{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "06a51779",
   "metadata": {},
   "source": [
    "# Centre of mass analysis"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "5b674b4d",
   "metadata": {},
   "source": [
    "## Introduction\n",
    "\n",
    "In this notebook we aimed to identify the centre-of-mass (COM) of the TCR framework (Fw) regions and the anchors of the CDR loops. We then investigated the amount of movement these regions undergo between *apo* and *holo* states. We also used these COMs to create an axis of the TCR and measure the angle between both chains of the TCR before determining the angle changes between *apo* and *holo* states."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "c9cd30b7",
   "metadata": {},
   "outputs": [],
   "source": [
    "import os\n",
    "from collections import defaultdict\n",
    "\n",
    "import numpy as np\n",
    "import pandas as pd\n",
    "import seaborn as sns\n",
    "from python_pdb.parsers import parse_pdb_to_pandas\n",
    "\n",
    "from tcr_pmhc_interface_analysis.measurements import get_distance\n",
    "from tcr_pmhc_interface_analysis.processing import annotate_tcr_pmhc_df, find_anchors\n",
    "from tcr_pmhc_interface_analysis.utils import get_coords"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "d76c1da6",
   "metadata": {},
   "outputs": [],
   "source": [
    "DATA_DIR = '../data/processed/apo-holo-tcr-pmhc-class-I'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "704e7645",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>file_name</th>\n",
       "      <th>pdb_id</th>\n",
       "      <th>structure_type</th>\n",
       "      <th>state</th>\n",
       "      <th>alpha_chain</th>\n",
       "      <th>beta_chain</th>\n",
       "      <th>antigen_chain</th>\n",
       "      <th>mhc_chain1</th>\n",
       "      <th>mhc_chain2</th>\n",
       "      <th>cdr_sequences_collated</th>\n",
       "      <th>peptide_sequence</th>\n",
       "      <th>mhc_slug</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1ao7_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>1ao7</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>D</td>\n",
       "      <td>E</td>\n",
       "      <td>C</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLA...</td>\n",
       "      <td>LLFGYPVYV</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>1b0g_C-A-B_pmhc.pdb</td>\n",
       "      <td>1b0g</td>\n",
       "      <td>pmhc</td>\n",
       "      <td>apo</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>NaN</td>\n",
       "      <td>ALWGFFPVL</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>1b0g_F-D-E_pmhc.pdb</td>\n",
       "      <td>1b0g</td>\n",
       "      <td>pmhc</td>\n",
       "      <td>apo</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>F</td>\n",
       "      <td>D</td>\n",
       "      <td>E</td>\n",
       "      <td>NaN</td>\n",
       "      <td>ALWGFFPVL</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>1bd2_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>1bd2</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>D</td>\n",
       "      <td>E</td>\n",
       "      <td>C</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>NSMFDY-ISSIKDK-AAMEGAQKLV-MNHEY-SVGAGI-ASSYPGG...</td>\n",
       "      <td>LLFGYPVYV</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>1bii_P-A-B_pmhc.pdb</td>\n",
       "      <td>1bii</td>\n",
       "      <td>pmhc</td>\n",
       "      <td>apo</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>P</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>NaN</td>\n",
       "      <td>RGPGRAFVTI</td>\n",
       "      <td>h2_dd</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>386</th>\n",
       "      <td>7rtd_C-A-B_pmhc.pdb</td>\n",
       "      <td>7rtd</td>\n",
       "      <td>pmhc</td>\n",
       "      <td>apo</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>C</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>NaN</td>\n",
       "      <td>YLQPRTFLL</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>387</th>\n",
       "      <td>7rtr_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>7rtr</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>D</td>\n",
       "      <td>E</td>\n",
       "      <td>C</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY</td>\n",
       "      <td>YLQPRTFLL</td>\n",
       "      <td>hla_a_02_01</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>388</th>\n",
       "      <td>8gvb_A-B-P-H-L_tcr_pmhc.pdb</td>\n",
       "      <td>8gvb</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>P</td>\n",
       "      <td>H</td>\n",
       "      <td>L</td>\n",
       "      <td>YGATPY-YFSGDTLV-AVGFTGGGNKLT-SEHNR-FQNEAQ-ASSD...</td>\n",
       "      <td>RYPLTFGW</td>\n",
       "      <td>hla_a_24_02</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>389</th>\n",
       "      <td>8gvg_A-B-P-H-L_tcr_pmhc.pdb</td>\n",
       "      <td>8gvg</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>P</td>\n",
       "      <td>H</td>\n",
       "      <td>L</td>\n",
       "      <td>YGATPY-YFSGDTLV-AVGFTGGGNKLT-SEHNR-FQNEAQ-ASSD...</td>\n",
       "      <td>RFPLTFGW</td>\n",
       "      <td>hla_a_24_02</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>390</th>\n",
       "      <td>8gvi_A-B-P-H-L_tcr_pmhc.pdb</td>\n",
       "      <td>8gvi</td>\n",
       "      <td>tcr_pmhc</td>\n",
       "      <td>holo</td>\n",
       "      <td>A</td>\n",
       "      <td>B</td>\n",
       "      <td>P</td>\n",
       "      <td>H</td>\n",
       "      <td>L</td>\n",
       "      <td>YGATPY-YFSGDTLV-AVVFTGGGNKLT-SEHNR-FQNEAQ-ASSL...</td>\n",
       "      <td>RYPLTFGW</td>\n",
       "      <td>hla_a_24_02</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>391 rows × 12 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                       file_name pdb_id structure_type state alpha_chain  \\\n",
       "0    1ao7_D-E-C-A-B_tcr_pmhc.pdb   1ao7       tcr_pmhc  holo           D   \n",
       "1            1b0g_C-A-B_pmhc.pdb   1b0g           pmhc   apo         NaN   \n",
       "2            1b0g_F-D-E_pmhc.pdb   1b0g           pmhc   apo         NaN   \n",
       "3    1bd2_D-E-C-A-B_tcr_pmhc.pdb   1bd2       tcr_pmhc  holo           D   \n",
       "4            1bii_P-A-B_pmhc.pdb   1bii           pmhc   apo         NaN   \n",
       "..                           ...    ...            ...   ...         ...   \n",
       "386          7rtd_C-A-B_pmhc.pdb   7rtd           pmhc   apo         NaN   \n",
       "387  7rtr_D-E-C-A-B_tcr_pmhc.pdb   7rtr       tcr_pmhc  holo           D   \n",
       "388  8gvb_A-B-P-H-L_tcr_pmhc.pdb   8gvb       tcr_pmhc  holo           A   \n",
       "389  8gvg_A-B-P-H-L_tcr_pmhc.pdb   8gvg       tcr_pmhc  holo           A   \n",
       "390  8gvi_A-B-P-H-L_tcr_pmhc.pdb   8gvi       tcr_pmhc  holo           A   \n",
       "\n",
       "    beta_chain antigen_chain mhc_chain1 mhc_chain2  \\\n",
       "0            E             C          A          B   \n",
       "1          NaN             C          A          B   \n",
       "2          NaN             F          D          E   \n",
       "3            E             C          A          B   \n",
       "4          NaN             P          A          B   \n",
       "..         ...           ...        ...        ...   \n",
       "386        NaN             C          A          B   \n",
       "387          E             C          A          B   \n",
       "388          B             P          H          L   \n",
       "389          B             P          H          L   \n",
       "390          B             P          H          L   \n",
       "\n",
       "                                cdr_sequences_collated peptide_sequence  \\\n",
       "0    DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLA...        LLFGYPVYV   \n",
       "1                                                  NaN        ALWGFFPVL   \n",
       "2                                                  NaN        ALWGFFPVL   \n",
       "3    NSMFDY-ISSIKDK-AAMEGAQKLV-MNHEY-SVGAGI-ASSYPGG...        LLFGYPVYV   \n",
       "4                                                  NaN       RGPGRAFVTI   \n",
       "..                                                 ...              ...   \n",
       "386                                                NaN        YLQPRTFLL   \n",
       "387     DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY        YLQPRTFLL   \n",
       "388  YGATPY-YFSGDTLV-AVGFTGGGNKLT-SEHNR-FQNEAQ-ASSD...         RYPLTFGW   \n",
       "389  YGATPY-YFSGDTLV-AVGFTGGGNKLT-SEHNR-FQNEAQ-ASSD...         RFPLTFGW   \n",
       "390  YGATPY-YFSGDTLV-AVVFTGGGNKLT-SEHNR-FQNEAQ-ASSL...         RYPLTFGW   \n",
       "\n",
       "        mhc_slug  \n",
       "0    hla_a_02_01  \n",
       "1    hla_a_02_01  \n",
       "2    hla_a_02_01  \n",
       "3    hla_a_02_01  \n",
       "4          h2_dd  \n",
       "..           ...  \n",
       "386  hla_a_02_01  \n",
       "387  hla_a_02_01  \n",
       "388  hla_a_24_02  \n",
       "389  hla_a_24_02  \n",
       "390  hla_a_24_02  \n",
       "\n",
       "[391 rows x 12 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "apo_holo_summary_df = pd.read_csv(os.path.join(DATA_DIR, 'apo_holo_summary.csv'))\n",
    "apo_holo_summary_df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "14488aea",
   "metadata": {},
   "outputs": [],
   "source": [
    "complexes = [complex_id for complex_id in os.listdir(DATA_DIR)\n",
    "                 if os.path.isdir(os.path.join(DATA_DIR, complex_id))]"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "94a8d6dc",
   "metadata": {},
   "source": [
    "## Computing Measurements"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "ffd1261a",
   "metadata": {},
   "outputs": [],
   "source": [
    "def calculate_angle(vec1, vec2):\n",
    "    '''Caculate the angle between two vectors.'''\n",
    "    return np.arccos(np.dot(vec1, vec2) / (np.linalg.norm(vec1) * np.linalg.norm(vec2)))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "70346472",
   "metadata": {},
   "outputs": [
    {
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       "      <th></th>\n",
       "      <th>complex_id</th>\n",
       "      <th>structure_x_path</th>\n",
       "      <th>structure_y_path</th>\n",
       "      <th>alpha_anchor_com_diff</th>\n",
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       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>3qdg_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>3qdg_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>3qeu_A-B_tcr.pdb</td>\n",
       "      <td>0.645120</td>\n",
       "      <td>0.457327</td>\n",
       "      <td>0.219777</td>\n",
       "      <td>0.166987</td>\n",
       "      <td>-0.033421</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>3qdg_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>3qdg_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>3qeu_D-E_tcr.pdb</td>\n",
       "      <td>0.527090</td>\n",
       "      <td>0.340932</td>\n",
       "      <td>0.164026</td>\n",
       "      <td>0.213055</td>\n",
       "      <td>-0.040502</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>3qdg_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>3qeu_A-B_tcr.pdb</td>\n",
       "      <td>3qeu_D-E_tcr.pdb</td>\n",
       "      <td>0.682250</td>\n",
       "      <td>0.284114</td>\n",
       "      <td>0.334339</td>\n",
       "      <td>0.064055</td>\n",
       "      <td>-0.007081</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>5c0a_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>3utp_D-E_tcr.pdb</td>\n",
       "      <td>3utp_K-L_tcr.pdb</td>\n",
       "      <td>0.304534</td>\n",
       "      <td>0.602875</td>\n",
       "      <td>0.290645</td>\n",
       "      <td>0.338509</td>\n",
       "      <td>0.041175</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>5c0a_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>3utp_D-E_tcr.pdb</td>\n",
       "      <td>5c0a_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>0.292352</td>\n",
       "      <td>0.514781</td>\n",
       "      <td>0.334429</td>\n",
       "      <td>0.270019</td>\n",
       "      <td>0.032863</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>131</th>\n",
       "      <td>5nme_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>5nmd_C-D_tcr.pdb</td>\n",
       "      <td>5nme_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>0.211336</td>\n",
       "      <td>0.712433</td>\n",
       "      <td>0.113214</td>\n",
       "      <td>0.130459</td>\n",
       "      <td>0.030224</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>132</th>\n",
       "      <td>5hhm_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>2vlm_D-E_tcr.pdb</td>\n",
       "      <td>5hhm_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>0.886794</td>\n",
       "      <td>0.410827</td>\n",
       "      <td>0.467935</td>\n",
       "      <td>0.381336</td>\n",
       "      <td>-0.115053</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>133</th>\n",
       "      <td>3kpr_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>1kgc_D-E_tcr.pdb</td>\n",
       "      <td>3kpr_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>0.919506</td>\n",
       "      <td>0.270885</td>\n",
       "      <td>0.383752</td>\n",
       "      <td>0.151581</td>\n",
       "      <td>-0.026228</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>134</th>\n",
       "      <td>1oga_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>1oga_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>2vlm_D-E_tcr.pdb</td>\n",
       "      <td>0.944931</td>\n",
       "      <td>0.542110</td>\n",
       "      <td>0.291887</td>\n",
       "      <td>0.336729</td>\n",
       "      <td>0.107774</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>135</th>\n",
       "      <td>7rtr_D-E-C-A-B_tcr_pmhc</td>\n",
       "      <td>7n1d_A-B_tcr.pdb</td>\n",
       "      <td>7rtr_D-E-C-A-B_tcr_pmhc.pdb</td>\n",
       "      <td>0.642809</td>\n",
       "      <td>0.188609</td>\n",
       "      <td>0.388833</td>\n",
       "      <td>0.291080</td>\n",
       "      <td>0.001583</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>136 rows × 8 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                  complex_id             structure_x_path  \\\n",
       "0    3qdg_D-E-C-A-B_tcr_pmhc  3qdg_D-E-C-A-B_tcr_pmhc.pdb   \n",
       "1    3qdg_D-E-C-A-B_tcr_pmhc  3qdg_D-E-C-A-B_tcr_pmhc.pdb   \n",
       "2    3qdg_D-E-C-A-B_tcr_pmhc             3qeu_A-B_tcr.pdb   \n",
       "3    5c0a_D-E-C-A-B_tcr_pmhc             3utp_D-E_tcr.pdb   \n",
       "4    5c0a_D-E-C-A-B_tcr_pmhc             3utp_D-E_tcr.pdb   \n",
       "..                       ...                          ...   \n",
       "131  5nme_D-E-C-A-B_tcr_pmhc             5nmd_C-D_tcr.pdb   \n",
       "132  5hhm_D-E-C-A-B_tcr_pmhc             2vlm_D-E_tcr.pdb   \n",
       "133  3kpr_D-E-C-A-B_tcr_pmhc             1kgc_D-E_tcr.pdb   \n",
       "134  1oga_D-E-C-A-B_tcr_pmhc  1oga_D-E-C-A-B_tcr_pmhc.pdb   \n",
       "135  7rtr_D-E-C-A-B_tcr_pmhc             7n1d_A-B_tcr.pdb   \n",
       "\n",
       "                structure_y_path  alpha_anchor_com_diff  beta_anchor_com_diff  \\\n",
       "0               3qeu_A-B_tcr.pdb               0.645120              0.457327   \n",
       "1               3qeu_D-E_tcr.pdb               0.527090              0.340932   \n",
       "2               3qeu_D-E_tcr.pdb               0.682250              0.284114   \n",
       "3               3utp_K-L_tcr.pdb               0.304534              0.602875   \n",
       "4    5c0a_D-E-C-A-B_tcr_pmhc.pdb               0.292352              0.514781   \n",
       "..                           ...                    ...                   ...   \n",
       "131  5nme_D-E-C-A-B_tcr_pmhc.pdb               0.211336              0.712433   \n",
       "132  5hhm_D-E-C-A-B_tcr_pmhc.pdb               0.886794              0.410827   \n",
       "133  3kpr_D-E-C-A-B_tcr_pmhc.pdb               0.919506              0.270885   \n",
       "134             2vlm_D-E_tcr.pdb               0.944931              0.542110   \n",
       "135  7rtr_D-E-C-A-B_tcr_pmhc.pdb               0.642809              0.188609   \n",
       "\n",
       "     alpha_fw_com_diff  beta_fw_com_diff  chain_angle_diff  \n",
       "0             0.219777          0.166987         -0.033421  \n",
       "1             0.164026          0.213055         -0.040502  \n",
       "2             0.334339          0.064055         -0.007081  \n",
       "3             0.290645          0.338509          0.041175  \n",
       "4             0.334429          0.270019          0.032863  \n",
       "..                 ...               ...               ...  \n",
       "131           0.113214          0.130459          0.030224  \n",
       "132           0.467935          0.381336         -0.115053  \n",
       "133           0.383752          0.151581         -0.026228  \n",
       "134           0.291887          0.336729          0.107774  \n",
       "135           0.388833          0.291080          0.001583  \n",
       "\n",
       "[136 rows x 8 columns]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "complex_ids = []\n",
    "structure_x_paths = []\n",
    "structure_y_paths = []\n",
    "\n",
    "alpha_anchor_com_diffs = []\n",
    "beta_anchor_com_diffs = []\n",
    "\n",
    "alpha_fw_com_diffs = []\n",
    "beta_fw_com_diffs = []\n",
    "\n",
    "chain_angle_diffs = []\n",
    "\n",
    "for complex_id in complexes:\n",
    "    complex_path = os.path.join(DATA_DIR, complex_id)\n",
    "    complex_pdb_files = [file_ for file_ in os.listdir(complex_path) if file_.endswith('.pdb')]\n",
    "    complex_summary = apo_holo_summary_df[apo_holo_summary_df['file_name'].isin(complex_pdb_files)]\n",
    "\n",
    "    comparison_structures = complex_summary.query(\"structure_type == 'tcr' or state == 'holo'\")\n",
    "    comparisons = pd.merge(comparison_structures, comparison_structures, how='cross')\n",
    "    comparisons['comparison'] = comparisons.apply(lambda row: '-'.join(sorted([row.file_name_x, row.file_name_y])),\n",
    "                                                  axis='columns')\n",
    "    comparisons = comparisons.drop_duplicates('comparison')\n",
    "    comparisons = comparisons.drop('comparison', axis='columns')\n",
    "    comparisons = comparisons.query('file_name_x != file_name_y')\n",
    "    \n",
    "    for _, comparison in comparisons.iterrows():\n",
    "        tcrs = []\n",
    "        for suffix in '_x', '_y':\n",
    "            with open(os.path.join(complex_path, comparison['file_name' + suffix]), 'r') as fh:\n",
    "                structure_df = parse_pdb_to_pandas(fh.read())\n",
    "\n",
    "            chains = comparison.filter(like='chain').filter(regex=f'{suffix}$').replace({np.nan: None}).tolist()\n",
    "            structure_df = annotate_tcr_pmhc_df(structure_df, *chains)\n",
    "\n",
    "            structure_df['backbone'] = structure_df['atom_name'].map(\n",
    "                lambda atom_name: (atom_name == 'N' or atom_name == 'CA' or atom_name == 'C' or atom_name == 'O')\n",
    "            )\n",
    "            tcr_df = structure_df.query(\"chain_type in ['alpha_chain', 'beta_chain']\").copy().reset_index()\n",
    "\n",
    "            tcrs.append(tcr_df)\n",
    "\n",
    "        tcr_x, tcr_y = tcrs\n",
    "\n",
    "         # Compute C.O.Ms and coordinate vectors\n",
    "        calculations = defaultdict(dict)\n",
    "\n",
    "        for label, tcr_df in (('x', tcr_x), ('y', tcr_y)):\n",
    "            for chain_type in ('alpha_chain', 'beta_chain'):\n",
    "                anchors_ca = pd.DataFrame()\n",
    "\n",
    "                for cdr in (1, 2, 3):\n",
    "                    cdr_df = tcr_df.query('chain_type == @chain_type and cdr == @cdr')\n",
    "\n",
    "                    for cdr_anchor in find_anchors(cdr_df, tcr_df):\n",
    "                        anchors_ca = pd.concat([anchors_ca, cdr_anchor.query(\"atom_name == 'CA'\")])\n",
    "\n",
    "                fw_ca_df = tcr_df.query(\"cdr.isnull() and residue_seq_id <= 128 and chain_type == @chain_type and atom_name == 'CA'\")\n",
    "\n",
    "                anchors_com = np.average(get_coords(anchors_ca), axis=0)\n",
    "                fw_com = np.average(get_coords(fw_ca_df), axis=0)\n",
    "\n",
    "                tcr_chain_direction_vec = fw_com - anchors_com\n",
    "\n",
    "                calculations[label][chain_type] = {}\n",
    "\n",
    "                calculations[label][chain_type]['anchors_com'] = anchors_com\n",
    "                calculations[label][chain_type]['fw_com'] = fw_com\n",
    "                calculations[label][chain_type]['direction_vector'] = tcr_chain_direction_vec\n",
    "\n",
    "        # Calculate differences\n",
    "        chain_anchor_com = []\n",
    "        chain_fw_com = []\n",
    "        for chain_type in ('alpha_chain', 'beta_chain'):\n",
    "            chain_anchor_com.append(get_distance(calculations['x'][chain_type]['anchors_com'],\n",
    "                                                 calculations['y'][chain_type]['anchors_com']))\n",
    "\n",
    "            chain_fw_com.append(get_distance(calculations['x'][chain_type]['fw_com'],\n",
    "                                             calculations['y'][chain_type]['fw_com']))\n",
    "\n",
    "\n",
    "        angle_x = calculate_angle(calculations['x']['alpha_chain']['direction_vector'],\n",
    "                                    calculations['x']['beta_chain']['direction_vector'])\n",
    "\n",
    "        angle_y = calculate_angle(calculations['y']['alpha_chain']['direction_vector'],\n",
    "                                     calculations['y']['beta_chain']['direction_vector'])\n",
    "\n",
    "        angle_diff = angle_y - angle_x\n",
    "\n",
    "        # Collect Data\n",
    "        complex_ids.append(complex_id)\n",
    "        structure_x_paths.append(comparison['file_name_x'])\n",
    "        structure_y_paths.append(comparison['file_name_y'])\n",
    "\n",
    "        alpha_anchor_com_diffs.append(chain_anchor_com[0])\n",
    "        beta_anchor_com_diffs.append(chain_anchor_com[1])\n",
    "\n",
    "        alpha_fw_com_diffs.append(chain_fw_com[0])\n",
    "        beta_fw_com_diffs.append(chain_fw_com[1])\n",
    "\n",
    "        chain_angle_diffs.append(angle_diff)\n",
    "\n",
    "results = pd.DataFrame({\n",
    "    'complex_id': complex_ids,\n",
    "    'structure_x_path': structure_x_paths,\n",
    "    'structure_y_path': structure_y_paths,\n",
    "    'alpha_anchor_com_diff': alpha_anchor_com_diffs,\n",
    "    'beta_anchor_com_diff': beta_anchor_com_diffs,\n",
    "    'alpha_fw_com_diff': alpha_fw_com_diffs,\n",
    "    'beta_fw_com_diff': beta_fw_com_diffs, \n",
    "    'chain_angle_diff': chain_angle_diffs,\n",
    "})\n",
    "results"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "3b76ad35",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/var/scratch/bmcmaste/2178229/ipykernel_2172418/2116153506.py:1: FutureWarning: The default value of regex will change from True to False in a future version.\n",
      "  apo_holo_summary_df['ids'] = apo_holo_summary_df['file_name'].str.replace('.pdb', '')\n"
     ]
    }
   ],
   "source": [
    "apo_holo_summary_df['ids'] = apo_holo_summary_df['file_name'].str.replace('.pdb', '')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "c042482b",
   "metadata": {},
   "outputs": [],
   "source": [
    "results = results.merge(apo_holo_summary_df[['ids', 'cdr_sequences_collated', 'mhc_slug', 'peptide_sequence']],\n",
    "                        how='left',\n",
    "                        left_on='complex_id', right_on='ids')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "4fe67e8c",
   "metadata": {},
   "outputs": [],
   "source": [
    "results = results.merge(\n",
    "    apo_holo_summary_df[['file_name', 'structure_type', 'state']],\n",
    "    how='left',\n",
    "    left_on='structure_x_path', right_on='file_name',\n",
    ").merge(\n",
    "    apo_holo_summary_df[['file_name', 'structure_type', 'state']],\n",
    "    how='left',\n",
    "    left_on='structure_y_path', right_on='file_name',\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "a54014bf",
   "metadata": {},
   "outputs": [],
   "source": [
    "results['composite_name'] = results.apply(lambda row: '-'.join(sorted([row.structure_x_path, row.structure_y_path])), axis='columns')\n",
    "results = results.drop_duplicates('composite_name')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "2c390ad0",
   "metadata": {},
   "outputs": [],
   "source": [
    "apo_holo_results = results.query('state_x != state_y')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "cd899b8b",
   "metadata": {},
   "outputs": [],
   "source": [
    "apo_holo_results_norm = apo_holo_results.groupby('cdr_sequences_collated').agg({\n",
    "    'alpha_anchor_com_diff': 'mean',\n",
    "    'beta_anchor_com_diff': 'mean',\n",
    "    'alpha_fw_com_diff': 'mean',\n",
    "    'beta_fw_com_diff': 'mean',\n",
    "    'chain_angle_diff': 'mean',\n",
    "})"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "59bcb9a7",
   "metadata": {},
   "outputs": [],
   "source": [
    "apo_holo_results_norm['chain_angle_diff_deg'] = apo_holo_results_norm['chain_angle_diff'].apply(np.degrees)\n",
    "apo_holo_results_norm['chain_angle_diff_deg_mag'] = apo_holo_results_norm['chain_angle_diff_deg'].apply(np.abs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "8f86b7cc",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>alpha_anchor_com_diff</th>\n",
       "      <th>beta_anchor_com_diff</th>\n",
       "      <th>alpha_fw_com_diff</th>\n",
       "      <th>beta_fw_com_diff</th>\n",
       "      <th>chain_angle_diff</th>\n",
       "      <th>chain_angle_diff_deg</th>\n",
       "      <th>chain_angle_diff_deg_mag</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>cdr_sequences_collated</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRGDQPQH</th>\n",
       "      <td>0.112478</td>\n",
       "      <td>0.221407</td>\n",
       "      <td>0.131706</td>\n",
       "      <td>0.140118</td>\n",
       "      <td>-0.005545</td>\n",
       "      <td>-0.317697</td>\n",
       "      <td>0.317697</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGVSTEAF</th>\n",
       "      <td>1.606143</td>\n",
       "      <td>0.370279</td>\n",
       "      <td>1.293890</td>\n",
       "      <td>0.279836</td>\n",
       "      <td>-0.057826</td>\n",
       "      <td>-3.313194</td>\n",
       "      <td>3.313194</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF</th>\n",
       "      <td>0.626083</td>\n",
       "      <td>0.366441</td>\n",
       "      <td>0.250095</td>\n",
       "      <td>0.178326</td>\n",
       "      <td>-0.001998</td>\n",
       "      <td>-0.114483</td>\n",
       "      <td>0.114483</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY</th>\n",
       "      <td>0.624668</td>\n",
       "      <td>0.204869</td>\n",
       "      <td>0.302308</td>\n",
       "      <td>0.186851</td>\n",
       "      <td>-0.011943</td>\n",
       "      <td>-0.684280</td>\n",
       "      <td>0.684280</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY</th>\n",
       "      <td>0.306039</td>\n",
       "      <td>0.615471</td>\n",
       "      <td>0.133071</td>\n",
       "      <td>0.205778</td>\n",
       "      <td>0.024796</td>\n",
       "      <td>1.420686</td>\n",
       "      <td>1.420686</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAGGRPEQY</th>\n",
       "      <td>0.385751</td>\n",
       "      <td>0.657747</td>\n",
       "      <td>0.300314</td>\n",
       "      <td>0.374858</td>\n",
       "      <td>0.018630</td>\n",
       "      <td>1.067402</td>\n",
       "      <td>1.067402</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY</th>\n",
       "      <td>1.099042</td>\n",
       "      <td>0.294167</td>\n",
       "      <td>0.235768</td>\n",
       "      <td>0.174727</td>\n",
       "      <td>0.103824</td>\n",
       "      <td>5.948649</td>\n",
       "      <td>5.948649</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTGINYGYT</th>\n",
       "      <td>0.596772</td>\n",
       "      <td>0.032190</td>\n",
       "      <td>0.184380</td>\n",
       "      <td>0.213406</td>\n",
       "      <td>-0.037547</td>\n",
       "      <td>-2.151258</td>\n",
       "      <td>2.151258</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDTGELF</th>\n",
       "      <td>0.264265</td>\n",
       "      <td>0.248560</td>\n",
       "      <td>0.103594</td>\n",
       "      <td>0.098554</td>\n",
       "      <td>-0.009340</td>\n",
       "      <td>-0.535154</td>\n",
       "      <td>0.535154</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYLGNTGELF</th>\n",
       "      <td>0.408007</td>\n",
       "      <td>0.394163</td>\n",
       "      <td>0.483043</td>\n",
       "      <td>0.506659</td>\n",
       "      <td>0.044708</td>\n",
       "      <td>2.561604</td>\n",
       "      <td>2.561604</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYVGNTGELF</th>\n",
       "      <td>0.524052</td>\n",
       "      <td>0.405684</td>\n",
       "      <td>0.393972</td>\n",
       "      <td>0.306927</td>\n",
       "      <td>-0.011481</td>\n",
       "      <td>-0.657791</td>\n",
       "      <td>0.657791</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ</th>\n",
       "      <td>0.520622</td>\n",
       "      <td>0.385860</td>\n",
       "      <td>0.254620</td>\n",
       "      <td>0.288849</td>\n",
       "      <td>-0.009649</td>\n",
       "      <td>-0.552852</td>\n",
       "      <td>0.552852</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQEGDTQY</th>\n",
       "      <td>0.570818</td>\n",
       "      <td>0.282032</td>\n",
       "      <td>0.423455</td>\n",
       "      <td>0.414862</td>\n",
       "      <td>0.023776</td>\n",
       "      <td>1.362237</td>\n",
       "      <td>1.362237</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLGHTEVF</th>\n",
       "      <td>0.124907</td>\n",
       "      <td>0.468265</td>\n",
       "      <td>0.138290</td>\n",
       "      <td>0.401072</td>\n",
       "      <td>0.016898</td>\n",
       "      <td>0.968205</td>\n",
       "      <td>0.968205</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKLAKNIQY</th>\n",
       "      <td>0.269449</td>\n",
       "      <td>0.373169</td>\n",
       "      <td>0.259665</td>\n",
       "      <td>0.247023</td>\n",
       "      <td>0.027624</td>\n",
       "      <td>1.582753</td>\n",
       "      <td>1.582753</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQVGDEQY</th>\n",
       "      <td>0.194964</td>\n",
       "      <td>0.279496</td>\n",
       "      <td>0.157453</td>\n",
       "      <td>0.355964</td>\n",
       "      <td>0.016874</td>\n",
       "      <td>0.966819</td>\n",
       "      <td>0.966819</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY</th>\n",
       "      <td>0.409381</td>\n",
       "      <td>0.249897</td>\n",
       "      <td>0.205705</td>\n",
       "      <td>0.286431</td>\n",
       "      <td>-0.055766</td>\n",
       "      <td>-3.195168</td>\n",
       "      <td>3.195168</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY</th>\n",
       "      <td>1.003777</td>\n",
       "      <td>0.509446</td>\n",
       "      <td>0.331727</td>\n",
       "      <td>0.334128</td>\n",
       "      <td>0.058476</td>\n",
       "      <td>3.350441</td>\n",
       "      <td>3.350441</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSYNEQF</th>\n",
       "      <td>1.032154</td>\n",
       "      <td>1.282186</td>\n",
       "      <td>0.435426</td>\n",
       "      <td>0.393399</td>\n",
       "      <td>0.066787</td>\n",
       "      <td>3.826598</td>\n",
       "      <td>3.826598</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLGQAYEQY</th>\n",
       "      <td>0.713302</td>\n",
       "      <td>0.195773</td>\n",
       "      <td>0.230770</td>\n",
       "      <td>0.110227</td>\n",
       "      <td>-0.002818</td>\n",
       "      <td>-0.161464</td>\n",
       "      <td>0.161464</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY</th>\n",
       "      <td>0.304694</td>\n",
       "      <td>0.460448</td>\n",
       "      <td>0.099579</td>\n",
       "      <td>0.079669</td>\n",
       "      <td>0.006357</td>\n",
       "      <td>0.364241</td>\n",
       "      <td>0.364241</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAGGADTQY</th>\n",
       "      <td>0.796027</td>\n",
       "      <td>0.388025</td>\n",
       "      <td>0.043012</td>\n",
       "      <td>0.054271</td>\n",
       "      <td>0.112168</td>\n",
       "      <td>6.426748</td>\n",
       "      <td>6.426748</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                                                    alpha_anchor_com_diff  \\\n",
       "cdr_sequences_collated                                                      \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...               0.112478   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...               1.606143   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF                0.626083   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY                   0.624668   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY               0.306039   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...               0.385751   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY                 1.099042   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...               0.596772   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...               0.264265   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...               0.408007   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...               0.524052   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ               0.520622   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...               0.570818   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...               0.124907   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...               0.269449   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...               0.194964   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY                   0.409381   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY                1.003777   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...               1.032154   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...               0.713302   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY                0.304694   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...               0.796027   \n",
       "\n",
       "                                                    beta_anchor_com_diff  \\\n",
       "cdr_sequences_collated                                                     \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...              0.221407   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...              0.370279   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF               0.366441   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY                  0.204869   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY              0.615471   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...              0.657747   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY                0.294167   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...              0.032190   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...              0.248560   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...              0.394163   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...              0.405684   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ              0.385860   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...              0.282032   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...              0.468265   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...              0.373169   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...              0.279496   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY                  0.249897   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY               0.509446   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...              1.282186   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...              0.195773   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY               0.460448   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...              0.388025   \n",
       "\n",
       "                                                    alpha_fw_com_diff  \\\n",
       "cdr_sequences_collated                                                  \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...           0.131706   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...           1.293890   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF            0.250095   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY               0.302308   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY           0.133071   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...           0.300314   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY             0.235768   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...           0.184380   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...           0.103594   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...           0.483043   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...           0.393972   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ           0.254620   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...           0.423455   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...           0.138290   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...           0.259665   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...           0.157453   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY               0.205705   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY            0.331727   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...           0.435426   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...           0.230770   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY            0.099579   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...           0.043012   \n",
       "\n",
       "                                                    beta_fw_com_diff  \\\n",
       "cdr_sequences_collated                                                 \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...          0.140118   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...          0.279836   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF           0.178326   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY              0.186851   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY          0.205778   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...          0.374858   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY            0.174727   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...          0.213406   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...          0.098554   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...          0.506659   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...          0.306927   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ          0.288849   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...          0.414862   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...          0.401072   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...          0.247023   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...          0.355964   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY              0.286431   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY           0.334128   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...          0.393399   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...          0.110227   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY           0.079669   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...          0.054271   \n",
       "\n",
       "                                                    chain_angle_diff  \\\n",
       "cdr_sequences_collated                                                 \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...         -0.005545   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...         -0.057826   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF          -0.001998   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY             -0.011943   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY          0.024796   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...          0.018630   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY            0.103824   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...         -0.037547   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...         -0.009340   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...          0.044708   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...         -0.011481   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ         -0.009649   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...          0.023776   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...          0.016898   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...          0.027624   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...          0.016874   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY             -0.055766   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY           0.058476   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...          0.066787   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...         -0.002818   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY           0.006357   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...          0.112168   \n",
       "\n",
       "                                                    chain_angle_diff_deg  \\\n",
       "cdr_sequences_collated                                                     \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...             -0.317697   \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...             -3.313194   \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF              -0.114483   \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY                 -0.684280   \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY              1.420686   \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...              1.067402   \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY                5.948649   \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...             -2.151258   \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...             -0.535154   \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...              2.561604   \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...             -0.657791   \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ             -0.552852   \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...              1.362237   \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...              0.968205   \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...              1.582753   \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...              0.966819   \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY                 -3.195168   \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY               3.350441   \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...              3.826598   \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...             -0.161464   \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY               0.364241   \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...              6.426748   \n",
       "\n",
       "                                                    chain_angle_diff_deg_mag  \n",
       "cdr_sequences_collated                                                        \n",
       "ATGYPS-ATKADDK-ALSDPVNDMR-SGHAT-FQNNGV-ASSLRGRG...                  0.317697  \n",
       "DRGSQS-IYSNGD-ALTRGPGNQFY-SGHVS-FNYEAQ-ASSSPGGV...                  3.313194  \n",
       "DRGSQS-IYSNGD-AVNFGGGKLI-MRHNA-SNTAGT-ASSLSFGTEAF                   0.114483  \n",
       "DRGSQS-IYSNGD-AVNRDDKII-SEHNR-FQNEAQ-ASSPDIEQY                      0.684280  \n",
       "DRGSQS-IYSNGD-AVRTNSGYALN-QGHDT-YYEEEE-ASSDTVSYEQY                  1.420686  \n",
       "DRGSQS-IYSNGD-AVTTDSWGKLQ-MNHEY-SVGAGI-ASRPGLAG...                  1.067402  \n",
       "DRGSQS-IYSNGD-GTYNQGGKLI-MNHEY-SMNVEV-ASSGASHEQY                    5.948649  \n",
       "DSAIYN-IQSSQRE-AQLNQAGTALI-MNHEY-SVGAGI-ASSYGTG...                  2.151258  \n",
       "DSAIYN-IQSSQRE-AVRMDSSYKLI-SEHNR-FQNEAQ-ASSSWDT...                  0.535154  \n",
       "DSAIYN-IQSSQRE-AVRPLLDGTYIPT-MNHEY-SVGAGT-ASSYL...                  2.561604  \n",
       "DSAIYN-IQSSQRE-AVRPTSGGSYIPT-MNHEY-SVGAGI-ASSYV...                  0.657791  \n",
       "FLGSQS-TYREGD-AVNDGGRLT-GTSNPN-WGPFG-AWSETGLGMGGWQ                  0.552852  \n",
       "NIATNDY-GYKTK-LVGEILDNFNKFY-MDHEN-SYDVKM-ASSQRQ...                  1.362237  \n",
       "NSAFDY-ILSVSNK-AASASFGDNSKLI-MSHET-SYDVDS-ASSLG...                  0.968205  \n",
       "NSAFQY-TYSSGN-AMRGDSSYKLI-SGHDY-FNNNVP-ASSLWEKL...                  1.582753  \n",
       "NSASQS-VYSSG-VVQPGGYQKVT-MNHNS-SASEGT-ASSEGLWQV...                  0.966819  \n",
       "NSASQS-VYSSG-VVRAGKLI-MNHEY-SVGEGT-ASGQGNFDIQY                      3.195168  \n",
       "SVFSS-VVTGGEV-AGAGSQGNLI-LNHDA-SQIVND-ASSSRSSYEQY                   3.350441  \n",
       "TISGNEY-GLKNN-IVWGGYQKVT-SEHNR-FQNEAQ-ASRYRDDSY...                  3.826598  \n",
       "TISGTDY-GLTSN-ILPLAGGTSYGKLT-SGHVS-FQNEAQ-ASSLG...                  0.161464  \n",
       "YSATPY-YYSGDPVV-AVSGFASALT-NNHNN-SYGAGS-ASGGGGTLY                   0.364241  \n",
       "YSGSPE-HISR-ALSGFNNAGNMLT-SGHAT-FQNNGV-ASSLGGAG...                  6.426748  "
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "apo_holo_results_norm"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4ca1f98b",
   "metadata": {},
   "source": [
    "## Visualizing Results"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "9bffd877",
   "metadata": {},
   "source": [
    "### Changes in Framework (Fw) region and Loop Anchor Centre of Masses (COM)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "130878c7",
   "metadata": {},
   "outputs": [],
   "source": [
    "coms = apo_holo_results_norm.melt(value_vars=['alpha_anchor_com_diff', 'beta_anchor_com_diff', 'alpha_fw_com_diff', 'beta_fw_com_diff'],\n",
    "                                  var_name='location',\n",
    "                                  value_name='com_diff')\n",
    "\n",
    "coms['chain_type'] = coms['location'].map(lambda location: location.split('_')[0])\n",
    "coms['location'] = coms['location'].map(lambda location: location.split('_')[1])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "a31438ae",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<AxesSubplot: xlabel='location', ylabel='com_diff'>"
      ]
     },
     "execution_count": 16,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "sns.boxplot(coms, y='com_diff', x='location', hue='chain_type')"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "c348b94d",
   "metadata": {},
   "source": [
    "There is slight movement between the COMs but not very much."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "6679b2fd",
   "metadata": {},
   "source": [
    "### Changes in angle between $\\alpha$- and $\\beta$- chain"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "7e2f5e37",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "count    22.000000\n",
       "mean      0.014409\n",
       "std       0.043607\n",
       "min      -0.057826\n",
       "25%      -0.009572\n",
       "50%       0.011616\n",
       "75%       0.026917\n",
       "max       0.112168\n",
       "Name: chain_angle_diff, dtype: float64"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "sns.boxplot(apo_holo_results_norm, y='chain_angle_diff')\n",
    "apo_holo_results_norm['chain_angle_diff'].describe()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "2a3e0e6e",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "count    22.000000\n",
       "mean      0.825593\n",
       "std       2.498524\n",
       "min      -3.313194\n",
       "25%      -0.548427\n",
       "50%       0.665530\n",
       "75%       1.542237\n",
       "max       6.426748\n",
       "Name: chain_angle_diff_deg, dtype: float64"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "sns.boxplot(apo_holo_results_norm, y='chain_angle_diff_deg')\n",
    "apo_holo_results_norm['chain_angle_diff_deg'].describe()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "d9bd4723",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "count    22.000000\n",
       "mean      1.887715\n",
       "std       1.795418\n",
       "min       0.114483\n",
       "25%       0.579086\n",
       "50%       1.214819\n",
       "75%       3.036777\n",
       "max       6.426748\n",
       "Name: chain_angle_diff_deg_mag, dtype: float64"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 640x480 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "sns.boxplot(apo_holo_results_norm, y='chain_angle_diff_deg_mag')\n",
    "apo_holo_results_norm['chain_angle_diff_deg_mag'].describe()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f72cc99a",
   "metadata": {},
   "source": [
    "From these plots, it does not seem that their is a lot of angular change between domains."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "00c5865f",
   "metadata": {},
   "source": [
    "## Conclusion\n",
    "\n",
    "Based on the results of this analysis, the TCR Fw region remains fairly static between *apo* and *holo*."
   ]
  }
 ],
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