| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHLGVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHLGVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6ed0af11c940aa/tmp/folded.pdb (00:12:20)
[INFO] Main: Simulation completed successfully. (00:48:36)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 18 | G | A | -0.5543 | |
| 19 | V | A | 0.6527 | |
| 20 | G | A | -0.4019 | |
| 21 | N | A | -1.2739 | |
| 22 | A | A | -1.1348 | |
| 23 | S | A | -1.2257 | |
| 24 | G | A | -1.4803 | |
| 25 | D | A | -1.7814 | |
| 26 | W | A | -0.8283 | |
| 27 | H | A | -1.4685 | |
| 28 | C | A | -1.1144 | |
| 29 | D | A | -1.9207 | |
| 30 | S | A | -1.0665 | |
| 31 | T | A | -0.5754 | |
| 32 | W | A | -0.6206 | |
| 33 | S | A | -1.2370 | |
| 34 | E | A | -2.5275 | |
| 35 | G | A | -1.9393 | |
| 36 | H | A | -1.6594 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.7043 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -0.9992 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.2513 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 1.0233 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1133 | |
| 49 | T | A | -0.2742 | |
| 50 | Y | A | -0.2477 | |
| 51 | N | A | -0.8599 | |
| 52 | N | A | -1.3041 | |
| 53 | H | A | -0.5786 | |
| 54 | L | A | -0.2038 | |
| 55 | Y | A | -0.6832 | |
| 56 | K | A | -2.0830 | |
| 57 | R | A | -2.2987 | |
| 58 | L | A | -1.1921 | |
| 59 | G | A | -1.1509 | |
| 60 | E | A | -1.2723 | |
| 61 | S | A | -1.1049 | |
| 62 | L | A | -0.5375 | |
| 63 | Q | A | -1.3313 | |
| 64 | S | A | 0.0000 | |
| 65 | N | A | -0.7488 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | 0.0000 | |
| 71 | S | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -1.1246 | |
| 88 | P | A | -1.2470 | |
| 89 | R | A | -2.3203 | |
| 90 | D | A | -1.7505 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -1.7432 | |
| 93 | R | A | -1.9602 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | -1.3752 | |
| 97 | N | A | -2.4372 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -1.1264 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -0.9275 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.6487 | |
| 105 | A | A | -0.9840 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.5517 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.5129 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.2587 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -0.9678 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.5623 | |
| 117 | E | A | -0.1223 | |
| 118 | V | A | 0.4316 | |
| 119 | T | A | -0.0648 | |
| 120 | T | A | -0.9621 | |
| 121 | S | A | -1.6236 | |
| 122 | N | A | -2.1821 | |
| 123 | G | A | -2.0613 | |
| 124 | E | A | -2.5828 | |
| 125 | T | A | -0.9969 | |
| 126 | T | A | 0.0082 | |
| 127 | V | A | 0.9435 | |
| 128 | A | A | -0.0347 | |
| 129 | N | A | -1.1214 | |
| 130 | N | A | -0.6330 | |
| 131 | L | A | 0.2975 | |
| 132 | T | A | 0.0163 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.5424 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.5368 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3499 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.4564 | |
| 142 | S | A | -0.6991 | |
| 143 | Y | A | -0.6120 | |
| 144 | E | A | -0.8927 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | 0.0000 | |
| 151 | A | A | -0.1567 | |
| 152 | G | A | 0.0000 | |
| 153 | Q | A | 0.0000 | |
| 154 | E | A | -1.5503 | |
| 155 | G | A | -0.5434 | |
| 156 | S | A | -0.3315 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.2868 | |
| 159 | P | A | -0.4221 | |
| 160 | F | A | -0.5684 | |
| 161 | P | A | -0.7582 | |
| 162 | N | A | -1.5851 | |
| 163 | D | A | -1.5330 | |
| 164 | V | A | 0.9732 | |
| 165 | F | A | 0.9802 | |
| 166 | M | A | 1.4225 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | 0.0000 | |
| 169 | Q | A | 0.0843 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | L | A | -0.3277 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.8466 | |
| 178 | G | A | -0.8742 | |
| 179 | N | A | -1.0388 | |
| 180 | T | A | -0.9672 | |
| 181 | S | A | -1.2039 | |
| 182 | Q | A | -1.6175 | |
| 183 | Q | A | -1.8054 | |
| 184 | Q | A | -1.5310 | |
| 185 | T | A | -1.4553 | |
| 186 | D | A | -2.0214 | |
| 187 | R | A | -1.1716 | |
| 188 | N | A | 0.0000 | |
| 189 | A | A | -0.3103 | |
| 190 | F | A | 0.1365 | |
| 191 | Y | A | 0.0000 | |
| 192 | C | A | 0.0000 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.5370 | |
| 195 | Y | A | 0.7889 | |
| 196 | F | A | 0.0000 | |
| 197 | P | A | -0.3525 | |
| 198 | S | A | -0.5684 | |
| 199 | Q | A | -0.9399 | |
| 200 | M | A | -0.4089 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.5328 | |
| 203 | T | A | -1.1934 | |
| 204 | G | A | -1.1730 | |
| 205 | N | A | -1.7283 | |
| 206 | N | A | -1.9851 | |
| 207 | F | A | -1.3699 | |
| 208 | E | A | -2.1376 | |
| 209 | I | A | -0.9437 | |
| 210 | T | A | -0.8000 | |
| 211 | Y | A | -0.3927 | |
| 212 | S | A | -0.9810 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -1.8396 | |
| 215 | K | A | -2.0898 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5271 | |
| 218 | F | A | -0.1274 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | 0.0930 | |
| 223 | A | A | 0.0000 | |
| 224 | H | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | Q | A | 0.0000 | |
| 227 | S | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | 0.0000 | |
| 230 | R | A | 0.0000 | |
| 231 | L | A | 0.2458 | |
| 232 | M | A | 0.0000 | |
| 233 | N | A | 0.0000 | |
| 234 | P | A | 0.0000 | |
| 235 | L | A | 0.3232 | |
| 236 | I | A | -0.1896 | |
| 237 | D | A | -0.8603 | |
| 238 | Q | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | G | A | -0.2859 | |
| 243 | L | A | 0.0000 | |
| 244 | Q | A | -0.4289 | |
| 245 | S | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | T | A | -0.5505 | |
| 249 | G | A | -0.7462 | |
| 250 | T | A | -0.7776 | |
| 251 | T | A | -0.7747 | |
| 252 | L | A | -0.7329 | |
| 253 | N | A | -1.5016 | |
| 254 | A | A | -0.9740 | |
| 255 | G | A | -0.9646 | |
| 256 | T | A | -0.7705 | |
| 257 | A | A | -1.1068 | |
| 258 | T | A | -0.3255 | |
| 259 | T | A | 0.0000 | |
| 260 | N | A | -0.0184 | |
| 261 | F | A | 0.0000 | |
| 262 | T | A | -0.6798 | |
| 263 | K | A | -0.8898 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.4045 | |
| 266 | P | A | -0.6953 | |
| 267 | T | A | -0.5998 | |
| 268 | N | A | -0.7263 | |
| 269 | F | A | 0.0000 | |
| 270 | S | A | 0.0000 | |
| 271 | N | A | -0.4809 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | 0.0000 | |
| 274 | K | A | -0.1912 | |
| 275 | N | A | 0.0000 | |
| 276 | W | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | K | A | 0.0000 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | S | A | -1.2947 | |
| 289 | K | A | -0.8069 | |
| 290 | T | A | -0.7117 | |
| 291 | A | A | -0.9568 | |
| 292 | N | A | -2.1224 | |
| 293 | Q | A | -2.2757 | |
| 294 | N | A | 0.0000 | |
| 295 | Y | A | -1.4792 | |
| 296 | K | A | -1.5698 | |
| 297 | I | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | A | A | -0.3755 | |
| 300 | T | A | -0.5561 | |
| 301 | G | A | -0.8431 | |
| 302 | S | A | -0.7084 | |
| 303 | D | A | -0.8898 | |
| 304 | S | A | -0.5469 | |
| 305 | L | A | 0.0000 | |
| 306 | I | A | -0.0969 | |
| 307 | K | A | -0.3557 | |
| 308 | Y | A | 0.0000 | |
| 309 | E | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | H | A | 0.0000 | |
| 312 | S | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | D | A | -0.8258 | |
| 316 | G | A | -0.6926 | |
| 317 | R | A | 0.0000 | |
| 318 | W | A | -0.1227 | |
| 319 | S | A | -0.0194 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.1882 | |
| 331 | G | A | -1.3235 | |
| 332 | P | A | -1.0164 | |
| 333 | A | A | -0.9180 | |
| 334 | D | A | -1.8660 | |
| 335 | S | A | -1.4975 | |
| 336 | K | A | -1.4562 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.1779 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 0.0000 | |
| 344 | F | A | 0.0000 | |
| 345 | A | A | -0.7916 | |
| 346 | G | A | -1.0008 | |
| 347 | P | A | -1.3997 | |
| 348 | K | A | -2.2847 | |
| 349 | Q | A | -1.8697 | |
| 350 | N | A | -2.1583 | |
| 351 | G | A | -1.6474 | |
| 352 | N | A | -1.4414 | |
| 353 | T | A | -0.7348 | |
| 354 | A | A | 0.0000 | |
| 355 | T | A | 0.6233 | |
| 356 | V | A | 1.4761 | |
| 357 | P | A | 0.4819 | |
| 358 | G | A | -0.2019 | |
| 359 | T | A | -0.6254 | |
| 360 | L | A | 0.0000 | |
| 361 | I | A | -0.1016 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | -0.8202 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -1.8985 | |
| 367 | E | A | -1.0606 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.7141 | |
| 370 | A | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | T | A | -0.5614 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | 0.0000 | |
| 377 | D | A | -1.0770 | |
| 378 | M | A | -0.6717 | |
| 379 | W | A | 0.0000 | |
| 380 | G | A | 0.0000 | |
| 381 | N | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | P | A | 0.0000 | |
| 384 | G | A | -1.1200 | |
| 385 | G | A | -1.2471 | |
| 386 | D | A | -2.1016 | |
| 387 | Q | A | 0.0000 | |
| 388 | S | A | -1.9619 | |
| 389 | N | A | -2.4680 | |
| 390 | S | A | -1.5669 | |
| 391 | N | A | -1.8407 | |
| 392 | L | A | -0.5193 | |
| 393 | P | A | 0.0000 | |
| 394 | T | A | -0.4283 | |
| 395 | V | A | -0.5294 | |
| 396 | D | A | -2.0337 | |
| 397 | R | A | -2.4689 | |
| 398 | L | A | 0.0000 | |
| 399 | T | A | -1.0218 | |
| 400 | A | A | -0.2867 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | A | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | P | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | V | A | 0.0000 | |
| 409 | W | A | 0.0000 | |
| 410 | Q | A | 0.0000 | |
| 411 | N | A | -0.3516 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | 0.0000 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | K | A | 0.0000 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.0000 | |
| 426 | H | A | -0.8657 | |
| 427 | T | A | -0.5744 | |
| 428 | D | A | -0.7064 | |
| 429 | G | A | 0.0000 | |
| 430 | H | A | -0.7995 | |
| 431 | F | A | 0.0000 | |
| 432 | H | A | -0.5286 | |
| 433 | P | A | -0.5338 | |
| 434 | S | A | -0.3319 | |
| 435 | P | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | -0.1016 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.6859 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.3041 | |
| 444 | H | A | -1.9427 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.1062 | |
| 455 | P | A | -0.0842 | |
| 456 | V | A | 0.3752 | |
| 457 | P | A | 0.0560 | |
| 458 | A | A | -0.3197 | |
| 459 | N | A | -1.2655 | |
| 460 | P | A | -0.5422 | |
| 461 | A | A | 0.1241 | |
| 462 | T | A | 0.1365 | |
| 463 | T | A | 0.7697 | |
| 464 | F | A | 1.7095 | |
| 465 | S | A | 0.7236 | |
| 466 | S | A | 0.2318 | |
| 467 | T | A | 0.0840 | |
| 468 | P | A | 0.0048 | |
| 469 | V | A | 0.6488 | |
| 470 | N | A | -0.7624 | |
| 471 | S | A | -0.5193 | |
| 472 | F | A | 0.1153 | |
| 473 | I | A | 0.6058 | |
| 474 | T | A | 0.2718 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3143 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1625 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3973 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.9302 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.0696 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -0.9822 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.3665 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -2.3136 | |
| 491 | K | A | -3.4586 | |
| 492 | E | A | -2.7721 | |
| 493 | R | A | -2.9677 | |
| 494 | S | A | -1.5311 | |
| 495 | K | A | -0.6693 | |
| 496 | R | A | -0.1668 | |
| 497 | W | A | 0.9487 | |
| 498 | N | A | -0.1616 | |
| 499 | P | A | -0.5643 | |
| 500 | E | A | -0.7487 | |
| 501 | V | A | -0.5752 | |
| 502 | Q | A | -0.6615 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.8032 | |
| 505 | S | A | -0.8566 | |
| 506 | N | A | -1.5064 | |
| 507 | Y | A | -0.7333 | |
| 508 | G | A | -1.3361 | |
| 509 | Q | A | -1.9348 | |
| 510 | Q | A | -1.5403 | |
| 511 | N | A | -1.6331 | |
| 512 | S | A | -0.4714 | |
| 513 | L | A | 0.8695 | |
| 514 | L | A | 0.7004 | |
| 515 | W | A | 0.3074 | |
| 516 | A | A | 0.1567 | |
| 517 | P | A | -0.7468 | |
| 518 | D | A | -1.1414 | |
| 519 | A | A | -0.7211 | |
| 520 | A | A | -0.8754 | |
| 521 | G | A | -1.4687 | |
| 522 | K | A | -2.2266 | |
| 523 | Y | A | -1.2411 | |
| 524 | T | A | -0.8369 | |
| 525 | E | A | -0.4436 | |
| 526 | P | A | -0.4881 | |
| 527 | R | A | -0.5206 | |
| 528 | A | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.0688 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | Y | A | -0.1168 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | 0.0000 | |
| 536 | H | A | -0.5333 | |
| 537 | H | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 18 | G | B | -0.5600 | |
| 19 | V | B | 0.6602 | |
| 20 | G | B | -0.4015 | |
| 21 | N | B | -1.2678 | |
| 22 | A | B | -1.1136 | |
| 23 | S | B | -1.1974 | |
| 24 | G | B | -1.4085 | |
| 25 | D | B | -1.6780 | |
| 26 | W | B | -0.6383 | |
| 27 | H | B | -1.3297 | |
| 28 | C | B | -0.9708 | |
| 29 | D | B | -1.8446 | |
| 30 | S | B | -1.0467 | |
| 31 | T | B | -0.5879 | |
| 32 | W | B | -0.5951 | |
| 33 | S | B | -1.2326 | |
| 34 | E | B | -2.3866 | |
| 35 | G | B | -1.7571 | |
| 36 | H | B | -1.6084 | |
| 37 | V | B | 0.0000 | |
| 38 | T | B | -0.7507 | |
| 39 | T | B | 0.0000 | |
| 40 | T | B | 0.0000 | |
| 41 | S | B | 0.0000 | |
| 42 | T | B | 0.0000 | |
| 43 | R | B | 0.0000 | |
| 44 | T | B | 0.1763 | |
| 45 | W | B | 0.0000 | |
| 46 | V | B | 0.8792 | |
| 47 | L | B | 0.0000 | |
| 48 | P | B | 0.0867 | |
| 49 | T | B | -0.3047 | |
| 50 | Y | B | -0.2901 | |
| 51 | N | B | -0.8846 | |
| 52 | N | B | -1.4007 | |
| 53 | H | B | -0.7031 | |
| 54 | L | B | -0.4805 | |
| 55 | Y | B | -0.6445 | |
| 56 | K | B | -1.8380 | |
| 57 | R | B | -2.1817 | |
| 58 | L | B | -1.1363 | |
| 59 | G | B | -1.2332 | |
| 60 | E | B | -1.4008 | |
| 61 | S | B | -1.2103 | |
| 62 | L | B | -0.6921 | |
| 63 | Q | B | -1.3906 | |
| 64 | S | B | 0.0000 | |
| 65 | N | B | -0.8067 | |
| 66 | T | B | 0.0000 | |
| 67 | Y | B | 0.0000 | |
| 68 | N | B | 0.0000 | |
| 69 | G | B | 0.0000 | |
| 70 | F | B | 0.0000 | |
| 71 | S | B | 0.0000 | |
| 72 | T | B | 0.0000 | |
| 73 | P | B | 0.0000 | |
| 74 | W | B | 0.0000 | |
| 75 | G | B | 0.0000 | |
| 76 | Y | B | 0.0000 | |
| 77 | F | B | 0.0000 | |
| 78 | D | B | 0.0000 | |
| 79 | F | B | 0.0000 | |
| 80 | N | B | 0.0000 | |
| 81 | R | B | -0.3281 | |
| 82 | F | B | 0.0000 | |
| 83 | H | B | 0.0000 | |
| 84 | C | B | 0.0000 | |
| 85 | H | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | S | B | -1.1022 | |
| 88 | P | B | -1.2341 | |
| 89 | R | B | -2.2916 | |
| 90 | D | B | -1.7017 | |
| 91 | W | B | 0.0000 | |
| 92 | Q | B | -1.6585 | |
| 93 | R | B | -1.7671 | |
| 94 | L | B | 0.0000 | |
| 95 | I | B | 0.0000 | |
| 96 | N | B | -1.1479 | |
| 97 | N | B | -1.9708 | |
| 98 | N | B | 0.0000 | |
| 99 | W | B | -0.8839 | |
| 100 | G | B | 0.0000 | |
| 101 | M | B | 0.0000 | |
| 102 | R | B | -0.9674 | |
| 103 | P | B | 0.0000 | |
| 104 | K | B | -1.6192 | |
| 105 | A | B | -1.1422 | |
| 106 | M | B | 0.0000 | |
| 107 | R | B | -2.2548 | |
| 108 | V | B | 0.0000 | |
| 109 | K | B | -1.6534 | |
| 110 | I | B | 0.0000 | |
| 111 | F | B | 0.0000 | |
| 112 | N | B | -1.2243 | |
| 113 | I | B | 0.0000 | |
| 114 | Q | B | -0.9407 | |
| 115 | V | B | 0.0000 | |
| 116 | K | B | -0.5118 | |
| 117 | E | B | -0.0817 | |
| 118 | V | B | 0.4685 | |
| 119 | T | B | -0.0427 | |
| 120 | T | B | -0.9502 | |
| 121 | S | B | -1.6193 | |
| 122 | N | B | -2.1796 | |
| 123 | G | B | -2.0592 | |
| 124 | E | B | -2.5809 | |
| 125 | T | B | -0.9776 | |
| 126 | T | B | 0.0482 | |
| 127 | V | B | 1.0290 | |
| 128 | A | B | 0.0123 | |
| 129 | N | B | -1.0847 | |
| 130 | N | B | -0.5979 | |
| 131 | L | B | 0.3351 | |
| 132 | T | B | 0.0289 | |
| 133 | S | B | 0.0000 | |
| 134 | T | B | -0.5402 | |
| 135 | V | B | 0.0000 | |
| 136 | Q | B | -0.5561 | |
| 137 | I | B | 0.0000 | |
| 138 | F | B | 0.0000 | |
| 139 | A | B | -0.3621 | |
| 140 | D | B | 0.0000 | |
| 141 | S | B | -0.4539 | |
| 142 | S | B | -0.6906 | |
| 143 | Y | B | -0.5951 | |
| 144 | E | B | -0.8454 | |
| 145 | L | B | 0.0000 | |
| 146 | P | B | 0.0000 | |
| 147 | Y | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | M | B | 0.0000 | |
| 150 | D | B | 0.0000 | |
| 151 | A | B | -0.0916 | |
| 152 | G | B | 0.0000 | |
| 153 | Q | B | 0.0000 | |
| 154 | E | B | -0.9754 | |
| 155 | G | B | -0.4107 | |
| 156 | S | B | -0.3098 | |
| 157 | L | B | 0.0000 | |
| 158 | P | B | -0.3262 | |
| 159 | P | B | -0.4331 | |
| 160 | F | B | -0.3542 | |
| 161 | P | B | -0.7226 | |
| 162 | N | B | -1.6100 | |
| 163 | D | B | -1.6204 | |
| 164 | V | B | 0.8130 | |
| 165 | F | B | 0.0000 | |
| 166 | M | B | 1.1287 | |
| 167 | V | B | 0.0000 | |
| 168 | P | B | 0.0000 | |
| 169 | Q | B | 0.0669 | |
| 170 | Y | B | 0.0000 | |
| 171 | G | B | 0.0000 | |
| 172 | Y | B | 0.0000 | |
| 173 | C | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | L | B | -0.3305 | |
| 176 | V | B | 0.0000 | |
| 177 | T | B | -0.8450 | |
| 178 | G | B | -0.8470 | |
| 179 | N | B | -1.0332 | |
| 180 | T | B | -0.9855 | |
| 181 | S | B | -1.2355 | |
| 182 | Q | B | -1.6343 | |
| 183 | Q | B | -1.8576 | |
| 184 | Q | B | -1.6641 | |
| 185 | T | B | -1.5287 | |
| 186 | D | B | -2.0583 | |
| 187 | R | B | -1.1835 | |
| 188 | N | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.1304 | |
| 191 | Y | B | 0.0000 | |
| 192 | C | B | 0.0000 | |
| 193 | L | B | 0.0000 | |
| 194 | E | B | -0.5150 | |
| 195 | Y | B | 0.7936 | |
| 196 | F | B | 0.0000 | |
| 197 | P | B | -0.3741 | |
| 198 | S | B | -0.6243 | |
| 199 | Q | B | -1.0597 | |
| 200 | M | B | -0.4106 | |
| 201 | L | B | 0.0000 | |
| 202 | R | B | -1.5225 | |
| 203 | T | B | -1.1768 | |
| 204 | G | B | -1.1547 | |
| 205 | N | B | -1.7160 | |
| 206 | N | B | -1.9593 | |
| 207 | F | B | -1.3888 | |
| 208 | E | B | -2.2604 | |
| 209 | I | B | -1.1091 | |
| 210 | T | B | -1.0590 | |
| 211 | Y | B | -0.5559 | |
| 212 | S | B | -1.0754 | |
| 213 | F | B | 0.0000 | |
| 214 | E | B | -1.8170 | |
| 215 | K | B | -2.0872 | |
| 216 | V | B | 0.0000 | |
| 217 | P | B | -0.5449 | |
| 218 | F | B | -0.1798 | |
| 219 | H | B | 0.0000 | |
| 220 | S | B | 0.0000 | |
| 221 | M | B | 0.0000 | |
| 222 | Y | B | 0.0976 | |
| 223 | A | B | 0.0000 | |
| 224 | H | B | 0.0000 | |
| 225 | S | B | 0.0000 | |
| 226 | Q | B | 0.0000 | |
| 227 | S | B | 0.0000 | |
| 228 | L | B | 0.0000 | |
| 229 | D | B | 0.0000 | |
| 230 | R | B | 0.0000 | |
| 231 | L | B | 0.2524 | |
| 232 | M | B | 0.0000 | |
| 233 | N | B | 0.0000 | |
| 234 | P | B | 0.0000 | |
| 235 | L | B | 0.3489 | |
| 236 | I | B | -0.2053 | |
| 237 | D | B | -0.9000 | |
| 238 | Q | B | 0.0000 | |
| 239 | Y | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | W | B | 0.0000 | |
| 242 | G | B | -0.2865 | |
| 243 | L | B | 0.0000 | |
| 244 | Q | B | -0.4367 | |
| 245 | S | B | 0.0000 | |
| 246 | T | B | 0.0000 | |
| 247 | T | B | 0.0000 | |
| 248 | T | B | -0.5472 | |
| 249 | G | B | -0.7430 | |
| 250 | T | B | -0.7721 | |
| 251 | T | B | -0.7643 | |
| 252 | L | B | -0.7315 | |
| 253 | N | B | -1.5164 | |
| 254 | A | B | -0.9676 | |
| 255 | G | B | -0.9610 | |
| 256 | T | B | -0.7695 | |
| 257 | A | B | -1.1043 | |
| 258 | T | B | -0.3252 | |
| 259 | T | B | 0.0000 | |
| 260 | N | B | -0.0206 | |
| 261 | F | B | 0.0000 | |
| 262 | T | B | -0.6977 | |
| 263 | K | B | -0.9184 | |
| 264 | L | B | 0.0000 | |
| 265 | R | B | -1.4573 | |
| 266 | P | B | -0.7184 | |
| 267 | T | B | -0.5954 | |
| 268 | N | B | -0.7426 | |
| 269 | F | B | 0.0000 | |
| 270 | S | B | 0.0000 | |
| 271 | N | B | -0.4923 | |
| 272 | F | B | 0.0000 | |
| 273 | K | B | 0.0000 | |
| 274 | K | B | -0.1924 | |
| 275 | N | B | 0.0000 | |
| 276 | W | B | 0.0000 | |
| 277 | L | B | 0.0000 | |
| 278 | P | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | P | B | 0.0000 | |
| 281 | S | B | 0.0000 | |
| 282 | I | B | 0.0000 | |
| 283 | K | B | 0.0000 | |
| 284 | Q | B | 0.0000 | |
| 285 | Q | B | 0.0000 | |
| 286 | G | B | -0.9106 | |
| 287 | F | B | 0.0000 | |
| 288 | S | B | -1.4227 | |
| 289 | K | B | -0.9028 | |
| 290 | T | B | -0.7619 | |
| 291 | A | B | -0.9628 | |
| 292 | N | B | -2.1204 | |
| 293 | Q | B | -2.2709 | |
| 294 | N | B | 0.0000 | |
| 295 | Y | B | -1.4809 | |
| 296 | K | B | -1.5688 | |
| 297 | I | B | 0.0000 | |
| 298 | P | B | 0.0000 | |
| 299 | A | B | -0.3762 | |
| 300 | T | B | -0.5567 | |
| 301 | G | B | -0.8393 | |
| 302 | S | B | -0.7017 | |
| 303 | D | B | -0.8722 | |
| 304 | S | B | -0.5480 | |
| 305 | L | B | 0.0000 | |
| 306 | I | B | -0.1093 | |
| 307 | K | B | -0.3901 | |
| 308 | Y | B | 0.0000 | |
| 309 | E | B | 0.0000 | |
| 310 | T | B | 0.0000 | |
| 311 | H | B | 0.0000 | |
| 312 | S | B | 0.0000 | |
| 313 | T | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | D | B | -0.8182 | |
| 316 | G | B | -0.6798 | |
| 317 | R | B | 0.0000 | |
| 318 | W | B | -0.1009 | |
| 319 | S | B | -0.0093 | |
| 320 | A | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | T | B | 0.0000 | |
| 323 | P | B | 0.0000 | |
| 324 | G | B | 0.0000 | |
| 325 | P | B | 0.0000 | |
| 326 | P | B | 0.0000 | |
| 327 | M | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | T | B | 0.0000 | |
| 330 | A | B | -1.2697 | |
| 331 | G | B | -1.3627 | |
| 332 | P | B | -1.0411 | |
| 333 | A | B | -0.9987 | |
| 334 | D | B | -1.9570 | |
| 335 | S | B | -1.6488 | |
| 336 | K | B | -1.7775 | |
| 337 | F | B | 0.0000 | |
| 338 | S | B | 0.0000 | |
| 339 | N | B | -0.1824 | |
| 340 | S | B | 0.0000 | |
| 341 | Q | B | 0.0000 | |
| 342 | L | B | 0.0000 | |
| 343 | I | B | 0.0000 | |
| 344 | F | B | 0.0000 | |
| 345 | A | B | -0.7755 | |
| 346 | G | B | -1.0403 | |
| 347 | P | B | -1.4575 | |
| 348 | K | B | -2.3079 | |
| 349 | Q | B | -1.8743 | |
| 350 | N | B | -2.1529 | |
| 351 | G | B | -1.5975 | |
| 352 | N | B | -1.3366 | |
| 353 | T | B | -0.6724 | |
| 354 | A | B | 0.0000 | |
| 355 | T | B | 0.5722 | |
| 356 | V | B | 1.4211 | |
| 357 | P | B | 0.4540 | |
| 358 | G | B | -0.2118 | |
| 359 | T | B | -0.6448 | |
| 360 | L | B | 0.0000 | |
| 361 | I | B | -0.1208 | |
| 362 | F | B | 0.0000 | |
| 363 | T | B | 0.0000 | |
| 364 | S | B | -0.8150 | |
| 365 | E | B | 0.0000 | |
| 366 | E | B | -1.9012 | |
| 367 | E | B | -1.0576 | |
| 368 | L | B | 0.0000 | |
| 369 | A | B | -0.7268 | |
| 370 | A | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | N | B | 0.0000 | |
| 373 | A | B | 0.0000 | |
| 374 | T | B | -0.5981 | |
| 375 | D | B | 0.0000 | |
| 376 | T | B | -0.8017 | |
| 377 | D | B | -1.1784 | |
| 378 | M | B | -0.5457 | |
| 379 | W | B | 0.0000 | |
| 380 | G | B | 0.0000 | |
| 381 | N | B | 0.0000 | |
| 382 | L | B | 0.0000 | |
| 383 | P | B | 0.0000 | |
| 384 | G | B | -1.0472 | |
| 385 | G | B | -1.1662 | |
| 386 | D | B | -1.9671 | |
| 387 | Q | B | 0.0000 | |
| 388 | S | B | -1.9015 | |
| 389 | N | B | -2.4437 | |
| 390 | S | B | -1.5111 | |
| 391 | N | B | -1.7011 | |
| 392 | L | B | -0.5576 | |
| 393 | P | B | 0.0000 | |
| 394 | T | B | -0.4152 | |
| 395 | V | B | -0.3939 | |
| 396 | D | B | -1.7610 | |
| 397 | R | B | -1.8677 | |
| 398 | L | B | 0.0000 | |
| 399 | T | B | -0.8078 | |
| 400 | A | B | -0.2101 | |
| 401 | L | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | A | B | 0.0000 | |
| 404 | V | B | 0.0000 | |
| 405 | P | B | 0.0000 | |
| 406 | G | B | 0.0000 | |
| 407 | M | B | 0.0000 | |
| 408 | V | B | 0.0000 | |
| 409 | W | B | 0.0000 | |
| 410 | Q | B | 0.0000 | |
| 411 | N | B | -0.3403 | |
| 412 | R | B | 0.0000 | |
| 413 | D | B | 0.0000 | |
| 414 | I | B | 0.0000 | |
| 415 | Y | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | Q | B | 0.0000 | |
| 418 | G | B | 0.0000 | |
| 419 | P | B | 0.0000 | |
| 420 | I | B | 0.0000 | |
| 421 | W | B | 0.0000 | |
| 422 | A | B | 0.0000 | |
| 423 | K | B | 0.0000 | |
| 424 | I | B | 0.0000 | |
| 425 | P | B | 0.0000 | |
| 426 | H | B | -0.7605 | |
| 427 | T | B | -0.5578 | |
| 428 | D | B | -0.7350 | |
| 429 | G | B | 0.0000 | |
| 430 | H | B | -0.8164 | |
| 431 | F | B | 0.0000 | |
| 432 | H | B | -0.5478 | |
| 433 | P | B | -0.5226 | |
| 434 | S | B | -0.3302 | |
| 435 | P | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | I | B | 0.0000 | |
| 438 | G | B | 0.0000 | |
| 439 | G | B | -0.1299 | |
| 440 | F | B | 0.0000 | |
| 441 | G | B | -0.6577 | |
| 442 | L | B | 0.0000 | |
| 443 | K | B | -2.1581 | |
| 444 | H | B | -1.8842 | |
| 445 | P | B | 0.0000 | |
| 446 | P | B | 0.0000 | |
| 447 | P | B | 0.0000 | |
| 448 | Q | B | 0.0000 | |
| 449 | I | B | 0.0000 | |
| 450 | F | B | 0.0000 | |
| 451 | I | B | 0.0000 | |
| 452 | K | B | 0.0000 | |
| 453 | N | B | 0.0000 | |
| 454 | T | B | 0.1244 | |
| 455 | P | B | -0.0806 | |
| 456 | V | B | 0.3844 | |
| 457 | P | B | 0.0246 | |
| 458 | A | B | -0.3426 | |
| 459 | N | B | -1.2649 | |
| 460 | P | B | -0.5712 | |
| 461 | A | B | 0.1045 | |
| 462 | T | B | 0.1379 | |
| 463 | T | B | 0.7687 | |
| 464 | F | B | 1.7093 | |
| 465 | S | B | 0.6988 | |
| 466 | S | B | 0.2075 | |
| 467 | T | B | 0.0390 | |
| 468 | P | B | -0.0818 | |
| 469 | V | B | 0.4683 | |
| 470 | N | B | -0.8998 | |
| 471 | S | B | -0.5730 | |
| 472 | F | B | 0.0808 | |
| 473 | I | B | 0.6083 | |
| 474 | T | B | 0.2843 | |
| 475 | Q | B | 0.0000 | |
| 476 | Y | B | 0.3453 | |
| 477 | S | B | 0.0000 | |
| 478 | T | B | 0.1183 | |
| 479 | G | B | 0.0000 | |
| 480 | Q | B | -0.3732 | |
| 481 | V | B | 0.0000 | |
| 482 | S | B | -0.9849 | |
| 483 | V | B | 0.0000 | |
| 484 | Q | B | -1.2652 | |
| 485 | I | B | 0.0000 | |
| 486 | D | B | -1.2160 | |
| 487 | W | B | 0.0000 | |
| 488 | E | B | -1.3669 | |
| 489 | I | B | 0.0000 | |
| 490 | Q | B | -1.9529 | |
| 491 | K | B | -2.6760 | |
| 492 | E | B | -2.3634 | |
| 493 | R | B | -2.7647 | |
| 494 | S | B | -1.4210 | |
| 495 | K | B | -0.6417 | |
| 496 | R | B | -0.1308 | |
| 497 | W | B | 1.0072 | |
| 498 | N | B | -0.1383 | |
| 499 | P | B | -0.5649 | |
| 500 | E | B | -0.7611 | |
| 501 | V | B | -0.6025 | |
| 502 | Q | B | -0.6507 | |
| 503 | F | B | 0.0000 | |
| 504 | T | B | -0.8328 | |
| 505 | S | B | -0.8773 | |
| 506 | N | B | -1.5238 | |
| 507 | Y | B | -0.7522 | |
| 508 | G | B | -1.3355 | |
| 509 | Q | B | -1.9177 | |
| 510 | Q | B | -1.5025 | |
| 511 | N | B | -1.6170 | |
| 512 | S | B | -0.4719 | |
| 513 | L | B | 0.8652 | |
| 514 | L | B | 0.6719 | |
| 515 | W | B | 0.2914 | |
| 516 | A | B | 0.1513 | |
| 517 | P | B | -0.7550 | |
| 518 | D | B | -1.1745 | |
| 519 | A | B | -0.7360 | |
| 520 | A | B | -0.8826 | |
| 521 | G | B | -1.4756 | |
| 522 | K | B | -2.2749 | |
| 523 | Y | B | -1.2325 | |
| 524 | T | B | -0.8525 | |
| 525 | E | B | -0.4765 | |
| 526 | P | B | -0.5464 | |
| 527 | R | B | -0.6107 | |
| 528 | A | B | 0.0000 | |
| 529 | I | B | 0.0000 | |
| 530 | G | B | -0.0768 | |
| 531 | T | B | 0.0000 | |
| 532 | R | B | 0.0000 | |
| 533 | Y | B | -0.0967 | |
| 534 | L | B | 0.0000 | |
| 535 | T | B | 0.0000 | |
| 536 | H | B | -0.5343 | |
| 537 | H | B | 0.0000 | |
| 538 | L | B | 0.0000 | |
| 18 | G | C | -0.5627 | |
| 19 | V | C | 0.6370 | |
| 20 | G | C | -0.4026 | |
| 21 | N | C | -1.2668 | |
| 22 | A | C | -1.1176 | |
| 23 | S | C | -1.2057 | |
| 24 | G | C | -1.3794 | |
| 25 | D | C | -1.5945 | |
| 26 | W | C | -0.4806 | |
| 27 | H | C | -1.0437 | |
| 28 | C | C | -0.7882 | |
| 29 | D | C | -1.7527 | |
| 30 | S | C | -1.0064 | |
| 31 | T | C | -0.5867 | |
| 32 | W | C | -0.6143 | |
| 33 | S | C | -1.2442 | |
| 34 | E | C | -2.5687 | |
| 35 | G | C | -2.0338 | |
| 36 | H | C | -1.7453 | |
| 37 | V | C | 0.0000 | |
| 38 | T | C | -0.7377 | |
| 39 | T | C | 0.0000 | |
| 40 | T | C | 0.0000 | |
| 41 | S | C | 0.0000 | |
| 42 | T | C | 0.0000 | |
| 43 | R | C | 0.0000 | |
| 44 | T | C | 0.3449 | |
| 45 | W | C | 0.0000 | |
| 46 | V | C | 1.0620 | |
| 47 | L | C | 0.0000 | |
| 48 | P | C | 0.1728 | |
| 49 | T | C | -0.3032 | |
| 50 | Y | C | -0.2864 | |
| 51 | N | C | -0.8705 | |
| 52 | N | C | -1.4136 | |
| 53 | H | C | -0.7041 | |
| 54 | L | C | -0.3703 | |
| 55 | Y | C | -0.3201 | |
| 56 | K | C | -1.1653 | |
| 57 | R | C | -1.0707 | |
| 58 | L | C | -0.5365 | |
| 59 | G | C | -0.8817 | |
| 60 | E | C | -1.2381 | |
| 61 | S | C | -1.0843 | |
| 62 | L | C | -0.6400 | |
| 63 | Q | C | -1.3820 | |
| 64 | S | C | 0.0000 | |
| 65 | N | C | -0.7862 | |
| 66 | T | C | 0.0000 | |
| 67 | Y | C | 0.0000 | |
| 68 | N | C | 0.0000 | |
| 69 | G | C | 0.0000 | |
| 70 | F | C | -0.2147 | |
| 71 | S | C | 0.0000 | |
| 72 | T | C | 0.0000 | |
| 73 | P | C | 0.0000 | |
| 74 | W | C | 0.0000 | |
| 75 | G | C | 0.0000 | |
| 76 | Y | C | 0.0000 | |
| 77 | F | C | 0.0000 | |
| 78 | D | C | 0.0000 | |
| 79 | F | C | 0.0000 | |
| 80 | N | C | 0.0000 | |
| 81 | R | C | -0.3307 | |
| 82 | F | C | 0.0000 | |
| 83 | H | C | 0.0000 | |
| 84 | C | C | 0.0000 | |
| 85 | H | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | S | C | -1.1179 | |
| 88 | P | C | -1.2387 | |
| 89 | R | C | -2.3105 | |
| 90 | D | C | -1.7348 | |
| 91 | W | C | 0.0000 | |
| 92 | Q | C | -1.7210 | |
| 93 | R | C | -1.9358 | |
| 94 | L | C | 0.0000 | |
| 95 | I | C | 0.0000 | |
| 96 | N | C | -1.3848 | |
| 97 | N | C | -2.4549 | |
| 98 | N | C | 0.0000 | |
| 99 | W | C | -1.2693 | |
| 100 | G | C | 0.0000 | |
| 101 | M | C | 0.0000 | |
| 102 | R | C | -1.0072 | |
| 103 | P | C | 0.0000 | |
| 104 | K | C | -1.5509 | |
| 105 | A | C | -0.9095 | |
| 106 | M | C | 0.0000 | |
| 107 | R | C | -1.3796 | |
| 108 | V | C | 0.0000 | |
| 109 | K | C | -1.4979 | |
| 110 | I | C | 0.0000 | |
| 111 | F | C | 0.0000 | |
| 112 | N | C | -1.2279 | |
| 113 | I | C | 0.0000 | |
| 114 | Q | C | -0.9415 | |
| 115 | V | C | 0.0000 | |
| 116 | K | C | -0.4550 | |
| 117 | E | C | 0.0357 | |
| 118 | V | C | 0.5438 | |
| 119 | T | C | -0.0195 | |
| 120 | T | C | -0.9565 | |
| 121 | S | C | -1.6331 | |
| 122 | N | C | -2.1836 | |
| 123 | G | C | -2.0631 | |
| 124 | E | C | -2.5866 | |
| 125 | T | C | -0.9770 | |
| 126 | T | C | 0.0706 | |
| 127 | V | C | 1.0859 | |
| 128 | A | C | 0.0572 | |
| 129 | N | C | -1.0594 | |
| 130 | N | C | -0.5925 | |
| 131 | L | C | 0.2479 | |
| 132 | T | C | -0.0303 | |
| 133 | S | C | 0.0000 | |
| 134 | T | C | -0.5658 | |
| 135 | V | C | 0.0000 | |
| 136 | Q | C | -0.5381 | |
| 137 | I | C | 0.0000 | |
| 138 | F | C | 0.0000 | |
| 139 | A | C | -0.3542 | |
| 140 | D | C | 0.0000 | |
| 141 | S | C | -0.4474 | |
| 142 | S | C | -0.6685 | |
| 143 | Y | C | -0.5886 | |
| 144 | E | C | -0.8058 | |
| 145 | L | C | 0.0000 | |
| 146 | P | C | 0.0000 | |
| 147 | Y | C | 0.0000 | |
| 148 | V | C | 0.0000 | |
| 149 | M | C | 0.0000 | |
| 150 | D | C | 0.0000 | |
| 151 | A | C | -0.0929 | |
| 152 | G | C | 0.0000 | |
| 153 | Q | C | 0.0000 | |
| 154 | E | C | -0.9885 | |
| 155 | G | C | -0.3184 | |
| 156 | S | C | -0.2453 | |
| 157 | L | C | 0.0000 | |
| 158 | P | C | -0.1901 | |
| 159 | P | C | -0.4125 | |
| 160 | F | C | -0.4980 | |
| 161 | P | C | -0.6503 | |
| 162 | N | C | -1.4632 | |
| 163 | D | C | -1.2849 | |
| 164 | V | C | 1.1235 | |
| 165 | F | C | 1.0979 | |
| 166 | M | C | 1.5538 | |
| 167 | V | C | 0.0000 | |
| 168 | P | C | 0.0000 | |
| 169 | Q | C | 0.1110 | |
| 170 | Y | C | 0.0000 | |
| 171 | G | C | 0.0000 | |
| 172 | Y | C | 0.0000 | |
| 173 | C | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | L | C | -0.3420 | |
| 176 | V | C | 0.0000 | |
| 177 | T | C | -0.8445 | |
| 178 | G | C | -0.8840 | |
| 179 | N | C | -1.0585 | |
| 180 | T | C | -0.9690 | |
| 181 | S | C | -1.1648 | |
| 182 | Q | C | -1.5123 | |
| 183 | Q | C | -1.7826 | |
| 184 | Q | C | -1.6121 | |
| 185 | T | C | -1.5106 | |
| 186 | D | C | -2.0667 | |
| 187 | R | C | -1.2075 | |
| 188 | N | C | 0.0000 | |
| 189 | A | C | 0.0000 | |
| 190 | F | C | 0.3029 | |
| 191 | Y | C | 0.0000 | |
| 192 | C | C | 0.3195 | |
| 193 | L | C | 0.0000 | |
| 194 | E | C | -0.6712 | |
| 195 | Y | C | 0.7322 | |
| 196 | F | C | 0.0000 | |
| 197 | P | C | -0.3808 | |
| 198 | S | C | -0.5889 | |
| 199 | Q | C | -0.9215 | |
| 200 | M | C | -0.3893 | |
| 201 | L | C | 0.0000 | |
| 202 | R | C | -1.6225 | |
| 203 | T | C | -1.2326 | |
| 204 | G | C | -1.1965 | |
| 205 | N | C | -1.7418 | |
| 206 | N | C | -1.9951 | |
| 207 | F | C | -1.3823 | |
| 208 | E | C | -2.1295 | |
| 209 | I | C | -0.9109 | |
| 210 | T | C | -0.7252 | |
| 211 | Y | C | -0.3182 | |
| 212 | S | C | -0.9202 | |
| 213 | F | C | 0.0000 | |
| 214 | E | C | -1.8050 | |
| 215 | K | C | -2.0562 | |
| 216 | V | C | 0.0000 | |
| 217 | P | C | -0.5871 | |
| 218 | F | C | -0.2636 | |
| 219 | H | C | 0.0000 | |
| 220 | S | C | 0.0000 | |
| 221 | M | C | 0.0000 | |
| 222 | Y | C | 0.0000 | |
| 223 | A | C | 0.0000 | |
| 224 | H | C | 0.0000 | |
| 225 | S | C | 0.0000 | |
| 226 | Q | C | 0.0000 | |
| 227 | S | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | D | C | 0.0000 | |
| 230 | R | C | 0.0000 | |
| 231 | L | C | 0.2458 | |
| 232 | M | C | 0.0000 | |
| 233 | N | C | 0.0000 | |
| 234 | P | C | 0.0000 | |
| 235 | L | C | 0.2904 | |
| 236 | I | C | -0.3395 | |
| 237 | D | C | -1.0666 | |
| 238 | Q | C | 0.0000 | |
| 239 | Y | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | W | C | 0.0000 | |
| 242 | G | C | -0.3263 | |
| 243 | L | C | 0.0000 | |
| 244 | Q | C | -0.4400 | |
| 245 | S | C | 0.0000 | |
| 246 | T | C | 0.0000 | |
| 247 | T | C | 0.0000 | |
| 248 | T | C | -0.5494 | |
| 249 | G | C | -0.7448 | |
| 250 | T | C | -0.7797 | |
| 251 | T | C | -0.7768 | |
| 252 | L | C | -0.7338 | |
| 253 | N | C | -1.5023 | |
| 254 | A | C | -0.9728 | |
| 255 | G | C | -0.9637 | |
| 256 | T | C | -0.7708 | |
| 257 | A | C | -1.1084 | |
| 258 | T | C | -0.3129 | |
| 259 | T | C | 0.0000 | |
| 260 | N | C | -0.0026 | |
| 261 | F | C | 0.0000 | |
| 262 | T | C | -0.7650 | |
| 263 | K | C | -1.0641 | |
| 264 | L | C | 0.0000 | |
| 265 | R | C | -1.5611 | |
| 266 | P | C | -0.6500 | |
| 267 | T | C | -0.5643 | |
| 268 | N | C | -0.6821 | |
| 269 | F | C | 0.0000 | |
| 270 | S | C | 0.0000 | |
| 271 | N | C | -0.4699 | |
| 272 | F | C | 0.0000 | |
| 273 | K | C | 0.0000 | |
| 274 | K | C | -0.1908 | |
| 275 | N | C | 0.0000 | |
| 276 | W | C | 0.0000 | |
| 277 | L | C | 0.0000 | |
| 278 | P | C | 0.0000 | |
| 279 | G | C | 0.0000 | |
| 280 | P | C | 0.0000 | |
| 281 | S | C | 0.0000 | |
| 282 | I | C | 0.0000 | |
| 283 | K | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | Q | C | 0.0000 | |
| 286 | G | C | 0.0000 | |
| 287 | F | C | 0.0000 | |
| 288 | S | C | -1.3183 | |
| 289 | K | C | -0.8373 | |
| 290 | T | C | -0.7319 | |
| 291 | A | C | -0.9636 | |
| 292 | N | C | -2.1175 | |
| 293 | Q | C | -2.2470 | |
| 294 | N | C | 0.0000 | |
| 295 | Y | C | -1.4711 | |
| 296 | K | C | -1.5651 | |
| 297 | I | C | 0.0000 | |
| 298 | P | C | 0.0000 | |
| 299 | A | C | -0.3766 | |
| 300 | T | C | -0.5491 | |
| 301 | G | C | -0.8297 | |
| 302 | S | C | -0.6895 | |
| 303 | D | C | -0.8520 | |
| 304 | S | C | -0.5275 | |
| 305 | L | C | 0.0000 | |
| 306 | I | C | -0.0848 | |
| 307 | K | C | -0.3256 | |
| 308 | Y | C | 0.0000 | |
| 309 | E | C | 0.0000 | |
| 310 | T | C | 0.0000 | |
| 311 | H | C | 0.0000 | |
| 312 | S | C | 0.0000 | |
| 313 | T | C | 0.0000 | |
| 314 | L | C | 0.0000 | |
| 315 | D | C | -0.8744 | |
| 316 | G | C | -0.7575 | |
| 317 | R | C | 0.0000 | |
| 318 | W | C | -0.1236 | |
| 319 | S | C | -0.0175 | |
| 320 | A | C | 0.0000 | |
| 321 | L | C | 0.0000 | |
| 322 | T | C | 0.0000 | |
| 323 | P | C | 0.0000 | |
| 324 | G | C | 0.0000 | |
| 325 | P | C | 0.0000 | |
| 326 | P | C | 0.0000 | |
| 327 | M | C | 0.0000 | |
| 328 | A | C | 0.0000 | |
| 329 | T | C | 0.0000 | |
| 330 | A | C | -1.2089 | |
| 331 | G | C | -1.3380 | |
| 332 | P | C | -1.0198 | |
| 333 | A | C | -0.9165 | |
| 334 | D | C | -1.8619 | |
| 335 | S | C | -1.5156 | |
| 336 | K | C | -1.5210 | |
| 337 | F | C | 0.0000 | |
| 338 | S | C | 0.0000 | |
| 339 | N | C | -0.1720 | |
| 340 | S | C | 0.0000 | |
| 341 | Q | C | 0.0000 | |
| 342 | L | C | 0.0000 | |
| 343 | I | C | 0.0000 | |
| 344 | F | C | 0.0000 | |
| 345 | A | C | -0.7860 | |
| 346 | G | C | -1.0493 | |
| 347 | P | C | -1.4799 | |
| 348 | K | C | -2.3148 | |
| 349 | Q | C | -1.8867 | |
| 350 | N | C | -2.1650 | |
| 351 | G | C | -1.6200 | |
| 352 | N | C | -1.3868 | |
| 353 | T | C | -0.6971 | |
| 354 | A | C | 0.0000 | |
| 355 | T | C | 0.5845 | |
| 356 | V | C | 1.3947 | |
| 357 | P | C | 0.4424 | |
| 358 | G | C | -0.2273 | |
| 359 | T | C | -0.6540 | |
| 360 | L | C | 0.0000 | |
| 361 | I | C | -0.1301 | |
| 362 | F | C | 0.0000 | |
| 363 | T | C | 0.0000 | |
| 364 | S | C | -0.8340 | |
| 365 | E | C | 0.0000 | |
| 366 | E | C | -1.9352 | |
| 367 | E | C | -1.1690 | |
| 368 | L | C | 0.0000 | |
| 369 | A | C | -0.7417 | |
| 370 | A | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | N | C | 0.0000 | |
| 373 | A | C | 0.0000 | |
| 374 | T | C | -0.5551 | |
| 375 | D | C | 0.0000 | |
| 376 | T | C | 0.0000 | |
| 377 | D | C | -1.0678 | |
| 378 | M | C | -0.5202 | |
| 379 | W | C | 0.0000 | |
| 380 | G | C | 0.0000 | |
| 381 | N | C | 0.0000 | |
| 382 | L | C | 0.0000 | |
| 383 | P | C | 0.0000 | |
| 384 | G | C | -1.2963 | |
| 385 | G | C | -1.1336 | |
| 386 | D | C | -1.6525 | |
| 387 | Q | C | 0.0000 | |
| 388 | S | C | -1.8397 | |
| 389 | N | C | -2.4677 | |
| 390 | S | C | -1.5643 | |
| 391 | N | C | -1.7406 | |
| 392 | L | C | -0.4570 | |
| 393 | P | C | 0.0000 | |
| 394 | T | C | -0.4410 | |
| 395 | V | C | -0.5086 | |
| 396 | D | C | -1.9271 | |
| 397 | R | C | -2.0330 | |
| 398 | L | C | 0.0000 | |
| 399 | T | C | -0.8306 | |
| 400 | A | C | -0.2182 | |
| 401 | L | C | 0.0000 | |
| 402 | G | C | 0.0000 | |
| 403 | A | C | 0.0000 | |
| 404 | V | C | 0.0000 | |
| 405 | P | C | 0.0000 | |
| 406 | G | C | 0.0000 | |
| 407 | M | C | 0.0000 | |
| 408 | V | C | 0.0000 | |
| 409 | W | C | 0.0000 | |
| 410 | Q | C | 0.0000 | |
| 411 | N | C | -0.3366 | |
| 412 | R | C | 0.0000 | |
| 413 | D | C | 0.0000 | |
| 414 | I | C | 0.0000 | |
| 415 | Y | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | Q | C | 0.0000 | |
| 418 | G | C | 0.0000 | |
| 419 | P | C | 0.0000 | |
| 420 | I | C | 0.0000 | |
| 421 | W | C | 0.0000 | |
| 422 | A | C | 0.0000 | |
| 423 | K | C | 0.0000 | |
| 424 | I | C | 0.0000 | |
| 425 | P | C | 0.0000 | |
| 426 | H | C | -0.8001 | |
| 427 | T | C | -0.5773 | |
| 428 | D | C | -0.7435 | |
| 429 | G | C | 0.0000 | |
| 430 | H | C | -0.9549 | |
| 431 | F | C | 0.0000 | |
| 432 | H | C | -0.5499 | |
| 433 | P | C | -0.5693 | |
| 434 | S | C | -0.3401 | |
| 435 | P | C | 0.0000 | |
| 436 | L | C | 0.0000 | |
| 437 | I | C | 0.0000 | |
| 438 | G | C | 0.0000 | |
| 439 | G | C | -0.1338 | |
| 440 | F | C | 0.0000 | |
| 441 | G | C | -0.6824 | |
| 442 | L | C | 0.0000 | |
| 443 | K | C | -2.2861 | |
| 444 | H | C | -1.9398 | |
| 445 | P | C | 0.0000 | |
| 446 | P | C | 0.0000 | |
| 447 | P | C | 0.0000 | |
| 448 | Q | C | 0.0000 | |
| 449 | I | C | 0.0000 | |
| 450 | F | C | 0.0000 | |
| 451 | I | C | 0.0000 | |
| 452 | K | C | 0.0000 | |
| 453 | N | C | 0.0000 | |
| 454 | T | C | 0.1181 | |
| 455 | P | C | -0.0823 | |
| 456 | V | C | 0.4006 | |
| 457 | P | C | 0.0213 | |
| 458 | A | C | -0.3413 | |
| 459 | N | C | -1.2626 | |
| 460 | P | C | -0.5771 | |
| 461 | A | C | 0.1039 | |
| 462 | T | C | 0.1364 | |
| 463 | T | C | 0.7685 | |
| 464 | F | C | 1.7095 | |
| 465 | S | C | 0.6986 | |
| 466 | S | C | 0.2065 | |
| 467 | T | C | 0.0379 | |
| 468 | P | C | -0.0848 | |
| 469 | V | C | 0.4564 | |
| 470 | N | C | -0.9128 | |
| 471 | S | C | -0.5799 | |
| 472 | F | C | 0.0745 | |
| 473 | I | C | 0.6670 | |
| 474 | T | C | 0.3306 | |
| 475 | Q | C | 0.0000 | |
| 476 | Y | C | 0.3766 | |
| 477 | S | C | 0.0000 | |
| 478 | T | C | 0.1949 | |
| 479 | G | C | 0.0000 | |
| 480 | Q | C | -0.3404 | |
| 481 | V | C | 0.0000 | |
| 482 | S | C | -0.7699 | |
| 483 | V | C | 0.0000 | |
| 484 | Q | C | -0.8915 | |
| 485 | I | C | 0.0000 | |
| 486 | D | C | -1.0573 | |
| 487 | W | C | 0.0000 | |
| 488 | E | C | -1.5367 | |
| 489 | I | C | 0.0000 | |
| 490 | Q | C | -2.6036 | |
| 491 | K | C | -3.5460 | |
| 492 | E | C | -2.8398 | |
| 493 | R | C | -3.0083 | |
| 494 | S | C | -1.5448 | |
| 495 | K | C | -0.6744 | |
| 496 | R | C | -0.1590 | |
| 497 | W | C | 0.9848 | |
| 498 | N | C | -0.1482 | |
| 499 | P | C | -0.5612 | |
| 500 | E | C | -0.7494 | |
| 501 | V | C | -0.6009 | |
| 502 | Q | C | -0.6732 | |
| 503 | F | C | 0.0000 | |
| 504 | T | C | -0.8254 | |
| 505 | S | C | -0.8721 | |
| 506 | N | C | -1.5207 | |
| 507 | Y | C | -0.7558 | |
| 508 | G | C | -1.3432 | |
| 509 | Q | C | -1.9419 | |
| 510 | Q | C | -1.5583 | |
| 511 | N | C | -1.6567 | |
| 512 | S | C | -0.5253 | |
| 513 | L | C | 0.8312 | |
| 514 | L | C | 0.6416 | |
| 515 | W | C | 0.2738 | |
| 516 | A | C | 0.1271 | |
| 517 | P | C | -0.7811 | |
| 518 | D | C | -1.1968 | |
| 519 | A | C | -0.7480 | |
| 520 | A | C | -0.8896 | |
| 521 | G | C | -1.4849 | |
| 522 | K | C | -2.2245 | |
| 523 | Y | C | -1.2405 | |
| 524 | T | C | -0.8819 | |
| 525 | E | C | -0.4942 | |
| 526 | P | C | -0.5584 | |
| 527 | R | C | -0.6171 | |
| 528 | A | C | 0.0000 | |
| 529 | I | C | 0.0000 | |
| 530 | G | C | -0.0960 | |
| 531 | T | C | 0.0000 | |
| 532 | R | C | 0.0000 | |
| 533 | Y | C | -0.1783 | |
| 534 | L | C | 0.0000 | |
| 535 | T | C | 0.0000 | |
| 536 | H | C | -0.6174 | |
| 537 | H | C | 0.0000 | |
| 538 | L | C | 0.0000 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.2598 | 3.931 | View | CSV | PDB |
| 4.5 | -0.2859 | 3.931 | View | CSV | PDB |
| 5.0 | -0.3175 | 3.931 | View | CSV | PDB |
| 5.5 | -0.3488 | 3.931 | View | CSV | PDB |
| 6.0 | -0.3736 | 3.931 | View | CSV | PDB |
| 6.5 | -0.3883 | 3.931 | View | CSV | PDB |
| 7.0 | -0.3935 | 3.931 | View | CSV | PDB |
| 7.5 | -0.3928 | 3.931 | View | CSV | PDB |
| 8.0 | -0.3887 | 3.931 | View | CSV | PDB |
| 8.5 | -0.3814 | 3.931 | View | CSV | PDB |
| 9.0 | -0.3703 | 3.931 | View | CSV | PDB |