| Chain sequence(s) |
A: AYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFSNVTWFHFDNPVLPFNDGVYFASTNIIRGWIFGTTLDSKTQSLLIVNNATNVVIKVCEFQFCNDPFLGEFRVYSSANNCTFEYVSQPFLKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQTLLALHRGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETKCTLKSFTVEKGIYQTSNFRVQPTESIVRLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSYNYLYRPLQSYGFQPTVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVNFNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITPGTNTSNQVAVLYQDVNCTEVSNVFQTRAGCLIGAEHVNNSYECDIPIGAGICAVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTISVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQEVFAQVKQIYKTPPIKDFGGFNFSQILPDPSKRSFIEDLLFNKVTLQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLNDILSRLDPPEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPAICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDPLQPELD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | Yes |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] CABS: Running CABS flex simulation (00:16:50)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (08:18:11)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (08:18:40)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (08:19:04)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (08:19:29)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (08:19:54)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (08:20:19)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (08:20:43)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (08:21:07)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (08:21:32)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (08:21:56)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (08:22:21)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (08:22:46)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (08:23:10)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (08:24:10)
[INFO] Movie: Creting movie with webm format (08:43:27)
[INFO] Main: Simulation completed successfully. (08:43:55)
|
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 | |
| 27 | A | A | 0.4417 | |
| 28 | Y | A | 0.6410 | |
| 29 | T | A | -0.6866 | |
| 30 | N | A | -0.7786 | |
| 31 | S | A | 0.0000 | |
| 32 | F | A | 2.2696 | |
| 33 | T | A | 1.3618 | |
| 34 | R | A | 0.0000 | |
| 35 | G | A | -0.3205 | |
| 36 | V | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | Y | A | 0.0000 | |
| 39 | P | A | -2.0436 | |
| 40 | D | A | -2.0634 | |
| 41 | K | A | -1.2472 | |
| 42 | V | A | -0.2118 | |
| 43 | F | A | -0.0724 | |
| 44 | R | A | -0.8881 | |
| 45 | S | A | -0.3843 | |
| 46 | S | A | 0.0994 | |
| 47 | V | A | 0.9584 | |
| 48 | L | A | 0.1673 | |
| 49 | H | A | 0.0000 | |
| 50 | S | A | -0.3640 | |
| 51 | T | A | -0.7472 | |
| 52 | Q | A | -1.2538 | |
| 53 | D | A | 0.0000 | |
| 54 | L | A | -0.3899 | |
| 55 | F | A | 0.0000 | |
| 56 | L | A | 0.0000 | |
| 57 | P | A | 0.6416 | |
| 58 | F | A | 1.6726 | |
| 59 | F | A | 2.5559 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -0.6025 | |
| 62 | V | A | 0.0000 | |
| 63 | T | A | 0.3090 | |
| 64 | W | A | 0.9032 | |
| 65 | F | A | 0.9914 | |
| 66 | H | A | -0.6543 | |
| 79 | F | A | 0.3162 | |
| 80 | D | A | -1.2547 | |
| 81 | N | A | 0.0000 | |
| 82 | P | A | 0.0000 | |
| 83 | V | A | 1.6767 | |
| 84 | L | A | 0.0000 | |
| 85 | P | A | 0.0163 | |
| 86 | F | A | 0.0000 | |
| 87 | N | A | -1.5136 | |
| 88 | D | A | -1.1520 | |
| 89 | G | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | F | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 99 | N | A | -1.7373 | |
| 100 | I | A | -0.4830 | |
| 101 | I | A | -0.0553 | |
| 102 | R | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | W | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | F | A | 0.0000 | |
| 107 | G | A | 0.0000 | |
| 108 | T | A | 0.0000 | |
| 109 | T | A | -0.6989 | |
| 110 | L | A | -0.9334 | |
| 111 | D | A | -2.0580 | |
| 112 | S | A | -1.4825 | |
| 113 | K | A | -1.3235 | |
| 114 | T | A | -0.6939 | |
| 115 | Q | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | V | A | 0.0000 | |
| 121 | N | A | 0.0000 | |
| 122 | N | A | -0.6997 | |
| 123 | A | A | -0.3995 | |
| 124 | T | A | -0.1653 | |
| 125 | N | A | -0.8085 | |
| 126 | V | A | 0.0000 | |
| 127 | V | A | 1.0604 | |
| 128 | I | A | 0.0000 | |
| 129 | K | A | -0.1023 | |
| 130 | V | A | 0.0000 | |
| 131 | C | A | 0.0000 | |
| 132 | E | A | -0.3179 | |
| 133 | F | A | 1.0818 | |
| 134 | Q | A | 0.0355 | |
| 135 | F | A | 0.8889 | |
| 136 | C | A | 0.7964 | |
| 137 | N | A | -0.0591 | |
| 138 | D | A | -0.6025 | |
| 139 | P | A | -0.4631 | |
| 140 | F | A | 0.0000 | |
| 141 | L | A | 1.1337 | |
| 142 | G | A | -0.2354 | |
| 156 | E | A | -1.4117 | |
| 157 | F | A | -0.4215 | |
| 158 | R | A | -0.6158 | |
| 159 | V | A | 0.5016 | |
| 160 | Y | A | 1.2266 | |
| 161 | S | A | 0.7416 | |
| 162 | S | A | -0.1966 | |
| 163 | A | A | -0.3612 | |
| 164 | N | A | -1.2807 | |
| 165 | N | A | -1.8792 | |
| 166 | C | A | -1.0534 | |
| 167 | T | A | -0.8207 | |
| 168 | F | A | 0.0000 | |
| 169 | E | A | -0.8122 | |
| 170 | Y | A | 1.4437 | |
| 171 | V | A | 2.0557 | |
| 172 | S | A | 0.8649 | |
| 173 | Q | A | 0.0000 | |
| 174 | P | A | 0.1236 | |
| 175 | F | A | 0.0815 | |
| 176 | L | A | 0.4693 | |
| 187 | K | A | -1.5978 | |
| 188 | N | A | -1.4966 | |
| 189 | L | A | 0.0000 | |
| 190 | R | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | F | A | 0.0000 | |
| 193 | V | A | 0.0000 | |
| 194 | F | A | 0.0000 | |
| 195 | K | A | 0.0000 | |
| 196 | N | A | 0.0000 | |
| 197 | I | A | -0.0467 | |
| 198 | D | A | -1.4151 | |
| 199 | G | A | -0.7608 | |
| 200 | Y | A | -0.2954 | |
| 201 | F | A | 0.0000 | |
| 202 | K | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | Y | A | 0.0000 | |
| 205 | S | A | -0.6168 | |
| 206 | K | A | -1.1515 | |
| 207 | H | A | -1.2952 | |
| 208 | T | A | 0.0000 | |
| 209 | P | A | -0.9865 | |
| 210 | I | A | -0.6175 | |
| 211 | N | A | -0.8961 | |
| 212 | L | A | -0.2199 | |
| 213 | V | A | 0.0000 | |
| 214 | R | A | -2.5575 | |
| 215 | D | A | -2.4073 | |
| 216 | L | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | Q | A | -0.3666 | |
| 219 | G | A | -0.2145 | |
| 220 | F | A | 0.0000 | |
| 221 | S | A | -0.8501 | |
| 222 | A | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | E | A | -1.9972 | |
| 225 | P | A | -1.5627 | |
| 226 | L | A | -0.6642 | |
| 227 | V | A | -0.4363 | |
| 228 | D | A | -1.7091 | |
| 229 | L | A | 0.0000 | |
| 230 | P | A | -0.5024 | |
| 231 | I | A | -0.0306 | |
| 232 | G | A | 0.0000 | |
| 233 | I | A | -0.1915 | |
| 234 | N | A | -0.6829 | |
| 235 | I | A | 0.0000 | |
| 236 | T | A | -0.7100 | |
| 237 | R | A | -0.4486 | |
| 238 | F | A | 0.0000 | |
| 239 | Q | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | L | A | 0.2484 | |
| 245 | H | A | -1.3251 | |
| 246 | R | A | -1.9439 | |
| 261 | G | A | -1.2423 | |
| 262 | A | A | -0.6584 | |
| 263 | A | A | 0.0000 | |
| 264 | A | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | Y | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | G | A | 0.0000 | |
| 269 | Y | A | 0.5385 | |
| 270 | L | A | 0.0000 | |
| 271 | Q | A | -1.0439 | |
| 272 | P | A | -1.0789 | |
| 273 | R | A | -1.0614 | |
| 274 | T | A | -0.7903 | |
| 275 | F | A | 0.0000 | |
| 276 | L | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | K | A | -1.7909 | |
| 279 | Y | A | -1.2238 | |
| 280 | N | A | -1.6621 | |
| 281 | E | A | -2.1273 | |
| 282 | N | A | -2.4388 | |
| 283 | G | A | -1.7099 | |
| 284 | T | A | -1.8562 | |
| 285 | I | A | 0.0000 | |
| 286 | T | A | -1.5546 | |
| 287 | D | A | -2.2040 | |
| 288 | A | A | -1.1323 | |
| 289 | V | A | -0.7140 | |
| 290 | D | A | -0.2591 | |
| 291 | C | A | 0.0000 | |
| 292 | A | A | 0.1742 | |
| 293 | L | A | 1.0964 | |
| 294 | D | A | 0.0026 | |
| 295 | P | A | 0.0559 | |
| 296 | L | A | 0.8203 | |
| 297 | S | A | 0.0000 | |
| 298 | E | A | -0.1570 | |
| 299 | T | A | 0.0000 | |
| 300 | K | A | -0.1141 | |
| 301 | C | A | -0.0220 | |
| 302 | T | A | 0.1174 | |
| 303 | L | A | 0.4301 | |
| 304 | K | A | -0.1795 | |
| 305 | S | A | 0.2121 | |
| 306 | F | A | 0.3401 | |
| 307 | T | A | 0.3985 | |
| 308 | V | A | 0.7109 | |
| 309 | E | A | -1.1122 | |
| 310 | K | A | -1.9611 | |
| 311 | G | A | -1.0800 | |
| 312 | I | A | 0.2366 | |
| 313 | Y | A | 0.2162 | |
| 314 | Q | A | -0.9273 | |
| 315 | T | A | -0.5336 | |
| 316 | S | A | -0.2998 | |
| 317 | N | A | -0.5788 | |
| 318 | F | A | 1.5027 | |
| 319 | R | A | 0.5701 | |
| 320 | V | A | 1.8668 | |
| 321 | Q | A | 0.1311 | |
| 322 | P | A | -0.7383 | |
| 323 | T | A | -1.3285 | |
| 324 | E | A | -1.7096 | |
| 325 | S | A | -1.1179 | |
| 326 | I | A | 0.0000 | |
| 327 | V | A | 0.0000 | |
| 328 | R | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | C | A | 0.0000 | |
| 337 | P | A | -0.7266 | |
| 338 | F | A | 0.0000 | |
| 339 | G | A | -0.9447 | |
| 340 | E | A | -1.1894 | |
| 341 | V | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | N | A | -0.4679 | |
| 344 | A | A | -0.3348 | |
| 345 | T | A | -0.7663 | |
| 346 | R | A | -1.1104 | |
| 347 | F | A | 1.1675 | |
| 348 | A | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | V | A | 0.0000 | |
| 351 | Y | A | 2.1293 | |
| 352 | A | A | 1.2227 | |
| 353 | W | A | 1.1847 | |
| 354 | N | A | 0.2704 | |
| 355 | R | A | 0.0000 | |
| 356 | K | A | 0.0000 | |
| 357 | R | A | -1.2526 | |
| 358 | I | A | -1.0191 | |
| 359 | S | A | -1.0745 | |
| 360 | N | A | -1.4287 | |
| 361 | C | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | A | A | 0.0000 | |
| 364 | D | A | 0.0000 | |
| 365 | Y | A | 0.0000 | |
| 366 | S | A | 0.1231 | |
| 367 | V | A | -0.1383 | |
| 368 | L | A | 0.0000 | |
| 369 | Y | A | 0.2522 | |
| 370 | N | A | -0.8125 | |
| 371 | S | A | -0.6655 | |
| 372 | A | A | 0.0000 | |
| 373 | S | A | -0.4586 | |
| 374 | F | A | 0.0565 | |
| 375 | S | A | 0.4950 | |
| 376 | T | A | 0.2770 | |
| 377 | F | A | 0.1077 | |
| 378 | K | A | -0.6272 | |
| 379 | C | A | 0.0000 | |
| 380 | Y | A | 0.8031 | |
| 381 | G | A | 0.5349 | |
| 382 | V | A | 1.5287 | |
| 383 | S | A | 0.7791 | |
| 384 | P | A | 0.0000 | |
| 385 | T | A | 0.0431 | |
| 386 | K | A | -1.1329 | |
| 387 | L | A | 0.5577 | |
| 388 | N | A | 0.1303 | |
| 389 | D | A | 0.0000 | |
| 390 | L | A | -0.0902 | |
| 391 | C | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | T | A | 0.0000 | |
| 394 | N | A | -1.6569 | |
| 395 | V | A | 0.0000 | |
| 396 | Y | A | -0.0092 | |
| 397 | A | A | 0.0000 | |
| 398 | D | A | 0.0000 | |
| 399 | S | A | 0.0000 | |
| 400 | F | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | I | A | 0.0000 | |
| 403 | R | A | 0.0000 | |
| 404 | G | A | 0.0000 | |
| 405 | D | A | -2.4919 | |
| 406 | E | A | -2.0264 | |
| 407 | V | A | -1.6168 | |
| 408 | R | A | -2.8993 | |
| 409 | Q | A | -2.4906 | |
| 410 | I | A | -1.8193 | |
| 411 | A | A | -1.4259 | |
| 412 | P | A | -1.0867 | |
| 413 | G | A | -1.4960 | |
| 414 | Q | A | -2.0565 | |
| 415 | T | A | -1.6506 | |
| 416 | G | A | -2.1169 | |
| 417 | K | A | -2.5321 | |
| 418 | I | A | 0.0000 | |
| 419 | A | A | -1.4196 | |
| 420 | D | A | -2.0763 | |
| 421 | Y | A | -0.1807 | |
| 422 | N | A | -0.2395 | |
| 423 | Y | A | 0.0000 | |
| 424 | K | A | -1.2353 | |
| 425 | L | A | -0.0983 | |
| 426 | P | A | -0.5933 | |
| 427 | D | A | -1.4632 | |
| 428 | D | A | -0.6518 | |
| 429 | F | A | 0.5673 | |
| 430 | T | A | 0.0000 | |
| 431 | G | A | -0.3033 | |
| 432 | C | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | W | A | 0.0436 | |
| 437 | N | A | 0.0000 | |
| 438 | S | A | -0.9715 | |
| 439 | N | A | -1.8694 | |
| 440 | N | A | -1.1715 | |
| 441 | L | A | 0.0688 | |
| 442 | D | A | -1.3131 | |
| 443 | S | A | 0.0000 | |
| 449 | Y | A | -0.0760 | |
| 450 | N | A | 0.0000 | |
| 451 | Y | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | Y | A | 0.0784 | |
| 454 | R | A | 0.0000 | |
| 491 | P | A | 0.0000 | |
| 492 | L | A | 0.4537 | |
| 493 | Q | A | 0.0000 | |
| 494 | S | A | 0.0000 | |
| 495 | Y | A | 0.0000 | |
| 496 | G | A | 0.0000 | |
| 497 | F | A | 0.0000 | |
| 498 | Q | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | T | A | 0.5911 | |
| 503 | V | A | 1.6153 | |
| 504 | G | A | 0.4606 | |
| 505 | Y | A | 0.2440 | |
| 506 | Q | A | -1.0926 | |
| 507 | P | A | -1.1878 | |
| 508 | Y | A | 0.0000 | |
| 509 | R | A | -0.9337 | |
| 510 | V | A | 1.3252 | |
| 511 | V | A | 2.5205 | |
| 512 | V | A | 2.8950 | |
| 513 | L | A | 2.6063 | |
| 514 | S | A | 2.0990 | |
| 515 | F | A | 0.0000 | |
| 516 | E | A | 0.5092 | |
| 517 | L | A | 1.0074 | |
| 518 | L | A | 1.1121 | |
| 519 | H | A | -0.1050 | |
| 520 | A | A | -0.3711 | |
| 521 | P | A | -0.3208 | |
| 522 | A | A | -0.5378 | |
| 523 | T | A | -0.2607 | |
| 524 | V | A | -0.3830 | |
| 525 | C | A | 0.0000 | |
| 526 | G | A | 0.0000 | |
| 527 | P | A | -1.0183 | |
| 528 | K | A | 0.0000 | |
| 529 | K | A | -1.2776 | |
| 530 | S | A | -1.0342 | |
| 531 | T | A | -0.9706 | |
| 532 | N | A | -1.9326 | |
| 533 | L | A | 0.0000 | |
| 534 | V | A | 0.0000 | |
| 535 | K | A | -2.9456 | |
| 536 | N | A | -2.7528 | |
| 537 | K | A | -2.3580 | |
| 538 | C | A | 0.0000 | |
| 539 | V | A | 0.0000 | |
| 540 | N | A | -1.1134 | |
| 541 | F | A | 0.0000 | |
| 542 | N | A | 0.0000 | |
| 543 | F | A | 0.0000 | |
| 544 | N | A | 0.0000 | |
| 545 | G | A | 0.0000 | |
| 546 | L | A | -0.2898 | |
| 547 | T | A | -0.2981 | |
| 548 | G | A | -0.2390 | |
| 549 | T | A | -0.3930 | |
| 550 | G | A | 0.0000 | |
| 551 | V | A | 0.0000 | |
| 552 | L | A | 0.0000 | |
| 553 | T | A | -1.9454 | |
| 554 | E | A | -2.3198 | |
| 555 | S | A | -2.0969 | |
| 556 | N | A | -2.7067 | |
| 557 | K | A | -2.5756 | |
| 558 | K | A | -1.8611 | |
| 559 | F | A | 1.4534 | |
| 560 | L | A | 1.8540 | |
| 561 | P | A | 1.1845 | |
| 562 | F | A | 1.7381 | |
| 563 | Q | A | -0.3536 | |
| 564 | Q | A | -0.4879 | |
| 565 | F | A | 0.0544 | |
| 566 | G | A | -1.6485 | |
| 567 | R | A | -2.3903 | |
| 568 | D | A | -1.8365 | |
| 569 | I | A | 0.6678 | |
| 570 | A | A | -0.2877 | |
| 571 | D | A | 0.0000 | |
| 572 | T | A | -1.0134 | |
| 573 | T | A | 0.0000 | |
| 574 | D | A | -2.6746 | |
| 575 | A | A | -1.4631 | |
| 576 | V | A | 0.0000 | |
| 577 | R | A | -0.4803 | |
| 578 | D | A | 0.0000 | |
| 579 | P | A | 0.2476 | |
| 580 | Q | A | -0.0750 | |
| 581 | T | A | -0.0686 | |
| 582 | L | A | 0.0000 | |
| 583 | E | A | 0.0000 | |
| 584 | I | A | -1.1448 | |
| 585 | L | A | 0.0000 | |
| 586 | D | A | -2.0478 | |
| 587 | I | A | 0.0000 | |
| 588 | T | A | -0.3722 | |
| 589 | P | A | 0.1353 | |
| 590 | C | A | 1.1772 | |
| 591 | S | A | 0.0000 | |
| 592 | F | A | 2.4913 | |
| 593 | G | A | 1.1451 | |
| 594 | G | A | -0.3033 | |
| 595 | V | A | 0.0000 | |
| 596 | S | A | 0.0000 | |
| 597 | V | A | 0.9074 | |
| 598 | I | A | 0.0000 | |
| 599 | T | A | 0.3124 | |
| 600 | P | A | 0.0000 | |
| 601 | G | A | -1.0240 | |
| 602 | T | A | -1.4723 | |
| 603 | N | A | -1.4928 | |
| 604 | T | A | -0.9705 | |
| 605 | S | A | -1.2855 | |
| 606 | N | A | -1.5955 | |
| 607 | Q | A | 0.0000 | |
| 608 | V | A | 1.3583 | |
| 609 | A | A | 0.0000 | |
| 610 | V | A | 0.6120 | |
| 611 | L | A | 0.0000 | |
| 612 | Y | A | 0.1009 | |
| 613 | Q | A | -0.8449 | |
| 614 | D | A | 0.6134 | |
| 615 | V | A | 2.3407 | |
| 616 | N | A | 1.3585 | |
| 617 | C | A | 0.5122 | |
| 618 | T | A | -0.7138 | |
| 619 | E | A | -1.7879 | |
| 620 | V | A | 0.0000 | |
| 640 | S | A | -1.4313 | |
| 641 | N | A | -1.5802 | |
| 642 | V | A | -0.3057 | |
| 643 | F | A | 0.2123 | |
| 644 | Q | A | -0.6006 | |
| 645 | T | A | 0.0000 | |
| 646 | R | A | -2.0029 | |
| 647 | A | A | -1.1515 | |
| 648 | G | A | 0.0000 | |
| 649 | C | A | -0.2972 | |
| 650 | L | A | 0.0000 | |
| 651 | I | A | 0.0000 | |
| 652 | G | A | -0.3917 | |
| 653 | A | A | 0.0000 | |
| 654 | E | A | -1.1773 | |
| 655 | H | A | -1.0576 | |
| 656 | V | A | -0.4010 | |
| 657 | N | A | -1.1064 | |
| 658 | N | A | -0.8136 | |
| 659 | S | A | -0.0644 | |
| 660 | Y | A | -0.4210 | |
| 661 | E | A | -1.2716 | |
| 662 | C | A | -1.4962 | |
| 663 | D | A | -2.4838 | |
| 664 | I | A | 0.0000 | |
| 665 | P | A | -0.9387 | |
| 666 | I | A | 0.0000 | |
| 667 | G | A | -1.2041 | |
| 668 | A | A | -0.9352 | |
| 669 | G | A | -0.3539 | |
| 670 | I | A | 0.1887 | |
| 671 | C | A | 0.0000 | |
| 672 | A | A | 0.0000 | |
| 687 | V | A | 0.0000 | |
| 688 | A | A | -1.2962 | |
| 689 | S | A | -1.0602 | |
| 690 | Q | A | -1.3935 | |
| 691 | S | A | -0.6709 | |
| 692 | I | A | 0.0000 | |
| 693 | I | A | 0.0000 | |
| 694 | A | A | 0.0000 | |
| 695 | Y | A | 0.3997 | |
| 696 | T | A | 0.5103 | |
| 697 | M | A | 0.5552 | |
| 698 | S | A | 0.6647 | |
| 699 | L | A | 0.9655 | |
| 700 | G | A | -0.3971 | |
| 701 | A | A | -1.0270 | |
| 702 | E | A | -2.7104 | |
| 703 | N | A | -2.4179 | |
| 704 | S | A | -1.3902 | |
| 705 | V | A | -0.6437 | |
| 706 | A | A | 0.2688 | |
| 707 | Y | A | 0.3781 | |
| 708 | S | A | -0.6637 | |
| 709 | N | A | -1.6979 | |
| 710 | N | A | -1.5744 | |
| 711 | S | A | -1.2448 | |
| 712 | I | A | 0.0000 | |
| 713 | A | A | -1.1947 | |
| 714 | I | A | 0.0000 | |
| 715 | P | A | 0.0000 | |
| 716 | T | A | -1.3835 | |
| 717 | N | A | -1.3263 | |
| 718 | F | A | -0.5889 | |
| 719 | T | A | -0.0734 | |
| 720 | I | A | 0.0000 | |
| 721 | S | A | -0.2559 | |
| 722 | V | A | 0.0000 | |
| 723 | T | A | -0.2954 | |
| 724 | T | A | -0.0345 | |
| 725 | E | A | -0.0596 | |
| 726 | I | A | 0.3032 | |
| 727 | L | A | 0.0000 | |
| 728 | P | A | -0.3580 | |
| 729 | V | A | 0.0000 | |
| 730 | S | A | 0.0000 | |
| 731 | M | A | -0.0534 | |
| 732 | T | A | 0.0000 | |
| 733 | K | A | 0.0000 | |
| 734 | T | A | 0.0000 | |
| 735 | S | A | 0.0000 | |
| 736 | V | A | 0.0000 | |
| 737 | D | A | 0.2314 | |
| 738 | C | A | 0.0000 | |
| 739 | T | A | 0.3414 | |
| 740 | M | A | 1.2288 | |
| 741 | Y | A | 0.0000 | |
| 742 | I | A | 0.0000 | |
| 743 | C | A | 0.2444 | |
| 744 | G | A | -0.5429 | |
| 745 | D | A | -1.5159 | |
| 746 | S | A | 0.0000 | |
| 747 | T | A | -1.1585 | |
| 748 | E | A | -1.7380 | |
| 749 | C | A | 0.0000 | |
| 750 | S | A | -0.8166 | |
| 751 | N | A | -1.2951 | |
| 752 | L | A | -0.9736 | |
| 753 | L | A | 0.0000 | |
| 754 | L | A | 0.6519 | |
| 755 | Q | A | -0.6295 | |
| 756 | Y | A | 0.0000 | |
| 757 | G | A | -0.3907 | |
| 758 | S | A | -0.0277 | |
| 759 | F | A | 0.1827 | |
| 760 | C | A | -0.2207 | |
| 761 | T | A | -0.6477 | |
| 762 | Q | A | -1.1885 | |
| 763 | L | A | 0.0000 | |
| 764 | N | A | -1.6038 | |
| 765 | R | A | -2.3232 | |
| 766 | A | A | -1.1045 | |
| 767 | L | A | 0.0000 | |
| 768 | T | A | -0.6814 | |
| 769 | G | A | -0.4980 | |
| 770 | I | A | -0.1513 | |
| 771 | A | A | 0.0000 | |
| 772 | V | A | 0.1475 | |
| 773 | E | A | -2.2260 | |
| 774 | Q | A | 0.0000 | |
| 775 | D | A | -1.8638 | |
| 776 | K | A | -3.2247 | |
| 777 | N | A | -3.0370 | |
| 778 | T | A | 0.0000 | |
| 779 | Q | A | -2.9681 | |
| 780 | E | A | -3.0413 | |
| 781 | V | A | 0.0000 | |
| 782 | F | A | 0.0000 | |
| 783 | A | A | -1.0872 | |
| 784 | Q | A | -0.8317 | |
| 785 | V | A | -0.2833 | |
| 786 | K | A | -0.7667 | |
| 787 | Q | A | -0.7446 | |
| 788 | I | A | -0.1484 | |
| 789 | Y | A | 0.1035 | |
| 790 | K | A | -1.4331 | |
| 791 | T | A | 0.0000 | |
| 792 | P | A | -1.6414 | |
| 793 | P | A | -1.5617 | |
| 794 | I | A | 0.0000 | |
| 795 | K | A | -2.7239 | |
| 796 | D | A | -2.7332 | |
| 797 | F | A | -1.2763 | |
| 798 | G | A | -1.3737 | |
| 799 | G | A | -1.3282 | |
| 800 | F | A | -0.6911 | |
| 801 | N | A | -0.7174 | |
| 802 | F | A | 0.0000 | |
| 803 | S | A | 0.0000 | |
| 804 | Q | A | 0.0000 | |
| 805 | I | A | 0.4555 | |
| 806 | L | A | 0.2835 | |
| 807 | P | A | -0.3447 | |
| 808 | D | A | -1.6756 | |
| 809 | P | A | -1.9686 | |
| 810 | S | A | -1.7563 | |
| 811 | K | A | -2.6037 | |
| 815 | R | A | -2.8255 | |
| 816 | S | A | -0.8737 | |
| 817 | F | A | 0.5079 | |
| 818 | I | A | 0.0000 | |
| 819 | E | A | 0.0000 | |
| 820 | D | A | -1.5604 | |
| 821 | L | A | -0.4755 | |
| 822 | L | A | 0.0000 | |
| 823 | F | A | -0.9274 | |
| 824 | N | A | -1.5699 | |
| 825 | K | A | -1.3538 | |
| 826 | V | A | -0.2598 | |
| 827 | T | A | 0.0000 | |
| 828 | L | A | 0.8457 | |
| 853 | Q | A | -0.3420 | |
| 854 | K | A | 0.0000 | |
| 855 | F | A | 0.3389 | |
| 856 | N | A | -0.2173 | |
| 857 | G | A | 0.0000 | |
| 858 | L | A | 1.6938 | |
| 859 | T | A | 0.0000 | |
| 860 | V | A | 1.6186 | |
| 861 | L | A | 1.3174 | |
| 862 | P | A | 0.7364 | |
| 863 | P | A | 0.2841 | |
| 864 | L | A | 0.4301 | |
| 865 | L | A | 0.2376 | |
| 866 | T | A | -0.1348 | |
| 867 | D | A | -0.5023 | |
| 868 | E | A | -1.6351 | |
| 869 | M | A | 0.0271 | |
| 870 | I | A | 0.0000 | |
| 871 | A | A | 0.0000 | |
| 872 | Q | A | -0.8886 | |
| 873 | Y | A | 0.0303 | |
| 874 | T | A | 0.0000 | |
| 875 | S | A | 0.0000 | |
| 876 | A | A | -0.7951 | |
| 877 | L | A | 0.0000 | |
| 878 | L | A | 0.0000 | |
| 879 | A | A | 0.0000 | |
| 880 | G | A | 0.0000 | |
| 881 | T | A | 0.0000 | |
| 882 | I | A | 0.0000 | |
| 883 | T | A | 0.0000 | |
| 884 | S | A | 0.0000 | |
| 885 | G | A | 0.0000 | |
| 886 | W | A | 0.3646 | |
| 887 | T | A | -0.1014 | |
| 888 | F | A | 0.0000 | |
| 889 | G | A | -0.7194 | |
| 890 | A | A | -0.2834 | |
| 891 | G | A | -0.6094 | |
| 892 | A | A | -0.3976 | |
| 893 | A | A | -0.1952 | |
| 894 | L | A | 0.0000 | |
| 895 | Q | A | -1.1929 | |
| 896 | I | A | -0.5372 | |
| 897 | P | A | -0.0121 | |
| 898 | F | A | 0.0000 | |
| 899 | A | A | 1.0090 | |
| 900 | M | A | 1.4261 | |
| 901 | Q | A | 0.0000 | |
| 902 | M | A | 0.0000 | |
| 903 | A | A | 0.0000 | |
| 904 | Y | A | 1.1963 | |
| 905 | R | A | 0.0000 | |
| 906 | F | A | 0.0000 | |
| 907 | N | A | -1.1040 | |
| 908 | G | A | -0.3708 | |
| 909 | I | A | 0.4364 | |
| 910 | G | A | -0.2852 | |
| 911 | V | A | -0.7285 | |
| 912 | T | A | 0.0000 | |
| 913 | Q | A | -2.0576 | |
| 914 | N | A | -1.6339 | |
| 915 | V | A | 0.0000 | |
| 916 | L | A | 0.0000 | |
| 917 | Y | A | -0.4875 | |
| 918 | E | A | -2.1897 | |
| 919 | N | A | -1.5221 | |
| 920 | Q | A | -1.3177 | |
| 921 | K | A | -2.0447 | |
| 922 | L | A | -0.9424 | |
| 923 | I | A | 0.0000 | |
| 924 | A | A | -1.8086 | |
| 925 | N | A | -2.3282 | |
| 926 | Q | A | -1.9870 | |
| 927 | F | A | 0.0000 | |
| 928 | N | A | -2.2687 | |
| 929 | S | A | -1.8975 | |
| 930 | A | A | -1.7779 | |
| 931 | I | A | -1.4498 | |
| 932 | G | A | -2.0626 | |
| 933 | K | A | -2.9142 | |
| 934 | I | A | 0.0000 | |
| 935 | Q | A | -2.0599 | |
| 936 | D | A | -3.0036 | |
| 937 | S | A | -1.8964 | |
| 938 | L | A | 0.0000 | |
| 939 | S | A | -1.4500 | |
| 940 | S | A | -0.9752 | |
| 941 | T | A | -0.7151 | |
| 942 | A | A | -0.4814 | |
| 943 | S | A | -0.6243 | |
| 944 | A | A | -0.3672 | |
| 945 | L | A | 0.0000 | |
| 946 | G | A | -1.3119 | |
| 947 | K | A | -1.8954 | |
| 948 | L | A | -0.8145 | |
| 949 | Q | A | 0.0000 | |
| 950 | D | A | -1.5592 | |
| 951 | V | A | 0.0000 | |
| 952 | V | A | 0.0000 | |
| 953 | N | A | -0.8468 | |
| 954 | Q | A | -0.8961 | |
| 955 | N | A | 0.0000 | |
| 956 | A | A | 0.0000 | |
| 957 | Q | A | -1.1225 | |
| 958 | A | A | -0.8089 | |
| 959 | L | A | 0.0000 | |
| 960 | N | A | -0.7396 | |
| 961 | T | A | -0.9729 | |
| 962 | L | A | 0.0000 | |
| 963 | V | A | -0.4639 | |
| 964 | K | A | -2.0884 | |
| 965 | Q | A | -1.7662 | |
| 966 | L | A | 0.0000 | |
| 967 | S | A | -0.6711 | |
| 968 | S | A | -1.1804 | |
| 969 | N | A | -1.4415 | |
| 970 | F | A | 0.0000 | |
| 971 | G | A | -0.1005 | |
| 972 | A | A | 0.4883 | |
| 973 | I | A | 1.4047 | |
| 974 | S | A | 0.6288 | |
| 975 | S | A | 0.1064 | |
| 976 | V | A | 0.2317 | |
| 977 | L | A | 0.0000 | |
| 978 | N | A | -1.6989 | |
| 979 | D | A | -1.4608 | |
| 980 | I | A | -1.5372 | |
| 981 | L | A | -1.6152 | |
| 982 | S | A | -1.3261 | |
| 983 | R | A | -2.2111 | |
| 984 | L | A | -1.0759 | |
| 985 | D | A | -2.1195 | |
| 986 | P | A | -1.9356 | |
| 987 | P | A | -1.7229 | |
| 988 | E | A | -2.3623 | |
| 989 | A | A | 0.0000 | |
| 990 | E | A | -2.5258 | |
| 991 | V | A | -0.8678 | |
| 992 | Q | A | -1.8440 | |
| 993 | I | A | 0.0000 | |
| 994 | D | A | -2.4806 | |
| 995 | R | A | -2.5397 | |
| 996 | L | A | -1.7056 | |
| 997 | I | A | 0.0000 | |
| 998 | T | A | -1.4815 | |
| 999 | G | A | -1.5081 | |
| 1000 | R | A | 0.0000 | |
| 1001 | L | A | -0.8690 | |
| 1002 | Q | A | -1.4325 | |
| 1003 | S | A | 0.0000 | |
| 1004 | L | A | 0.0000 | |
| 1005 | Q | A | -0.9923 | |
| 1006 | T | A | -0.8078 | |
| 1007 | Y | A | 0.0000 | |
| 1008 | V | A | 0.0000 | |
| 1009 | T | A | 0.2109 | |
| 1010 | Q | A | 0.0616 | |
| 1011 | Q | A | 0.0000 | |
| 1012 | L | A | 1.0342 | |
| 1013 | I | A | 1.5589 | |
| 1014 | R | A | -0.3973 | |
| 1015 | A | A | 0.0000 | |
| 1016 | A | A | -0.6979 | |
| 1017 | E | A | -1.9155 | |
| 1018 | I | A | 0.0000 | |
| 1019 | R | A | -2.8620 | |
| 1020 | A | A | -1.6831 | |
| 1021 | S | A | -1.0344 | |
| 1022 | A | A | 0.0000 | |
| 1023 | N | A | -1.5201 | |
| 1024 | L | A | 0.1414 | |
| 1025 | A | A | 0.0000 | |
| 1026 | A | A | -0.8016 | |
| 1027 | T | A | 0.3046 | |
| 1028 | K | A | 0.1919 | |
| 1029 | M | A | 0.0000 | |
| 1030 | S | A | -0.2157 | |
| 1031 | E | A | 0.0000 | |
| 1032 | C | A | 0.0000 | |
| 1033 | V | A | 0.0000 | |
| 1034 | L | A | 0.0000 | |
| 1035 | G | A | -0.6702 | |
| 1036 | Q | A | 0.0000 | |
| 1037 | S | A | -1.0152 | |
| 1038 | K | A | -1.6847 | |
| 1039 | R | A | -0.6584 | |
| 1040 | V | A | 0.5945 | |
| 1041 | D | A | -0.7149 | |
| 1042 | F | A | 1.2382 | |
| 1043 | C | A | 0.0000 | |
| 1044 | G | A | -1.3258 | |
| 1045 | K | A | -2.4765 | |
| 1046 | G | A | -1.7013 | |
| 1047 | Y | A | 0.0000 | |
| 1048 | H | A | 0.0000 | |
| 1049 | L | A | 0.0000 | |
| 1050 | M | A | 0.0000 | |
| 1051 | S | A | 0.0000 | |
| 1052 | F | A | 0.0000 | |
| 1053 | P | A | 0.0000 | |
| 1054 | Q | A | 0.0000 | |
| 1055 | S | A | 0.0000 | |
| 1056 | A | A | 0.0000 | |
| 1057 | P | A | 0.0000 | |
| 1058 | H | A | 0.0000 | |
| 1059 | G | A | 0.0000 | |
| 1060 | V | A | 0.0000 | |
| 1061 | V | A | 0.0000 | |
| 1062 | F | A | 0.0000 | |
| 1063 | L | A | 0.0000 | |
| 1064 | H | A | 0.0000 | |
| 1065 | V | A | 0.0000 | |
| 1066 | T | A | -0.3872 | |
| 1067 | Y | A | 0.0000 | |
| 1068 | V | A | 0.1309 | |
| 1069 | P | A | -0.5646 | |
| 1070 | A | A | -1.2134 | |
| 1071 | Q | A | -2.6250 | |
| 1072 | E | A | -3.3144 | |
| 1073 | K | A | -2.9737 | |
| 1074 | N | A | -2.3885 | |
| 1075 | F | A | 0.0000 | |
| 1076 | T | A | -1.2616 | |
| 1077 | T | A | 0.0000 | |
| 1078 | A | A | 0.0000 | |
| 1079 | P | A | 0.0000 | |
| 1080 | A | A | 0.0000 | |
| 1081 | I | A | 0.0000 | |
| 1082 | C | A | -1.3904 | |
| 1083 | H | A | -2.7527 | |
| 1084 | D | A | -3.3044 | |
| 1085 | G | A | -2.7108 | |
| 1086 | K | A | -2.6139 | |
| 1087 | A | A | 0.0000 | |
| 1088 | H | A | 0.0000 | |
| 1089 | F | A | 1.2719 | |
| 1090 | P | A | 0.0000 | |
| 1091 | R | A | -1.7904 | |
| 1092 | E | A | -2.3234 | |
| 1093 | G | A | -1.4346 | |
| 1094 | V | A | 0.0000 | |
| 1095 | F | A | 0.0000 | |
| 1096 | V | A | 0.0000 | |
| 1097 | S | A | 0.0000 | |
| 1098 | N | A | -1.2794 | |
| 1099 | G | A | -0.9358 | |
| 1100 | T | A | -0.6564 | |
| 1101 | H | A | -0.6401 | |
| 1102 | W | A | 0.6189 | |
| 1103 | F | A | 0.6582 | |
| 1104 | V | A | 0.0000 | |
| 1105 | T | A | 0.0000 | |
| 1106 | Q | A | -1.7733 | |
| 1107 | R | A | 0.0000 | |
| 1108 | N | A | -0.5471 | |
| 1109 | F | A | 0.0000 | |
| 1110 | Y | A | 0.0000 | |
| 1111 | E | A | -1.2053 | |
| 1112 | P | A | -0.3866 | |
| 1113 | Q | A | 0.0000 | |
| 1114 | I | A | 0.8200 | |
| 1115 | I | A | 0.0000 | |
| 1116 | T | A | 0.0000 | |
| 1117 | T | A | -0.1598 | |
| 1118 | D | A | -1.9511 | |
| 1119 | N | A | -1.6094 | |
| 1120 | T | A | 0.5830 | |
| 1121 | F | A | 2.1936 | |
| 1122 | V | A | 2.1562 | |
| 1123 | S | A | 0.2215 | |
| 1124 | G | A | -1.5211 | |
| 1125 | N | A | -2.1822 | |
| 1126 | C | A | -0.3595 | |
| 1127 | D | A | -1.1645 | |
| 1128 | V | A | 1.1358 | |
| 1129 | V | A | 1.9459 | |
| 1130 | I | A | 0.7380 | |
| 1131 | G | A | 0.0038 | |
| 1132 | I | A | 0.5657 | |
| 1133 | V | A | -0.2312 | |
| 1134 | N | A | -2.1709 | |
| 1135 | N | A | -1.9622 | |
| 1136 | T | A | -0.0946 | |
| 1137 | V | A | 1.2900 | |
| 1138 | Y | A | 1.4585 | |
| 1139 | D | A | -0.0450 | |
| 1140 | P | A | 0.3269 | |
| 1141 | L | A | 0.7464 | |
| 1142 | Q | A | -0.9146 | |
| 1143 | P | A | -1.3099 | |
| 1144 | E | A | -1.7281 | |
| 1145 | L | A | 0.0000 | |
| 1146 | D | A | -2.1757 |
CABS-flex predictions of flexibility of input structure
In dynamic mode, A3D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted
by CABS-flex method, models are numbered from 0 to 11) and the input model.
Their A3D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A3D score, -0.4157 in this case) with the input model
(the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).
Model |
Average A3D Score |
|||
| model_0 | -0.4157 | View | CSV | PDB |
| model_4 | -0.4197 | View | CSV | PDB |
| model_1 | -0.4211 | View | CSV | PDB |
| model_5 | -0.4251 | View | CSV | PDB |
| model_11 | -0.45 | View | CSV | PDB |
| model_2 | -0.471 | View | CSV | PDB |
| model_3 | -0.4765 | View | CSV | PDB |
| model_6 | -0.4876 | View | CSV | PDB |
| model_9 | -0.4902 | View | CSV | PDB |
| model_8 | -0.496 | View | CSV | PDB |
| model_7 | -0.4989 | View | CSV | PDB |
| model_10 | -0.5104 | View | CSV | PDB |
| input | -0.6248 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine