_root = Path.cwd()\n",
    "if not (repo_root / \"tmol/tests/data/cif/1UBQ.cif\").exists():\n",
    "    repo_root = Path(tmol.__file__).resolve().parents[1]\n",
    "cif_path = repo_root / \"tmol/tests/data/cif/1UBQ.cif\"\n",
    "\n",
    "parameter_db = ParameterDatabase.get_default()\n",
    "atom_array = load_structure(str(cif_path), model=1, include_bonds=True)\n",
    "protein_slice = atom_array[(atom_array.chain_id == \"A\") & (atom_array.res_id <= 10)]\n",
    "diagnostics = StringIO()\n",
    "try:\n",
    "    with redirect_stdout(diagnostics), redirect_stderr(diagnostics):\n",
    "        pose_stack = pose_stack_from_biotite(\n",
    "            protein_slice,\n",
    "            device,\n",
    "            param_db=parameter_db,\n",
    "            no_optH=False,\n",
    "        )\n",
    "except Exception:\n",
    "    print(diagnostics.getvalue())\n",
    "    raise\n",
    "score_function = beta2016_score_function(device, param_db=parameter_db)\n",
    "\n",
    "\n",
    "def show_table(frame):\n",
    "    try:\n",
    "        from itables import show\n",
    "    except ImportError:\n",
    "        return display(frame)\n",
    "    return show(frame)\n",
    "\n",
    "\n",
    "def total_score(pose):\n",
    "    scorer = score_function.render_whole_pose_scoring_module(pose)\n",
    "    return float(scorer(pose.coords).detach().cpu()[0])\n",
    "\n",
    "\n",
    "print(\n",
    "    f\"TMol {tmol.__version__}; PyTorch {torch.__version__}; \"\n",
    "    f\"device={device}; blocks={pose_stack.max_n_blocks}\"\n",
    ")\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b9daef61",
   "metadata": {},
   "source": [
    "## Subclass `PackerPalette`\n",
    "\n",
    "Start from the default L-amino-acid compatibility rules, retain a hydrophobic alphabet, and always keep the original type. A palette or task may remove choices but must not re-enable rejected types.\n",
    "\n",
    "Only block 5 (LYS in the 1UBQ slice) is active. Every position retains at least one valid choice.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "abe86466",
   "metadata": {},
   "outputs": [
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   "source": [
    "class HydrophobicPalette(PackerPalette):\n",
    "    \"\"\"Allow a small hydrophobic alphabet plus each original block type.\"\"\"\n",
    "\n",
    "    def __init__(self, allowed_name3s=(\"ALA\", \"VAL\", \"LEU\", \"ILE\", \"PHE\")):\n",
    "        super().__init__()\n",
    "        self.allowed_name3s = frozenset(allowed_name3s)\n",
    "\n",
    "    def block_types_from_original(self, pbt, orig):\n",
    "        n_allowed, allowed, is_original = super().block_types_from_original(\n",
    "            pbt, orig\n",
    "        )\n",
    "        in_alphabet = torch.tensor(\n",
    "            [\n",
    "                block_type.name3 in self.allowed_name3s\n",
    "                for block_type in pbt.active_block_types\n",
    "            ],\n",
    "            dtype=torch.bool,\n",
    "            device=pbt.device,\n",
    "        )\n",
    "        real_choice = allowed >= 0\n",
    "        keep = torch.zeros_like(allowed, dtype=torch.bool)\n",
    "        keep[real_choice] = in_alphabet[allowed[real_choice]]\n",
    "        keep = (keep | is_original) & real_choice\n",
    "\n",
    "        order = torch.argsort((~keep).to(torch.int64), dim=2, stable=True)\n",
    "        allowed = torch.gather(allowed, 2, order)\n",
    "        is_original = torch.gather(is_original, 2, order)\n",
    "        keep = torch.gather(keep, 2, order)\n",
    "        allowed = torch.where(keep, allowed, torch.full_like(allowed, -1))\n",
    "        is_original = is_original & keep\n",
    "        n_allowed = keep.sum(dim=2)\n",
    "        return n_allowed, allowed, is_original\n",
    "\n",
    "\n",
    "target_block = 5\n",
    "palette = HydrophobicPalette()\n",
    "design_task = PackerTask(pose_stack, palette)\n",
    "design_region = torch.zeros(\n",
    "    (pose_stack.n_poses, pose_stack.max_n_blocks),\n",
    "    dtype=torch.bool,\n",
    "    device=device,\n",
    ")\n",
    "design_region[:, target_block] = True\n",
    "design_task.disable_packing_by_block_mask(~design_region)\n",
    "\n",
    "design_task.add_conformer_sampler(\n",
    "    create_dunbrack_sampler_from_database(parameter_db, device)\n",
    ")\n",
    "design_task.add_conformer_sampler(FixedAAChiSampler())\n",
    "design_task.add_conformer_sampler(IncludeCurrentSampler())\n",
    "\n",
    "considered = design_task.per_block_considered_block_types[0, target_block]\n",
    "allowed_mask = design_task.per_block_is_block_type_allowed[0, target_block]\n",
    "identity_rows = []\n",
    "for slot, (type_index, is_allowed) in enumerate(\n",
    "    zip(considered.detach().cpu().tolist(), allowed_mask.detach().cpu().tolist())\n",
    "):\n",
    "    if type_index < 0:\n",
    "        continue\n",
    "    block_type = pose_stack.packed_block_types.active_block_types[type_index]\n",
    "    identity_rows.append(\n",
    "        {\n",
    "            \"choice_slot\": slot,\n",
    "            \"block_type\": block_type.name,\n",
    "            \"name3\": block_type.name3,\n",
    "            \"allowed_after_palette\": bool(is_allowed),\n",
    "            \"is_original\": type_index == int(pose_stack.block_type_ind64[0, target_block]),\n",
    "        }\n",
    "    )\n",
    "identity_frame = pd.DataFrame(identity_rows)\n",
    "show_table(identity_frame)\n",
    "assert identity_frame.loc[identity_frame.allowed_after_palette, \"name3\"].isin(\n",
    "    palette.allowed_name3s | {pose_stack.block_type(0, target_block).name3}\n",
    ").all()\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "2f151196",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Orange target: block 5, LYS\n"
     ]
    },
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null;\nvar warn = document.getElementById(\"3dmolwarning_17914109370376658\");\nif(warn) {\n    warn.parentNode.removeChild(warn);\n}\n$3Dmolpromise.then(function() {\nviewer_17914109370376658 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109370376658\"),{backgroundColor:\"white\"});\nviewer_17914109370376658.zoomTo();\n\tviewer_17914109370376658.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  1.00 30.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  1.00 30.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  1.00 30.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  1.00 30.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  1.00 30.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  1.00 30.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  1.00 30.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  1.00 30.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  1.00 30.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  1.00 30.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  1.00 30.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  1.00 30.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  1.00 30.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  1.00 30.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  1.00 30.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  1.00 30.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  1.00 30.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  1.00 30.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  1.00 30.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  1.00 30.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  1.00 30.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  1.00 30.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  1.00 30.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  1.00 30.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  1.00 30.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  1.00 30.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  1.00 30.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  1.00 30.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  1.00 30.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  1.00 30.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  1.00 30.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  1.00 30.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  1.00 30.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  1.00 30.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  1.00 30.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  1.00 30.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  1.00 30.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  1.00 30.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  1.00 30.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  1.00 30.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  1.00 30.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  1.00 30.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  1.00 30.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  1.00 30.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  1.00 30.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  1.00 30.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  1.00 30.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  1.00 30.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  1.00 30.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  1.00 30.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  1.00 30.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  1.00 30.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  1.00 30.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  1.00 30.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  1.00 30.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  1.00 30.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  1.00 30.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  1.00 30.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  1.00 30.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  1.00 30.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  1.00 30.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  1.00 30.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  1.00 30.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  1.00 30.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  1.00 30.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  1.00 30.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  1.00 30.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  1.00 30.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  1.00 30.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  1.00 30.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  1.00 30.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  1.00 30.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  1.00 30.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  1.00 30.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  1.00 30.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  1.00 30.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  1.00 30.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  1.00 30.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  1.00 30.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  1.00 30.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  1.00 30.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  1.00 30.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  1.00 30.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  1.00 30.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  1.00 30.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  1.00 30.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  1.00 30.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  1.00 30.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  1.00 30.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  1.00 30.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  1.00 30.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  1.00 30.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  1.00 30.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  1.00 30.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  1.00 30.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  1.00 30.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  1.00 30.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  1.00 30.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  1.00 30.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  1.00 30.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  1.00 30.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  1.00 30.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  1.00 30.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  1.00 30.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  1.00 30.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  1.00 30.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  1.00 30.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  1.00 30.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  1.00 30.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  1.00 30.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  1.00 30.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  1.00 30.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  1.00 30.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  1.00 30.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  1.00 30.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  1.00 30.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  1.00 30.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  1.00 30.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  1.00 30.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  1.00 30.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  1.00 30.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  1.00 30.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  1.00 30.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  1.00 30.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  1.00 30.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  1.00 30.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  1.00 30.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  1.00 30.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  1.00 30.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  1.00 30.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  1.00 30.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  1.00 30.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  1.00 30.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  1.00 30.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  1.00 30.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  1.00 30.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  1.00 30.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  1.00 30.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  1.00 30.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  1.00 30.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  1.00 30.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  1.00 30.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  1.00 30.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  1.00 30.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  1.00 30.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  1.00 30.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  1.00 30.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  1.00 30.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  1.00 30.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  1.00 30.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  1.00 30.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  1.00 30.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  1.00 30.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  1.00 30.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  1.00 30.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  1.00 30.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  1.00 30.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  1.00 30.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  1.00 30.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  1.00 30.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  1.00 30.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  1.00 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       "viewer_17914109370376658.zoomTo();\n",
       "\tviewer_17914109370376658.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  1.00 30.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  1.00 30.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  1.00 30.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  1.00 30.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  1.00 30.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  1.00 30.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  1.00 30.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  1.00 30.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  1.00 30.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  1.00 30.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  1.00 30.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  1.00 30.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  1.00 30.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  1.00 30.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  1.00 30.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  1.00 30.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  1.00 30.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  1.00 30.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  1.00 30.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  1.00 30.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  1.00 30.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  1.00 30.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  1.00 30.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  1.00 30.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  1.00 30.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  1.00 30.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  1.00 30.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  1.00 30.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  1.00 30.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  1.00 30.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  1.00 30.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  1.00 30.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  1.00 30.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  1.00 30.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  1.00 30.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  1.00 30.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  1.00 30.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  1.00 30.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  1.00 30.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  1.00 30.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  1.00 30.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  1.00 30.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  1.00 30.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  1.00 30.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  1.00 30.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  1.00 30.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  1.00 30.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  1.00 30.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  1.00 30.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  1.00 30.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  1.00 30.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  1.00 30.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  1.00 30.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  1.00 30.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  1.00 30.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  1.00 30.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  1.00 30.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  1.00 30.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  1.00 30.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  1.00 30.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  1.00 30.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  1.00 30.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  1.00 30.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  1.00 30.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  1.00 30.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  1.00 30.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  1.00 30.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  1.00 30.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  1.00 30.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  1.00 30.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  1.00 30.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  1.00 30.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  1.00 30.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  1.00 30.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  1.00 30.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  1.00 30.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  1.00 30.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  1.00 30.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  1.00 30.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  1.00 30.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  1.00 30.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  1.00 30.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  1.00 30.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  1.00 30.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  1.00 30.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  1.00 30.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  1.00 30.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  1.00 30.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  1.00 30.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  1.00 30.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  1.00 30.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  1.00 30.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  1.00 30.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  1.00 30.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  1.00 30.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  1.00 30.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  1.00 30.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  1.00 30.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  1.00 30.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  1.00 30.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  1.00 30.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  1.00 30.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  1.00 30.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  1.00 30.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  1.00 30.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  1.00 30.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  1.00 30.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  1.00 30.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  1.00 30.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  1.00 30.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  1.00 30.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  1.00 30.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  1.00 30.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  1.00 30.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  1.00 30.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  1.00 30.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  1.00 30.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  1.00 30.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  1.00 30.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  1.00 30.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  1.00 30.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  1.00 30.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  1.00 30.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  1.00 30.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  1.00 30.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  1.00 30.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  1.00 30.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  1.00 30.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  1.00 30.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  1.00 30.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  1.00 30.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  1.00 30.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  1.00 30.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  1.00 30.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  1.00 30.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  1.00 30.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  1.00 30.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  1.00 30.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  1.00 30.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  1.00 30.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  1.00 30.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  1.00 30.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  1.00 30.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  1.00 30.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  1.00 30.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  1.00 30.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  1.00 30.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  1.00 30.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  1.00 30.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  1.00 30.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  1.00 30.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  1.00 30.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  1.00 30.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  1.00 30.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  1.00 30.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  1.00 30.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  1.00 30.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  1.00 30.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  1.00 30.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  1.00 30.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  1.00 30.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  1.00 30.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
       "\tviewer_17914109370376658.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109370376658.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109370376658.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109370376658.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109370376658.addStyle({\"serial\": [92, 93, 94, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 105, 106, 107, 108, 109, 110, 111, 112, 113]},{\"stick\": {\"color\": \"#f58518\", \"radius\": 0.28}, \"sphere\": {\"color\": \"#f58518\", \"radius\": 0.45}});\n",
       "\tviewer_17914109370376658.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109370376658.zoomTo();\n",
       "viewer_17914109370376658.render();\n",
       "});\n",
       "</script>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "target_mask = torch.zeros_like(design_region)\n",
    "target_mask[:, target_block] = True\n",
    "target_atom_mask = res_mask_to_coord_mask(pose_stack, target_mask)\n",
    "try:\n",
    "    target_viewer = tmol.view(\n",
    "        pose_stack,\n",
    "        highlighted=target_atom_mask[pose_stack.real_atoms],\n",
    "        highlight_color=\"#f58518\",\n",
    "        width=720,\n",
    "        height=390,\n",
    "    )\n",
    "    print(\n",
    "        f\"Orange target: block {target_block}, \"\n",
    "        f\"{pose_stack.block_type(0, target_block).name3}\"\n",
    "    )\n",
    "    target_viewer.show()\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive target viewer unavailable:\", exc)\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "1aa41496",
   "metadata": {},
   "source": [
    "The table distinguishes considered choices from choices still allowed after applying the palette. Only the whitelist and the original LYS remain. Terminal or chemically incompatible variants are absent because the default palette rejected them before the subclass filtered the set.\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b7bc9a9f",
   "metadata": {},
   "source": [
    "## Enumerate and audit rotamers before annealing\n",
    "\n",
    "`SetPackerTask` freezes the task masks. `build_rotamers()` then combines every configured sampler into a coordinate ensemble. This is the right stage for auditing whether a custom alphabet and sampling policy produced the intended search space.\n",
    "\n",
    "The identity-count plot answers how many candidates each residue type contributes. The χ plot shows their geometry. It does not show probabilities, energies, an annealing trajectory, or statistically independent samples.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "1dfa21bf",
   "metadata": {},
   "outputs": [
    {
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       "            </g>\n",
       "        </g>\n",
       "    </g>\n",
       "</svg>\n",
       "</a>\n",
       "        Loading ITables v2.9.1 from the internet...\n",
       "        (need <a href=https://itables.org/troubleshooting.html>help</a>?)\n",
       "      </td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<div id=\"itables_c98d03ee_a8e4_4327_8b54_42d3a0598418_fallback\"><table style=\"border-collapse:collapse\"><thead>    <tr style=\"text-align: right;\">\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\"><sup><noscript><span title=\"JavaScript not allowed. Please trust this notebook to get interactive tables.\">🔒</span></noscript><a href=https://itables.org/fallbacks/static_preview.html title=\"ITables v2.9.1 static preview\">ⓘ</a></sup></th>\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\">name3</th>\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\">candidate_rotamers</th>\n",
       "    </tr></thead><tbody>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">3</td><td style=\"border:1px solid #ddd;padding:8px\">LYS</td><td style=\"border:1px solid #ddd;padding:8px\">41</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">4</td><td style=\"border:1px solid #ddd;padding:8px\">PHE</td><td style=\"border:1px solid #ddd;padding:8px\">11</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">2</td><td style=\"border:1px solid #ddd;padding:8px\">LEU</td><td style=\"border:1px solid #ddd;padding:8px\">6</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">1</td><td style=\"border:1px solid #ddd;padding:8px\">ILE</td><td style=\"border:1px solid #ddd;padding:8px\">6</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">5</td><td style=\"border:1px solid #ddd;padding:8px\">VAL</td><td style=\"border:1px solid #ddd;padding:8px\">3</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">0</td><td style=\"border:1px solid #ddd;padding:8px\">ALA</td><td style=\"border:1px solid #ddd;padding:8px\">1</td></tr>\n",
       "</tbody></table></div><script>document.getElementById(\"itables_c98d03ee_a8e4_4327_8b54_42d3a0598418\")?.removeAttribute(\"hidden\");document.getElementById(\"itables_c98d03ee_a8e4_4327_8b54_42d3a0598418_fallback\")?.setAttribute(\"hidden\", \"hidden\");</script>\n",
       "<link href=\"https://www.unpkg.com/dt_for_itables@2.5.8/dt_bundle.css\" rel=\"stylesheet\">\n",
       "<script type=\"module\">\n",
       "    import { ITable, jQuery as $ } from 'https://www.unpkg.com/dt_for_itables@2.5.8/dt_bundle.js';\n",
       "\n",
       "    document.querySelectorAll(\"#itables_c98d03ee_a8e4_4327_8b54_42d3a0598418:not(.dataTable)\").forEach(table => {\n",
       "        if (!(table instanceof HTMLTableElement))\n",
       "            return;\n",
       "\n",
       "        let dt_args = {\n",
       "          \"classes\": [\"display\", \"nowrap\", \"compact\"],\n",
       "          \"data_json\": \"[[3, \\\"LYS\\\", 41], [4, \\\"PHE\\\", 11], [2, \\\"LEU\\\", 6], [1, \\\"ILE\\\", 6], [5, \\\"VAL\\\", 3], [0, \\\"ALA\\\", 1]]\",\n",
       "          \"layout\": {\"bottomEnd\": null, \"bottomStart\": null, \"topEnd\": null, \"topStart\": null},\n",
       "          \"order\": [],\n",
       "          \"style\": {\"caption-side\": \"bottom\", \"margin\": \"auto\", \"table-layout\": \"auto\", \"width\": \"auto\"},\n",
       "          \"table_html\": \"<table><thead>\\n    <tr style=\\\"text-align: right;\\\">\\n      <th></th>\\n      <th>name3</th>\\n      <th>candidate_rotamers</th>\\n    </tr>\\n  </thead></table>\",\n",
       "          \"text_in_header_can_be_selected\": true\n",
       "        };\n",
       "        new ITable(table, dt_args);\n",
       "    });\n",
       "</script>\n"
      ],
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",
      "text/plain": [
       "<Figure size 1150x460 with 2 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "rotamer_pose, rotamer_set = build_rotamers(\n",
    "    pose_stack,\n",
    "    SetPackerTask.from_packer_task(design_task),\n",
    "    pose_stack.packed_block_types.chem_db,\n",
    ")\n",
    "target_rotamer_count = int(rotamer_set.n_rots_for_block[0, target_block])\n",
    "target_rotamer_offset = int(rotamer_set.rot_offset_for_block[0, target_block])\n",
    "\n",
    "rotamer_rows = []\n",
    "for local_rotamer in range(target_rotamer_count):\n",
    "    rotamer_index = target_rotamer_offset + local_rotamer\n",
    "    block_type_index = int(rotamer_set.block_type_ind_for_rot[rotamer_index])\n",
    "    block_type = rotamer_pose.packed_block_types.active_block_types[\n",
    "        block_type_index\n",
    "    ]\n",
    "    coordinate_offset = int(rotamer_set.coord_offset_for_rot[rotamer_index])\n",
    "    row = {\n",
    "        \"local_rotamer\": local_rotamer,\n",
    "        \"rotamer_index\": rotamer_index,\n",
    "        \"block_type\": block_type.name,\n",
    "        \"name3\": block_type.name3,\n",
    "    }\n",
    "    for torsion_index in block_type.sc_torsions:\n",
    "        atom_indices = block_type.ordered_torsions[torsion_index, :, 0]\n",
    "        if np.any(atom_indices < 0):\n",
    "            continue\n",
    "        coordinates = rotamer_set.coords[\n",
    "            coordinate_offset\n",
    "            + torch.as_tensor(atom_indices, dtype=torch.long, device=device)\n",
    "        ].double()\n",
    "        radians = coord_dihedrals(\n",
    "            coordinates[0:1],\n",
    "            coordinates[1:2],\n",
    "            coordinates[2:3],\n",
    "            coordinates[3:4],\n",
    "        )[0]\n",
    "        name = block_type.torsions[torsion_index].name\n",
    "        row[f\"{name}_degrees\"] = float(torch.rad2deg(radians).detach().cpu())\n",
    "    rotamer_rows.append(row)\n",
    "\n",
    "rotamer_frame = pd.DataFrame(rotamer_rows)\n",
    "identity_counts = (\n",
    "    rotamer_frame.groupby(\"name3\", as_index=False)\n",
    "    .size()\n",
    "    .rename(columns={\"size\": \"candidate_rotamers\"})\n",
    "    .sort_values(\"candidate_rotamers\", ascending=False)\n",
    ")\n",
    "show_table(identity_counts)\n",
    "\n",
    "fig, axes = plt.subplots(1, 2, figsize=(11.5, 4.6))\n",
    "axes[0].bar(identity_counts.name3, identity_counts.candidate_rotamers, color=\"#4c78a8\")\n",
    "axes[0].set(\n",
    "    xlabel=\"allowed residue identity\",\n",
    "    ylabel=\"candidate rotamers\",\n",
    "    title=f\"Search-space composition at block {target_block}\",\n",
    ")\n",
    "axes[0].grid(axis=\"y\", alpha=0.25)\n",
    "\n",
    "if {\"chi1_degrees\", \"chi2_degrees\"}.issubset(rotamer_frame.columns):\n",
    "    for name3, values in rotamer_frame.dropna(\n",
    "        subset=[\"chi1_degrees\", \"chi2_degrees\"]\n",
    "    ).groupby(\"name3\"):\n",
    "        axes[1].scatter(\n",
    "            (values.chi1_degrees + 180.0) % 360.0 - 180.0,\n",
    "            (values.chi2_degrees + 180.0) % 360.0 - 180.0,\n",
    "            label=name3,\n",
    "            alpha=0.75,\n",
    "        )\n",
    "    axes[1].legend(fontsize=8, ncol=2)\n",
    "axes[1].set(\n",
    "    xlim=(-180, 180),\n",
    "    ylim=(-180, 180),\n",
    "    xlabel=\"wrapped χ1 (degrees)\",\n",
    "    ylabel=\"wrapped χ2 (degrees)\",\n",
    "    title=\"Candidate side-chain geometry\",\n",
    ")\n",
    "axes[1].grid(alpha=0.25)\n",
    "plt.tight_layout()\n",
    "plt.show()\n",
    "\n",
    "assert target_rotamer_count == int(identity_counts.candidate_rotamers.sum())\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "98ee079c",
   "metadata": {},
   "source": [
    "## Inspect and export candidates\n",
    "\n",
    "The helper converts each target rotamer's packed coordinates into a single-residue PDB model and joins them into a multi-model file. Neighbors and energies are excluded.\n",
    "\n",
    "The viewer shows up to twelve candidates. `rotamer_ensemble_pdb` and the temporary file contain the full ensemble.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "0ddf176a",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "wrote 68 models to block5_rotamer_ensemble.pdb; bytes=112728\n",
      "MODEL        1\n",
      "ATOM      1 N    ALA A   6      27.751  35.867  13.740  1.00  0.00           N\n",
      "ATOM      2 CA   ALA A   6      27.691  37.315  14.143  1.00  0.00           C\n",
      "ATOM      3 C    ALA A   6      28.469  37.475  15.420  1.00  0.00           C\n",
      "ATOM      4 O    ALA A   6      28.213  36.753  16.411  1.00  0.00           O\n",
      "ATOM      5 CB   ALA A   6      26.260  37.797  14.331  1.00  0.00           C\n",
      "ATOM      6 H    ALA A   6      27.087  35.218  14.137  1.00  0.00           H\n",
      "ATOM      7 HA   ALA A   6      28.141  37.914  13.350  1.00  0.00           H\n"
     ]
    },
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       "  <label>Structure: <select id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-select\"><option value=\"0\">00: ALA</option><option value=\"1\">01: ILE</option><option value=\"2\">02: ILE</option><option value=\"3\">03: ILE</option><option value=\"4\">04: ILE</option><option value=\"5\">05: ILE</option><option value=\"6\">06: ILE</option><option value=\"7\">07: LEU</option><option value=\"8\">08: LEU</option><option value=\"9\">09: LEU</option><option value=\"10\">10: LEU</option><option value=\"11\">11: LEU</option></select></label>\n",
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       "    \n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-0\" class=\"tmol-switch-panel\"\n",
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       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377415586\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377415586\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
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       "        <p id=\"3dmolwarning_17914109377416532\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "\tviewer_17914109377416532.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      25.448  37.694  13.054  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      26.247  39.245  14.858  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      23.964  37.923  13.229  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      25.751  37.177  15.088  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      25.823  38.418  12.331  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      25.592  36.702  12.626  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      25.220  39.580  15.001  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      26.782  39.299  15.805  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      26.739  39.888  14.127  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      23.465  37.824  12.264  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      23.561  37.185  13.923  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      23.794  38.923  13.623  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
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       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-2\" class=\"tmol-switch-panel\"\n",
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       "        <p id=\"3dmolwarning_17914109377417357\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "\tviewer_17914109377417357.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      25.414  37.579  13.092  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      26.242  39.282  14.738  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      25.958  38.275  11.865  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      25.780  37.235  15.152  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      25.360  36.511  12.883  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      24.396  37.931  13.259  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      25.215  39.616  14.883  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      26.802  39.419  15.662  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      26.705  39.867  13.943  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      25.313  38.064  11.011  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      25.988  39.351  12.040  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      26.963  37.912  11.657  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
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       "        <p id=\"3dmolwarning_17914109377418125\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "\n",
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       "viewer_17914109377418125 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377418125\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377418125.zoomTo();\n",
       "\tviewer_17914109377418125.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      26.237  39.313  14.645  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      25.582  37.041  15.485  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      24.867  39.944  14.547  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      25.675  37.662  13.440  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      26.624  39.492  15.648  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      26.898  39.824  13.945  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      24.564  37.404  15.621  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      25.559  35.980  15.239  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      26.146  37.187  16.406  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      24.940  41.009  14.766  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      24.475  39.807  13.539  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      24.197  39.472  15.265  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377418125.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377418125.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377418125.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377418125.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377418125.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377418125.zoomTo();\n",
       "viewer_17914109377418125.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-4\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377418883\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377418883\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377418883 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377418883\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377418883 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377418883\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377418883.zoomTo();\n",
       "\tviewer_17914109377418883.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      26.237  39.314  14.642  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      25.584  37.043  15.487  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      26.609  40.166  13.450  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      25.675  37.660  13.441  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      25.245  39.612  14.978  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      26.935  39.535  15.450  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      24.565  37.406  15.623  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      25.561  35.982  15.243  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      26.148  37.192  16.408  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      26.579  41.219  13.732  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      27.616  39.908  13.118  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      25.903  39.988  12.641  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377418883.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377418883.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377418883.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377418883.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377418883.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377418883.zoomTo();\n",
       "viewer_17914109377418883.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-5\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377419631\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377419631\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377419631 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377419631\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377419631 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377419631\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377419631.zoomTo();\n",
       "\tviewer_17914109377419631.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      25.475  37.780  13.034  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      26.249  39.212  14.943  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      24.995  36.402  12.639  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      25.730  37.139  15.038  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      24.608  38.436  13.105  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      26.108  38.162  12.232  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      25.221  39.547  15.086  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      26.763  39.204  15.903  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      26.761  39.893  14.263  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      24.456  36.462  11.693  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      25.851  35.737  12.527  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      24.331  36.014  13.409  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377419631.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377419631.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377419631.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377419631.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377419631.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377419631.zoomTo();\n",
       "viewer_17914109377419631.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-6\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_1791410937742038\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_1791410937742038\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_1791410937742038 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_1791410937742038\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_1791410937742038 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_1791410937742038\"),{backgroundColor:\"white\"});\n",
       "viewer_1791410937742038.zoomTo();\n",
       "\tviewer_1791410937742038.addModel(\"ATOM      1 N    ILE A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   ILE A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    ILE A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    ILE A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   ILE A   6      26.249  37.810  14.354  1.00  0.00           C\\nATOM      6 CG1  ILE A   6      25.563  37.002  15.459  1.00  0.00           C\\nATOM      7 CG2  ILE A   6      25.460  37.720  13.057  1.00  0.00           C\\nATOM      8 CD1  ILE A   6      24.221  37.557  15.878  1.00  0.00           C\\nATOM      9 H    ILE A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   ILE A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB   ILE A   6      26.265  38.848  14.687  1.00  0.00           H\\nATOM     12 HG12 ILE A   6      25.419  35.976  15.123  1.00  0.00           H\\nATOM     13 HG13 ILE A   6      26.207  36.969  16.339  1.00  0.00           H\\nATOM     14 HG21 ILE A   6      24.443  38.073  13.225  1.00  0.00           H\\nATOM     15 HG22 ILE A   6      25.937  38.337  12.298  1.00  0.00           H\\nATOM     16 HG23 ILE A   6      25.433  36.684  12.719  1.00  0.00           H\\nATOM     17 HD11 ILE A   6      23.798  36.931  16.665  1.00  0.00           H\\nATOM     18 HD12 ILE A   6      24.348  38.573  16.253  1.00  0.00           H\\nATOM     19 HD13 ILE A   6      23.548  37.566  15.022  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_1791410937742038.setBackgroundColor(\"white\");\n",
       "\tviewer_1791410937742038.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_1791410937742038.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_1791410937742038.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_1791410937742038.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_1791410937742038.zoomTo();\n",
       "viewer_1791410937742038.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-7\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377421095\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377421095\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377421095 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377421095\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377421095 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377421095\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377421095.zoomTo();\n",
       "\tviewer_17914109377421095.addModel(\"ATOM      1 N    LEU A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   LEU A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    LEU A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    LEU A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   LEU A   6      26.248  37.790  14.353  1.00  0.00           C\\nATOM      6 CG   LEU A   6      26.087  39.244  14.817  1.00  0.00           C\\nATOM      7 CD1  LEU A   6      26.572  40.184  13.722  1.00  0.00           C\\nATOM      8 CD2  LEU A   6      24.629  39.509  15.160  1.00  0.00           C\\nATOM      9 H    LEU A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   LEU A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB2  LEU A   6      25.706  37.680  13.415  1.00  0.00           H\\nATOM     12 HB3  LEU A   6      25.776  37.150  15.099  1.00  0.00           H\\nATOM     13 HG   LEU A   6      26.704  39.414  15.700  1.00  0.00           H\\nATOM     14 HD11 LEU A   6      26.458  41.216  14.052  1.00  0.00           H\\nATOM     15 HD12 LEU A   6      27.623  39.985  13.511  1.00  0.00           H\\nATOM     16 HD13 LEU A   6      25.983  40.024  12.819  1.00  0.00           H\\nATOM     17 HD21 LEU A   6      24.514  40.542  15.491  1.00  0.00           H\\nATOM     18 HD22 LEU A   6      24.011  39.340  14.277  1.00  0.00           H\\nATOM     19 HD23 LEU A   6      24.314  38.836  15.957  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377421095.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377421095.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377421095.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377421095.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377421095.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377421095.zoomTo();\n",
       "viewer_17914109377421095.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-8\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377422035\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377422035\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377422035 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377422035\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377422035 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377422035\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377422035.zoomTo();\n",
       "\tviewer_17914109377422035.addModel(\"ATOM      1 N    LEU A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   LEU A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    LEU A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    LEU A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   LEU A   6      26.248  37.790  14.353  1.00  0.00           C\\nATOM      6 CG   LEU A   6      25.332  37.700  13.126  1.00  0.00           C\\nATOM      7 CD1  LEU A   6      23.923  38.131  13.510  1.00  0.00           C\\nATOM      8 CD2  LEU A   6      25.887  38.577  12.013  1.00  0.00           C\\nATOM      9 H    LEU A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   LEU A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB2  LEU A   6      25.798  37.195  15.146  1.00  0.00           H\\nATOM     12 HB3  LEU A   6      26.268  38.831  14.676  1.00  0.00           H\\nATOM     13 HG   LEU A   6      25.284  36.667  12.783  1.00  0.00           H\\nATOM     14 HD11 LEU A   6      23.273  38.067  12.638  1.00  0.00           H\\nATOM     15 HD12 LEU A   6      23.544  37.475  14.294  1.00  0.00           H\\nATOM     16 HD13 LEU A   6      23.943  39.158  13.873  1.00  0.00           H\\nATOM     17 HD21 LEU A   6      25.237  38.513  11.140  1.00  0.00           H\\nATOM     18 HD22 LEU A   6      25.935  39.611  12.354  1.00  0.00           H\\nATOM     19 HD23 LEU A   6      26.888  38.236  11.746  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377422035.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377422035.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377422035.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377422035.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377422035.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377422035.zoomTo();\n",
       "viewer_17914109377422035.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-9\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377422783\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377422783\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377422783 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377422783\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377422783 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377422783\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377422783.zoomTo();\n",
       "\tviewer_17914109377422783.addModel(\"ATOM      1 N    LEU A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   LEU A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    LEU A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    LEU A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   LEU A   6      26.248  37.790  14.353  1.00  0.00           C\\nATOM      6 CG   LEU A   6      26.076  39.287  14.640  1.00  0.00           C\\nATOM      7 CD1  LEU A   6      24.682  39.729  14.215  1.00  0.00           C\\nATOM      8 CD2  LEU A   6      26.305  39.550  16.121  1.00  0.00           C\\nATOM      9 H    LEU A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   LEU A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB2  LEU A   6      25.671  37.556  13.460  1.00  0.00           H\\nATOM     12 HB3  LEU A   6      25.819  37.241  15.191  1.00  0.00           H\\nATOM     13 HG   LEU A   6      26.799  39.856  14.055  1.00  0.00           H\\nATOM     14 HD11 LEU A   6      24.560  40.793  14.419  1.00  0.00           H\\nATOM     15 HD12 LEU A   6      24.552  39.548  13.148  1.00  0.00           H\\nATOM     16 HD13 LEU A   6      23.936  39.165  14.773  1.00  0.00           H\\nATOM     17 HD21 LEU A   6      26.183  40.614  16.325  1.00  0.00           H\\nATOM     18 HD22 LEU A   6      25.581  38.983  16.708  1.00  0.00           H\\nATOM     19 HD23 LEU A   6      27.314  39.241  16.394  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377422783.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377422783.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377422783.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377422783.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377422783.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377422783.zoomTo();\n",
       "viewer_17914109377422783.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-10\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377423508\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377423508\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377423508 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377423508\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377423508 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377423508\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377423508.zoomTo();\n",
       "\tviewer_17914109377423508.addModel(\"ATOM      1 N    LEU A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   LEU A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    LEU A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    LEU A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   LEU A   6      26.248  37.790  14.353  1.00  0.00           C\\nATOM      6 CG   LEU A   6      26.069  39.298  14.571  1.00  0.00           C\\nATOM      7 CD1  LEU A   6      26.641  39.687  15.928  1.00  0.00           C\\nATOM      8 CD2  LEU A   6      26.759  40.059  13.449  1.00  0.00           C\\nATOM      9 H    LEU A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   LEU A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB2  LEU A   6      25.659  37.510  13.481  1.00  0.00           H\\nATOM     12 HB3  LEU A   6      25.837  37.278  15.223  1.00  0.00           H\\nATOM     13 HG   LEU A   6      25.007  39.542  14.575  1.00  0.00           H\\nATOM     14 HD11 LEU A   6      26.514  40.758  16.083  1.00  0.00           H\\nATOM     15 HD12 LEU A   6      26.116  39.142  16.714  1.00  0.00           H\\nATOM     16 HD13 LEU A   6      27.701  39.439  15.960  1.00  0.00           H\\nATOM     17 HD21 LEU A   6      26.632  41.131  13.604  1.00  0.00           H\\nATOM     18 HD22 LEU A   6      27.822  39.817  13.445  1.00  0.00           H\\nATOM     19 HD23 LEU A   6      26.319  39.776  12.493  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
       "\tviewer_17914109377423508.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109377423508.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109377423508.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109377423508.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109377423508.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109377423508.zoomTo();\n",
       "viewer_17914109377423508.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "<section id=\"tmol-switch-30e41d0a54614762baa1f01e75a4de35-panel-11\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">One enumerated side-chain candidate; no packing score applied</div>\n",
       "  <div id=\"3dmolviewer_17914109377424214\"  style=\"position: relative; width: 620px; height: 360px;\">\n",
       "        <p id=\"3dmolwarning_17914109377424214\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
       "        </div>\n",
       "<script>\n",
       "\n",
       "var loadScriptAsync = function(uri){\n",
       "  return new Promise((resolve, reject) => {\n",
       "    //this is to ignore the existence of requirejs amd\n",
       "    var savedexports, savedmodule;\n",
       "    if (typeof exports !== 'undefined') savedexports = exports;\n",
       "    else exports = {}\n",
       "    if (typeof module !== 'undefined') savedmodule = module;\n",
       "    else module = {}\n",
       "\n",
       "    var tag = document.createElement('script');\n",
       "    tag.src = uri;\n",
       "    tag.async = true;\n",
       "    tag.onload = () => {\n",
       "        exports = savedexports;\n",
       "        module = savedmodule;\n",
       "        resolve();\n",
       "    };\n",
       "  var firstScriptTag = document.getElementsByTagName('script')[0];\n",
       "  firstScriptTag.parentNode.insertBefore(tag, firstScriptTag);\n",
       "});\n",
       "};\n",
       "\n",
       "if(typeof $3Dmolpromise === 'undefined') {\n",
       "$3Dmolpromise = null;\n",
       "  $3Dmolpromise = loadScriptAsync('https://cdn.jsdelivr.net/npm/3dmol@2.5.5/build/3Dmol-min.js');\n",
       "}\n",
       "\n",
       "var viewer_17914109377424214 = null;\n",
       "var warn = document.getElementById(\"3dmolwarning_17914109377424214\");\n",
       "if(warn) {\n",
       "    warn.parentNode.removeChild(warn);\n",
       "}\n",
       "$3Dmolpromise.then(function() {\n",
       "viewer_17914109377424214 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109377424214\"),{backgroundColor:\"white\"});\n",
       "viewer_17914109377424214.zoomTo();\n",
       "\tviewer_17914109377424214.addModel(\"ATOM      1 N    LEU A   6      27.751  35.867  13.740  1.00  0.00           N\\nATOM      2 CA   LEU A   6      27.691  37.315  14.143  1.00  0.00           C\\nATOM      3 C    LEU A   6      28.469  37.475  15.420  1.00  0.00           C\\nATOM      4 O    LEU A   6      28.213  36.753  16.411  1.00  0.00           O\\nATOM      5 CB   LEU A   6      26.248  37.790  14.353  1.00  0.00           C\\nATOM      6 CG   LEU A   6      25.467  38.130  13.077  1.00  0.00           C\\nATOM      7 CD1  LEU A   6      25.295  36.872  12.237  1.00  0.00           C\\nATOM      8 CD2  LEU A   6      24.118  38.726  13.451  1.00  0.00           C\\nATOM      9 H    LEU A   6      27.087  35.218  14.137  1.00  0.00           H\\nATOM     10 HA   LEU A   6      28.141  37.914  13.350  1.00  0.00           H\\nATOM     11 HB2  LEU A   6      25.699  37.011  14.880  1.00  0.00           H\\nATOM     12 HB3  LEU A   6      26.263  38.682  14.980  1.00  0.00           H\\nATOM     13 HG   LEU A   6      26.031  38.851  12.486  1.00  0.00           H\\nATOM     14 HD11 LEU A   6      24.740  37.113  11.330  1.00  0.00           H\\nATOM     15 HD12 LEU A   6      26.275  36.478  11.967  1.00  0.00           H\\nATOM     16 HD13 LEU A   6      24.747  36.124  12.809  1.00  0.00           H\\nATOM     17 HD21 LEU A   6      23.563  38.968  12.544  1.00  0.00           H\\nATOM     18 HD22 LEU A   6      23.552  38.005  14.041  1.00  0.00           H\\nATOM     19 HD23 LEU A   6      24.270  39.633  14.036  1.00  0.00           H\\nEND\\n\",\"pdb\");\n",
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   "source": [
    "def rotamer_pdb_body(rotamer_index):\n",
    "    block_type_index = int(rotamer_set.block_type_ind_for_rot[rotamer_index])\n",
    "    block_type = rotamer_pose.packed_block_types.active_block_types[\n",
    "        block_type_index\n",
    "    ]\n",
    "    coordinate_offset = int(rotamer_set.coord_offset_for_rot[rotamer_index])\n",
    "    lines = []\n",
    "    for atom_index, atom in enumerate(block_type.atoms, start=1):\n",
    "        x, y, z = rotamer_set.coords[\n",
    "            coordinate_offset + atom_index - 1\n",
    "        ].detach().cpu().tolist()\n",
    "        element = \"\".join(character for character in atom.name if character.isalpha())[:1]\n",
    "        lines.append(\n",
    "            f\"ATOM  {atom_index:5d} {atom.name:<4} {block_type.name3:>3} A\"\n",
    "            f\"{target_block + 1:4d}    {x:8.3f}{y:8.3f}{z:8.3f}\"\n",
    "            f\"  1.00  0.00          {element:>2}\"\n",
    "        )\n",
    "    return block_type.name3, \"\\n\".join(lines) + \"\\n\"\n",
    "\n",
    "\n",
    "models = []\n",
    "candidate_views = {}\n",
    "candidate_notes = {}\n",
    "for local_rotamer in range(target_rotamer_count):\n",
    "    rotamer_index = target_rotamer_offset + local_rotamer\n",
    "    name3, body = rotamer_pdb_body(rotamer_index)\n",
    "    models.append(f\"MODEL     {local_rotamer + 1:4d}\\n{body}ENDMDL\\n\")\n",
    "    if local_rotamer < 12:\n",
    "        label = f\"{local_rotamer:02d}: {name3}\"\n",
    "        candidate_views[label] = body + \"END\\n\"\n",
    "        candidate_notes[label] = \"One enumerated side-chain candidate; no packing score applied\"\n",
    "\n",
    "rotamer_ensemble_pdb = \"\".join(models)\n",
    "export_dir = Path(tempfile.mkdtemp(prefix=\"tmol-rotamer-tutorial-\"))\n",
    "export_path = export_dir / \"block5_rotamer_ensemble.pdb\"\n",
    "export_path.write_text(rotamer_ensemble_pdb)\n",
    "print(\n",
    "    f\"wrote {target_rotamer_count} models to {export_path.name}; \"\n",
    "    f\"bytes={export_path.stat().st_size}\"\n",
    ")\n",
    "print(\"\\n\".join(rotamer_ensemble_pdb.splitlines()[:8]))\n",
    "\n",
    "try:\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            candidate_views,\n",
    "            notes=candidate_notes,\n",
    "            width=620,\n",
    "            height=360,\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive rotamer selector unavailable:\", exc)\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b48c1dd1",
   "metadata": {},
   "source": [
    "Switching candidates changes side-chain identity and/or χ geometry while preserving the local backbone frame used to construct the rotamers. The multi-model file is a geometry audit artifact. It is not a trajectory, an ordered energy ranking, or a collection of independently packed structures.\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "dc9e1b9f",
   "metadata": {},
   "source": [
    "## Run the assignment search and verify the result\n",
    "\n",
    "Only now does `pack_rotamers()` score interacting candidates and run the annealer. The result must belong to the audited palette, every non-target identity must remain unchanged, and backbone coordinates must remain fixed. CPU and CUDA use different stochastic search implementations, so the chosen identity and score need not match across devices.\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "44717ac7",
   "metadata": {},
   "outputs": [
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       "      <th style=\"border:1px solid #ddd;padding:8px\"><sup><noscript><span title=\"JavaScript not allowed. Please trust this notebook to get interactive tables.\">🔒</span></noscript><a href=https://itables.org/fallbacks/static_preview.html title=\"ITables v2.9.1 static preview\">ⓘ</a></sup>stage</th>\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\">target_identity</th>\n",
       "      <th style=\"border:1px solid #ddd;padding:8px\">weighted_score_units</th>\n",
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       "    </tr></thead><tbody>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">input</td><td style=\"border:1px solid #ddd;padding:8px\">LYS</td><td style=\"border:1px solid #ddd;padding:8px\">28.778711</td><td style=\"border:1px solid #ddd;padding:8px\">0.000000</td></tr>\n",
       "<tr><td style=\"border:1px solid #ddd;padding:8px\">custom-palette packing</td><td style=\"border:1px solid #ddd;padding:8px\">ILE</td><td style=\"border:1px solid #ddd;padding:8px\">27.658930</td><td style=\"border:1px solid #ddd;padding:8px\">-1.119781</td></tr>\n",
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     "text": [
      "maximum backbone coordinate change: 0.000000 Å\n"
     ]
    }
   ],
   "source": [
    "input_score = total_score(pose_stack)\n",
    "torch.manual_seed(SEED)\n",
    "packed_pose = pack_rotamers(\n",
    "    pose_stack, score_function, design_task, verbose=False\n",
    ")\n",
    "packed_score = total_score(packed_pose)\n",
    "original_identity = pose_stack.block_type(0, target_block).name3\n",
    "packed_identity = packed_pose.block_type(0, target_block).name3\n",
    "\n",
    "result_frame = pd.DataFrame(\n",
    "    [\n",
    "        {\n",
    "            \"stage\": \"input\",\n",
    "            \"target_identity\": original_identity,\n",
    "            \"weighted_score_units\": input_score,\n",
    "            \"score_change\": 0.0,\n",
    "        },\n",
    "        {\n",
    "            \"stage\": \"custom-palette packing\",\n",
    "            \"target_identity\": packed_identity,\n",
    "            \"weighted_score_units\": packed_score,\n",
    "            \"score_change\": packed_score - input_score,\n",
    "        },\n",
    "    ]\n",
    ")\n",
    "show_table(result_frame)\n",
    "\n",
    "for block in range(pose_stack.max_n_blocks):\n",
    "    if block != target_block:\n",
    "        assert packed_pose.block_type(0, block).name3 == pose_stack.block_type(0, block).name3\n",
    "assert packed_identity in palette.allowed_name3s | {original_identity}\n",
    "\n",
    "# N, CA, C, and O coordinates are unaffected by side-chain packing.\n",
    "max_backbone_change = 0.0\n",
    "for block in range(pose_stack.max_n_blocks):\n",
    "    before_type = pose_stack.block_type(0, block)\n",
    "    after_type = packed_pose.block_type(0, block)\n",
    "    before_offset = int(pose_stack.block_coord_offset64[0, block])\n",
    "    after_offset = int(packed_pose.block_coord_offset64[0, block])\n",
    "    for atom_name in (\"N\", \"CA\", \"C\", \"O\"):\n",
    "        delta = (\n",
    "            packed_pose.coords[0, after_offset + after_type.atom_to_idx[atom_name]]\n",
    "            - pose_stack.coords[0, before_offset + before_type.atom_to_idx[atom_name]]\n",
    "        )\n",
    "        max_backbone_change = max(\n",
    "            max_backbone_change,\n",
    "            float(torch.linalg.vector_norm(delta).detach().cpu()),\n",
    "        )\n",
    "print(f\"maximum backbone coordinate change: {max_backbone_change:.6f} Å\")\n",
    "assert max_backbone_change < 1e-4\n"
   ]
  },
  {
   "cell_type": "code",
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   "id": "1dbf3080",
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       "\tviewer_17914109386391752.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  1.00 30.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  1.00 30.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  1.00 30.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  1.00 30.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  1.00 30.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  1.00 30.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  1.00 30.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  1.00 30.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  1.00 30.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  1.00 30.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  1.00 30.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  1.00 30.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  1.00 30.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  1.00 30.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  1.00 30.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  1.00 30.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  1.00 30.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  1.00 30.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  1.00 30.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  1.00 30.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  1.00 30.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  1.00 30.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  1.00 30.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  1.00 30.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  1.00 30.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  1.00 30.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  1.00 30.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  1.00 30.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  1.00 30.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  1.00 30.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  1.00 30.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  1.00 30.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  1.00 30.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  1.00 30.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  1.00 30.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  1.00 30.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  1.00 30.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  1.00 30.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  1.00 30.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  1.00 30.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  1.00 30.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  1.00 30.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  1.00 30.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  1.00 30.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  1.00 30.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  1.00 30.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  1.00 30.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  1.00 30.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  1.00 30.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  1.00 30.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  1.00 30.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  1.00 30.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  1.00 30.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  1.00 30.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  1.00 30.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  1.00 30.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  1.00 30.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  1.00 30.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  1.00 30.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  1.00 30.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  1.00 30.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  1.00 30.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  1.00 30.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  1.00 30.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  1.00 30.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  1.00 30.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  1.00 30.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  1.00 30.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  1.00 30.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  1.00 30.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  1.00 30.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  1.00 30.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  1.00 30.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  1.00 30.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  1.00 30.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  1.00 30.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  1.00 30.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  1.00 30.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  1.00 30.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  1.00 30.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  1.00 30.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  1.00 30.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  1.00 30.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  1.00 30.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  1.00 30.00\\nATOM     92  N   LYS A   6      27.751  35.867  13.740  1.00 30.00\\nATOM     93  CA  LYS A   6      27.691  37.315  14.143  1.00 30.00\\nATOM     94  C   LYS A   6      28.469  37.475  15.420  1.00 30.00\\nATOM     95  O   LYS A   6      28.213  36.753  16.411  1.00 30.00\\nATOM     96  CB  LYS A   6      26.219  37.684  14.307  1.00 30.00\\nATOM     97  CG  LYS A   6      25.884  39.139  14.615  1.00 30.00\\nATOM     98  CD  LYS A   6      24.348  39.296  14.642  1.00 30.00\\nATOM     99  CE  LYS A   6      23.865  40.723  14.749  1.00 30.00\\nATOM    100  NZ  LYS A   6      22.375  40.720  14.907  1.00 30.00\\nATOM    101  H   LYS A   6      27.087  35.218  14.137  1.00 30.00\\nATOM    102  HA  LYS A   6      28.141  37.914  13.350  1.00 30.00\\nATOM    103  HB2 LYS A   6      25.678  37.436  13.394  1.00 30.00\\nATOM    104  HB3 LYS A   6      25.784  37.096  15.115  1.00 30.00\\nATOM    105  HG2 LYS A   6      26.311  39.414  15.580  1.00 30.00\\nATOM    106  HG3 LYS A   6      26.318  39.782  13.850  1.00 30.00\\nATOM    107  HD2 LYS A   6      23.923  38.876  13.729  1.00 30.00\\nATOM    108  HD3 LYS A   6      23.942  38.752  15.495  1.00 30.00\\nATOM    109  HE2 LYS A   6      24.336  41.203  15.605  1.00 30.00\\nATOM    110  HE3 LYS A   6      24.149  41.272  13.851  1.00 30.00\\nATOM    111  HZ1 LYS A   6      22.042  41.671  14.979  1.00 30.00\\nATOM    112  HZ2 LYS A   6      21.952  40.275  14.105  1.00 30.00\\nATOM    113  HZ3 LYS A   6      22.126  40.212  15.744  1.00 30.00\\nATOM    114  N   THR A   7      29.426  38.430  15.446  1.00 30.00\\nATOM    115  CA  THR A   7      30.225  38.643  16.662  1.00 30.00\\nATOM    116  C   THR A   7      29.664  39.839  17.434  1.00 30.00\\nATOM    117  O   THR A   7      28.850  40.565  16.859  1.00 30.00\\nATOM    118  CB  THR A   7      31.744  38.879  16.299  1.00 30.00\\nATOM    119  OG1 THR A   7      31.737  40.257  15.824  1.00 30.00\\nATOM    120  CG2 THR A   7      32.260  37.969  15.171  1.00 30.00\\nATOM    121  H   THR A   7      29.602  39.005  14.635  1.00 30.00\\nATOM    122  HA  THR A   7      30.152  37.751  17.284  1.00 30.00\\nATOM    123  HB  THR A   7      32.361  38.694  17.178  1.00 30.00\\nATOM    124  HG1 THR A   7      32.628  40.512  15.571  1.00 30.00\\nATOM    125 HG21 THR A   7      33.310  38.189  14.978  1.00 30.00\\nATOM    126 HG22 THR A   7      32.156  36.926  15.469  1.00 30.00\\nATOM    127 HG23 THR A   7      31.680  38.147  14.266  1.00 30.00\\nATOM    128  N   LEU A   8      30.132  40.069  18.642  1.00 30.00\\nATOM    129  CA  LEU A   8      29.607  41.180  19.467  1.00 30.00\\nATOM    130  C   LEU A   8      30.075  42.538  18.984  1.00 30.00\\nATOM    131  O   LEU A   8      29.586  43.570  19.483  1.00 30.00\\nATOM    132  CB  LEU A   8      29.919  40.890  20.938  1.00 30.00\\nATOM    133  CG  LEU A   8      29.183  39.722  21.581  1.00 30.00\\nATOM    134  CD1 LEU A   8      29.308  39.750  23.095  1.00 30.00\\nATOM    135  CD2 LEU A   8      27.700  39.721  21.228  1.00 30.00\\nATOM    136  H   LEU A   8      30.862  39.480  19.017  1.00 30.00\\nATOM    137  HA  LEU A   8      28.528  41.234  19.328  1.00 30.00\\nATOM    138  HB2 LEU A   8      30.985  40.688  21.034  1.00 30.00\\nATOM    139  HB3 LEU A   8      29.684  41.778  21.525  1.00 30.00\\nATOM    140  HG  LEU A   8      29.617  38.783  21.235  1.00 30.00\\nATOM    141 HD11 LEU A   8      28.771  38.902  23.520  1.00 30.00\\nATOM    142 HD12 LEU A   8      30.360  39.689  23.374  1.00 30.00\\nATOM    143 HD13 LEU A   8      28.883  40.677  23.478  1.00 30.00\\nATOM    144 HD21 LEU A   8      27.213  38.871  21.706  1.00 30.00\\nATOM    145 HD22 LEU A   8      27.242  40.646  21.578  1.00 30.00\\nATOM    146 HD23 LEU A   8      27.583  39.645  20.147  1.00 30.00\\nATOM    147  N   THR A   9      30.991  42.571  17.998  1.00 30.00\\nATOM    148  CA  THR A   9      31.422  43.940  17.553  1.00 30.00\\nATOM    149  C   THR A   9      30.755  44.351  16.277  1.00 30.00\\nATOM    150  O   THR A   9      31.207  45.268  15.566  1.00 30.00\\nATOM    151  CB  THR A   9      32.979  43.918  17.445  1.00 30.00\\nATOM    152  OG1 THR A   9      33.174  43.067  16.265  1.00 30.00\\nATOM    153  CG2 THR A   9      33.657  43.319  18.672  1.00 30.00\\nATOM    154  H   THR A   9      31.394  41.759  17.552  1.00 30.00\\nATOM    155  HA  THR A   9      31.106  44.664  18.305  1.00 30.00\\nATOM    156  HB  THR A   9      33.350  44.936  17.323  1.00 30.00\\nATOM    157  HG1 THR A   9      33.034  43.587  15.470  1.00 30.00\\nATOM    158 HG21 THR A   9      34.738  43.333  18.534  1.00 30.00\\nATOM    159 HG22 THR A   9      33.396  43.904  19.554  1.00 30.00\\nATOM    160 HG23 THR A   9      33.323  42.291  18.807  1.00 30.00\\nATOM    161  N   GLY A  10      29.721  43.673  15.885  1.00 30.00\\nATOM    162  CA  GLY A  10      28.978  43.960  14.678  1.00 30.00\\nATOM    163  C   GLY A  10      29.604  43.507  13.393  1.00 30.00\\nATOM    164  H   GLY A  10      29.431  42.902  16.470  1.00 30.00\\nATOM    165  HA2 GLY A  10      27.994  43.494  14.737  1.00 30.00\\nATOM    166  HA3 GLY A  10      28.820  45.035  14.595  1.00 30.00\\nATOM    167  O   GLY A  10      29.219  43.981  12.301  1.00 30.00\\nATOM    168  OXT GLY A  10      30.479  42.686  13.409  1.00 30.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
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       "<section id=\"tmol-switch-cd9892fd06a3480aa3a9f5796feb0098-panel-1\" class=\"tmol-switch-panel\"\n",
       "         style=\"position:absolute;inset:0;visibility:hidden\">\n",
       "  <div class=\"tmol-viewer-note\">weighted score 27.659; change -1.120</div>\n",
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       "        <p id=\"3dmolwarning_17914109386532989\" style=\"background-color:#ffcccc;color:black\">3Dmol.js failed to load for some reason.  Please check your browser console for error messages.<br></p>\n",
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       "viewer_17914109386532989 = $3Dmol.createViewer(document.getElementById(\"3dmolviewer_17914109386532989\"),{backgroundColor:\"white\"});\n",
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       "\tviewer_17914109386532989.addModel(\"MODEL 1\\nATOM      1  N   MET A   1      27.340  24.430   2.614  1.00 30.00\\nATOM      2  CA  MET A   1      26.266  25.413   2.842  1.00 30.00\\nATOM      3  C   MET A   1      26.913  26.639   3.531  1.00 30.00\\nATOM      4  O   MET A   1      27.886  26.463   4.263  1.00 30.00\\nATOM      5  CB  MET A   1      25.112  24.880   3.649  1.00 30.00\\nATOM      6  CG  MET A   1      25.353  24.860   5.134  1.00 30.00\\nATOM      7  SD  MET A   1      23.930  23.959   5.904  1.00 30.00\\nATOM      8  CE  MET A   1      24.447  23.984   7.620  1.00 30.00\\nATOM      9  HA  MET A   1      25.864  25.717   1.875  1.00 30.00\\nATOM     10  HB2 MET A   1      24.227  25.486   3.461  1.00 30.00\\nATOM     11  HB3 MET A   1      24.886  23.861   3.332  1.00 30.00\\nATOM     12  HG2 MET A   1      26.298  24.359   5.342  1.00 30.00\\nATOM     13  HG3 MET A   1      25.421  25.882   5.505  1.00 30.00\\nATOM     14  HE1 MET A   1      23.700  23.479   8.233  1.00 30.00\\nATOM     15  HE2 MET A   1      25.405  23.472   7.719  1.00 30.00\\nATOM     16  HE3 MET A   1      24.552  25.017   7.954  1.00 30.00\\nATOM     17  H1  MET A   1      26.961  23.619   2.168  1.00 30.00\\nATOM     18  H2  MET A   1      28.043  24.834   2.029  1.00 30.00\\nATOM     19  H3  MET A   1      27.746  24.169   3.490  1.00 30.00\\nATOM     20  N   GLN A   2      26.335  27.770   3.258  1.00 30.00\\nATOM     21  CA  GLN A   2      26.850  29.021   3.898  1.00 30.00\\nATOM     22  C   GLN A   2      26.100  29.253   5.202  1.00 30.00\\nATOM     23  O   GLN A   2      24.865  29.024   5.330  1.00 30.00\\nATOM     24  CB  GLN A   2      26.733  30.148   2.905  1.00 30.00\\nATOM     25  CG  GLN A   2      26.882  31.546   3.409  1.00 30.00\\nATOM     26  CD  GLN A   2      26.786  32.562   2.270  1.00 30.00\\nATOM     27  OE1 GLN A   2      25.705  32.805   1.726  1.00 30.00\\nATOM     28  NE2 GLN A   2      27.919  33.155   1.910  1.00 30.00\\nATOM     29  H   GLN A   2      25.549  27.828   2.627  1.00 30.00\\nATOM     30  HA  GLN A   2      27.898  28.870   4.158  1.00 30.00\\nATOM     31  HB2 GLN A   2      27.488  30.028   2.128  1.00 30.00\\nATOM     32  HB3 GLN A   2      25.757  30.107   2.422  1.00 30.00\\nATOM     33  HG2 GLN A   2      26.089  31.748   4.128  1.00 30.00\\nATOM     34  HG3 GLN A   2      27.856  31.647   3.889  1.00 30.00\\nATOM     35 HE21 GLN A   2      28.773  32.928   2.378  1.00 30.00\\nATOM     36 HE22 GLN A   2      27.918  33.829   1.171  1.00 30.00\\nATOM     37  N   ILE A   3      26.849  29.656   6.217  1.00 30.00\\nATOM     38  CA  ILE A   3      26.235  30.058   7.497  1.00 30.00\\nATOM     39  C   ILE A   3      26.882  31.428   7.862  1.00 30.00\\nATOM     40  O   ILE A   3      27.906  31.711   7.264  1.00 30.00\\nATOM     41  CB  ILE A   3      26.344  29.050   8.645  1.00 30.00\\nATOM     42  CG1 ILE A   3      27.810  28.748   8.999  1.00 30.00\\nATOM     43  CG2 ILE A   3      25.491  27.771   8.287  1.00 30.00\\nATOM     44  CD1 ILE A   3      27.967  28.087  10.417  1.00 30.00\\nATOM     45  H   ILE A   3      27.854  29.691   6.121  1.00 30.00\\nATOM     46  HA  ILE A   3      25.168  30.210   7.336  1.00 30.00\\nATOM     47  HB  ILE A   3      25.964  29.500   9.562  1.00 30.00\\nATOM     48 HG12 ILE A   3      28.235  28.081   8.250  1.00 30.00\\nATOM     49 HG13 ILE A   3      28.388  29.672   8.977  1.00 30.00\\nATOM     50 HG21 ILE A   3      25.563  27.047   9.098  1.00 30.00\\nATOM     51 HG22 ILE A   3      24.449  28.056   8.147  1.00 30.00\\nATOM     52 HG23 ILE A   3      25.872  27.325   7.368  1.00 30.00\\nATOM     53 HD11 ILE A   3      29.022  27.896  10.615  1.00 30.00\\nATOM     54 HD12 ILE A   3      27.571  28.760  11.178  1.00 30.00\\nATOM     55 HD13 ILE A   3      27.418  27.147  10.443  1.00 30.00\\nATOM     56  N   PHE A   4      26.214  32.097   8.771  1.00 30.00\\nATOM     57  CA  PHE A   4      26.772  33.436   9.197  1.00 30.00\\nATOM     58  C   PHE A   4      27.151  33.362  10.650  1.00 30.00\\nATOM     59  O   PHE A   4      26.350  32.778  11.395  1.00 30.00\\nATOM     60  CB  PHE A   4      25.695  34.498   8.946  1.00 30.00\\nATOM     61  CG  PHE A   4      25.288  34.609   7.499  1.00 30.00\\nATOM     62  CD1 PHE A   4      24.147  33.966   7.038  1.00 30.00\\nATOM     63  CD2 PHE A   4      26.136  35.346   6.640  1.00 30.00\\nATOM     64  CE1 PHE A   4      23.812  34.031   5.677  1.00 30.00\\nATOM     65  CE2 PHE A   4      25.810  35.392   5.267  1.00 30.00\\nATOM     66  CZ  PHE A   4      24.620  34.778   4.853  1.00 30.00\\nATOM     67  H   PHE A   4      25.358  31.764   9.192  1.00 30.00\\nATOM     68  HA  PHE A   4      27.654  33.652   8.592  1.00 30.00\\nATOM     69  HB2 PHE A   4      24.809  34.264   9.535  1.00 30.00\\nATOM     70  HB3 PHE A   4      26.059  35.470   9.276  1.00 30.00\\nATOM     71  HD1 PHE A   4      23.523  33.417   7.744  1.00 30.00\\nATOM     72  HD2 PHE A   4      27.054  35.813   6.998  1.00 30.00\\nATOM     73  HE1 PHE A   4      22.936  33.500   5.306  1.00 30.00\\nATOM     74  HE2 PHE A   4      26.451  35.884   4.536  1.00 30.00\\nATOM     75  HZ  PHE A   4      24.350  34.921   3.808  1.00 30.00\\nATOM     76  N   VAL A   5      28.260  33.943  11.096  1.00 30.00\\nATOM     77  CA  VAL A   5      28.605  33.965  12.503  1.00 30.00\\nATOM     78  C   VAL A   5      28.638  35.461  12.900  1.00 30.00\\nATOM     79  O   VAL A   5      29.522  36.103  12.320  1.00 30.00\\nATOM     80  CB  VAL A   5      29.963  33.317  12.814  1.00 30.00\\nATOM     81  CG1 VAL A   5      30.211  33.394  14.304  1.00 30.00\\nATOM     82  CG2 VAL A   5      29.957  31.838  12.352  1.00 30.00\\nATOM     83  H   VAL A   5      28.880  34.382  10.431  1.00 30.00\\nATOM     84  HA  VAL A   5      27.849  33.405  13.054  1.00 30.00\\nATOM     85  HB  VAL A   5      30.745  33.862  12.284  1.00 30.00\\nATOM     86 HG11 VAL A   5      31.173  32.937  14.537  1.00 30.00\\nATOM     87 HG12 VAL A   5      30.220  34.438  14.618  1.00 30.00\\nATOM     88 HG13 VAL A   5      29.420  32.862  14.832  1.00 30.00\\nATOM     89 HG21 VAL A   5      30.922  31.384  12.574  1.00 30.00\\nATOM     90 HG22 VAL A   5      29.171  31.296  12.877  1.00 30.00\\nATOM     91 HG23 VAL A   5      29.774  31.793  11.278  1.00 30.00\\nATOM     92  N   ILE A   6      27.751  35.867  13.740  1.00 30.00\\nATOM     93  CA  ILE A   6      27.691  37.315  14.143  1.00 30.00\\nATOM     94  C   ILE A   6      28.469  37.475  15.420  1.00 30.00\\nATOM     95  O   ILE A   6      28.213  36.753  16.411  1.00 30.00\\nATOM     96  CB  ILE A   6      26.249  37.810  14.354  1.00 30.00\\nATOM     97  CG1 ILE A   6      25.448  37.694  13.054  1.00 30.00\\nATOM     98  CG2 ILE A   6      26.247  39.245  14.858  1.00 30.00\\nATOM     99  CD1 ILE A   6      23.964  37.923  13.229  1.00 30.00\\nATOM    100  H   ILE A   6      27.087  35.218  14.137  1.00 30.00\\nATOM    101  HA  ILE A   6      28.141  37.914  13.350  1.00 30.00\\nATOM    102  HB  ILE A   6      25.751  37.177  15.088  1.00 30.00\\nATOM    103 HG12 ILE A   6      25.823  38.418  12.331  1.00 30.00\\nATOM    104 HG13 ILE A   6      25.592  36.702  12.626  1.00 30.00\\nATOM    105 HG21 ILE A   6      25.220  39.580  15.001  1.00 30.00\\nATOM    106 HG22 ILE A   6      26.782  39.299  15.805  1.00 30.00\\nATOM    107 HG23 ILE A   6      26.739  39.888  14.127  1.00 30.00\\nATOM    108 HD11 ILE A   6      23.465  37.824  12.264  1.00 30.00\\nATOM    109 HD12 ILE A   6      23.561  37.185  13.923  1.00 30.00\\nATOM    110 HD13 ILE A   6      23.794  38.923  13.623  1.00 30.00\\nATOM    111  N   THR A   7      29.426  38.430  15.446  1.00 30.00\\nATOM    112  CA  THR A   7      30.225  38.643  16.662  1.00 30.00\\nATOM    113  C   THR A   7      29.664  39.839  17.434  1.00 30.00\\nATOM    114  O   THR A   7      28.850  40.565  16.859  1.00 30.00\\nATOM    115  CB  THR A   7      31.744  38.879  16.299  1.00 30.00\\nATOM    116  OG1 THR A   7      31.737  40.257  15.824  1.00 30.00\\nATOM    117  CG2 THR A   7      32.260  37.969  15.171  1.00 30.00\\nATOM    118  H   THR A   7      29.602  39.005  14.635  1.00 30.00\\nATOM    119  HA  THR A   7      30.152  37.751  17.284  1.00 30.00\\nATOM    120  HB  THR A   7      32.361  38.694  17.178  1.00 30.00\\nATOM    121  HG1 THR A   7      32.628  40.512  15.571  1.00 30.00\\nATOM    122 HG21 THR A   7      33.310  38.189  14.978  1.00 30.00\\nATOM    123 HG22 THR A   7      32.156  36.926  15.469  1.00 30.00\\nATOM    124 HG23 THR A   7      31.680  38.147  14.266  1.00 30.00\\nATOM    125  N   LEU A   8      30.132  40.069  18.642  1.00 30.00\\nATOM    126  CA  LEU A   8      29.607  41.180  19.467  1.00 30.00\\nATOM    127  C   LEU A   8      30.075  42.538  18.984  1.00 30.00\\nATOM    128  O   LEU A   8      29.586  43.570  19.483  1.00 30.00\\nATOM    129  CB  LEU A   8      29.919  40.890  20.938  1.00 30.00\\nATOM    130  CG  LEU A   8      29.183  39.722  21.581  1.00 30.00\\nATOM    131  CD1 LEU A   8      29.308  39.750  23.095  1.00 30.00\\nATOM    132  CD2 LEU A   8      27.700  39.721  21.228  1.00 30.00\\nATOM    133  H   LEU A   8      30.862  39.480  19.017  1.00 30.00\\nATOM    134  HA  LEU A   8      28.528  41.234  19.328  1.00 30.00\\nATOM    135  HB2 LEU A   8      30.985  40.688  21.034  1.00 30.00\\nATOM    136  HB3 LEU A   8      29.684  41.778  21.525  1.00 30.00\\nATOM    137  HG  LEU A   8      29.617  38.783  21.235  1.00 30.00\\nATOM    138 HD11 LEU A   8      28.771  38.902  23.520  1.00 30.00\\nATOM    139 HD12 LEU A   8      30.360  39.689  23.374  1.00 30.00\\nATOM    140 HD13 LEU A   8      28.883  40.677  23.478  1.00 30.00\\nATOM    141 HD21 LEU A   8      27.213  38.871  21.706  1.00 30.00\\nATOM    142 HD22 LEU A   8      27.242  40.646  21.578  1.00 30.00\\nATOM    143 HD23 LEU A   8      27.583  39.645  20.147  1.00 30.00\\nATOM    144  N   THR A   9      30.991  42.571  17.998  1.00 30.00\\nATOM    145  CA  THR A   9      31.422  43.940  17.553  1.00 30.00\\nATOM    146  C   THR A   9      30.755  44.351  16.277  1.00 30.00\\nATOM    147  O   THR A   9      31.207  45.268  15.566  1.00 30.00\\nATOM    148  CB  THR A   9      32.979  43.918  17.445  1.00 30.00\\nATOM    149  OG1 THR A   9      33.174  43.067  16.265  1.00 30.00\\nATOM    150  CG2 THR A   9      33.657  43.319  18.672  1.00 30.00\\nATOM    151  H   THR A   9      31.394  41.759  17.552  1.00 30.00\\nATOM    152  HA  THR A   9      31.106  44.664  18.305  1.00 30.00\\nATOM    153  HB  THR A   9      33.350  44.936  17.323  1.00 30.00\\nATOM    154  HG1 THR A   9      33.034  43.587  15.470  1.00 30.00\\nATOM    155 HG21 THR A   9      34.738  43.333  18.534  1.00 30.00\\nATOM    156 HG22 THR A   9      33.396  43.904  19.554  1.00 30.00\\nATOM    157 HG23 THR A   9      33.323  42.291  18.807  1.00 30.00\\nATOM    158  N   GLY A  10      29.721  43.673  15.885  1.00 30.00\\nATOM    159  CA  GLY A  10      28.978  43.960  14.678  1.00 30.00\\nATOM    160  C   GLY A  10      29.604  43.507  13.393  1.00 30.00\\nATOM    161  H   GLY A  10      29.431  42.902  16.470  1.00 30.00\\nATOM    162  HA2 GLY A  10      27.994  43.494  14.737  1.00 30.00\\nATOM    163  HA3 GLY A  10      28.820  45.035  14.595  1.00 30.00\\nATOM    164  O   GLY A  10      29.219  43.981  12.301  1.00 30.00\\nATOM    165  OXT GLY A  10      30.479  42.686  13.409  1.00 30.00\\nTER\\nENDMDL\\n\",\"pdb\");\n",
       "\tviewer_17914109386532989.setBackgroundColor(\"white\");\n",
       "\tviewer_17914109386532989.setStyle({},{\"cartoon\": {\"color\": \"spectrum\"}});\n",
       "\tviewer_17914109386532989.addStyle({\"not\": {\"hetflag\": true}},{\"stick\": {\"radius\": 0.08, \"opacity\": 0.55}});\n",
       "\tviewer_17914109386532989.setStyle({\"hetflag\": true},{\"stick\": {\"colorscheme\": \"orangeCarbon\", \"radius\": 0.22}});\n",
       "\tviewer_17914109386532989.setHoverable({},true,\"function(atom,viewer) {\\n        if(!atom.label) {\\n            atom.label = viewer.addLabel(\\n                atom.chain + ':' + atom.resn + '(' + atom.resi + '):' +\\n                atom.atom + '(idx' + atom.serial + ')',\\n                {position: atom, backgroundColor:\\\"white\\\", fontColor:\\\"black\\\"}\\n            );\\n        }\\n    }\",\"function(atom,viewer) {\\n        if(atom.label) {\\n            viewer.removeLabel(atom.label);\\n            delete atom.label;\\n        }\\n    }\");\n",
       "\tviewer_17914109386532989.zoomTo();\n",
       "viewer_17914109386532989.render();\n",
       "});\n",
       "</script>\n",
       "</section>\n",
       "  </div>\n",
       "</div>\n",
       "<script>\n",
       "(() => {\n",
       "  const root = document.getElementById(\"tmol-switch-cd9892fd06a3480aa3a9f5796feb0098\");\n",
       "  const select = document.getElementById(\"tmol-switch-cd9892fd06a3480aa3a9f5796feb0098-select\");\n",
       "  const panels = root.querySelectorAll('.tmol-switch-panel');\n",
       "  select.addEventListener('change', () => {\n",
       "    panels.forEach((panel, index) => {\n",
       "      panel.style.visibility = index === Number(select.value) ? 'visible' : 'hidden';\n",
       "    });\n",
       "    window.dispatchEvent(new Event('resize'));\n",
       "  });\n",
       "})();\n",
       "</script>\n"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "try:\n",
    "    display(\n",
    "        tmol.switchable_view(\n",
    "            {\n",
    "                f\"input ({original_identity})\": pose_stack,\n",
    "                f\"packed ({packed_identity})\": packed_pose,\n",
    "            },\n",
    "            notes={\n",
    "                f\"input ({original_identity})\": f\"weighted score {input_score:.3f}\",\n",
    "                f\"packed ({packed_identity})\": (\n",
    "                    f\"weighted score {packed_score:.3f}; \"\n",
    "                    f\"change {packed_score - input_score:+.3f}\"\n",
    "                ),\n",
    "            },\n",
    "            width=720,\n",
    "            height=400,\n",
    "        )\n",
    "    )\n",
    "except ImportError as exc:\n",
    "    print(\"Interactive packed comparison unavailable:\", exc)\n"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4725f66f",
   "metadata": {},
   "source": [
    "The packed target is either one hydrophobic alphabet member or the retained original LYS. The rest of the sequence and all backbone coordinates remain fixed. The table reports the score change for this packing outcome.\n",
    "\n",
    "## Validation\n",
    "\n",
    "1. Start from `super().block_types_from_original()` so chemical compatibility is preserved.\n",
    "2. Only remove `True` choices; never manufacture a block-type index that was not considered.\n",
    "3. Retain at least one valid choice at every real block.\n",
    "4. Audit identity and rotamer counts before annealing.\n",
    "5. Distinguish deterministic candidate enumeration from stochastic assignment search.\n",
    "6. Verify unchanged identities and coordinates outside the intended region.\n",
    "\n",
    "## Exercises\n",
    "\n",
    "1. Add TYR and TRP to the palette and compare how identity and rotamer counts change.\n",
    "2. Apply `or_expand_chi(0)` only at the target and compare χ-space before and after expansion.\n",
    "3. Pack several identical poses in one batch and summarize the distribution of selected identities without treating CPU and CUDA outcomes as the same protocol.\n",
    "\n",
    "## References\n",
    "\n",
    "- [Tutorial 04 — Packing and a Small Mutation Scan](04_packing_and_mutation_scan.ipynb)\n",
    "- [Tutorial 06 — FastRelax](06_fast_relax.ipynb)\n",
    "- [Packing API](../api/pack.rst)\n",
    "- [Pose API](../api/pose.rst)\n"
   ]
  }
 ],
 "metadata": {
  "accelerator": "GPU",
  "colab": {
   "gpuType": "T4"
  },
  "language_info": {
   "name": "python"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 5
}