| Chain sequence(s) |
A: VYRAFDIYNDKVAGFAKFLKFSNYQHEETIYNLLKDCPAVARLTKYTMADLVYALRHFDEGNCDTLKEILVTYNCCDDDYFNKKDWYDFVENPDILRVYANLGERVRQALLKTVQFCDAMRNAGIVGVLTLDNQDLNGNWYDFGDFIQTTPGSGVPVVDSYYSLLMPILTLTRALTAESHVDTDLTKPYIKWDLLKYDFTEERLKLFDRYFKYWDQTYHPNCVNCLDDRCILHCANFNVLFSTVFPPTSFGPLVRKIFVDGVPFVVSTGYHFRELGVVHNQDVNLHSSRLSFKELLVYAADPAMHAASGNLLLDKRTTCFSVAALTNNVAFQTVKPGNFNKDFYDFAVSKGFFKEGSSVELKHFFFAQDGNAAISDYDYYRYNLPTMCDIRQLLFVVEVVDKYFDCYDGGCINANQVIVNNLDKSAGFPFNKWGKARLYYDSMSYEDQDALFAYTKRNVIPTITQMNLKYAISAKNRARTVAGVSICSTMTNRQFHQKLLKSIAATRGATVVIGTSKFYGGWHNMLKTVYSDVENPHLMGWDYPKCDRAMPNMLRIMASLVLARKHTTCCSLSHRFYRLANECAQVLSEMVMCGGSLYVKPGGTSSGDATTAYANSVFNICQAVTANVNALLSTDGNKIADKYVRNLQHRLYECLYRNRDVDTDFVNEFYAYLRKHFSMMILSDDAVVCFNSTYASQGLVASIKNFKSVLYYQNNVFMSEAKCWTETDLTKGPHEFCSQHTMLVKQGDDYVYLPYPDPSRILGAGCFVDDIVKTDGTLMIERFVSLAIDAYPLTKHPNQEYADVFHLYLQYIRKLHDELTGHMLDMYSVMLTNDNTSRYWEPEFYEAMYTPHT
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 (00:22:25)
[INFO] Analysis: Starting Aggrescan3D on model_10.pdb (06:55:37)
[INFO] Analysis: Starting Aggrescan3D on model_7.pdb (06:55:58)
[INFO] Analysis: Starting Aggrescan3D on model_9.pdb (06:56:19)
[INFO] Analysis: Starting Aggrescan3D on model_8.pdb (06:56:40)
[INFO] Analysis: Starting Aggrescan3D on model_11.pdb (06:57:02)
[INFO] Analysis: Starting Aggrescan3D on model_6.pdb (06:57:23)
[INFO] Analysis: Starting Aggrescan3D on model_4.pdb (06:57:45)
[INFO] Analysis: Starting Aggrescan3D on model_2.pdb (06:58:07)
[INFO] Analysis: Starting Aggrescan3D on model_5.pdb (06:58:27)
[INFO] Analysis: Starting Aggrescan3D on model_1.pdb (06:58:49)
[INFO] Analysis: Starting Aggrescan3D on model_0.pdb (06:59:11)
[INFO] Analysis: Starting Aggrescan3D on model_3.pdb (06:59:32)
[INFO] Analysis: Starting Aggrescan3D on input.pdb (06:59:54)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (07:01:22)
[INFO] Movie: Creting movie with webm format (07:18:17)
[INFO] Main: Simulation completed successfully. (07:18:43)
|
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 | |
| 31 | V | A | 2.8404 | |
| 32 | Y | A | 2.5643 | |
| 33 | R | A | 0.0000 | |
| 34 | A | A | 1.2236 | |
| 35 | F | A | 1.0230 | |
| 36 | D | A | 0.0000 | |
| 37 | I | A | -0.0201 | |
| 38 | Y | A | -1.1024 | |
| 39 | N | A | -2.1093 | |
| 40 | D | A | -2.7051 | |
| 41 | K | A | -1.8208 | |
| 42 | V | A | -1.0293 | |
| 43 | A | A | 0.0000 | |
| 44 | G | A | 0.0000 | |
| 45 | F | A | 0.0000 | |
| 46 | A | A | 0.0000 | |
| 47 | K | A | 0.4691 | |
| 48 | F | A | 2.2207 | |
| 49 | L | A | 2.3807 | |
| 50 | K | A | 0.0447 | |
| 77 | F | A | -0.0969 | |
| 78 | S | A | -0.7055 | |
| 79 | N | A | -1.4010 | |
| 80 | Y | A | -1.0054 | |
| 81 | Q | A | -1.7582 | |
| 82 | H | A | -1.7505 | |
| 83 | E | A | 0.0000 | |
| 84 | E | A | -1.7107 | |
| 85 | T | A | -1.0834 | |
| 86 | I | A | 0.0000 | |
| 87 | Y | A | -1.0204 | |
| 88 | N | A | -1.3401 | |
| 89 | L | A | 0.0008 | |
| 90 | L | A | 0.0000 | |
| 91 | K | A | -2.4145 | |
| 92 | D | A | -3.0264 | |
| 93 | C | A | 0.0000 | |
| 94 | P | A | -1.2565 | |
| 95 | A | A | -0.6583 | |
| 96 | V | A | -0.7215 | |
| 97 | A | A | -0.4774 | |
| 118 | R | A | -1.3753 | |
| 119 | L | A | 0.2752 | |
| 120 | T | A | -0.5613 | |
| 121 | K | A | -1.4207 | |
| 122 | Y | A | -0.6189 | |
| 123 | T | A | 0.0000 | |
| 124 | M | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | D | A | -0.2108 | |
| 127 | L | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | Y | A | 0.0000 | |
| 130 | A | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | R | A | 0.0000 | |
| 133 | H | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | D | A | -1.7236 | |
| 136 | E | A | -2.4891 | |
| 137 | G | A | -2.1135 | |
| 138 | N | A | -2.2721 | |
| 139 | C | A | 0.0000 | |
| 140 | D | A | -3.1806 | |
| 141 | T | A | 0.0000 | |
| 142 | L | A | 0.0000 | |
| 143 | K | A | -2.7494 | |
| 144 | E | A | -2.6476 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | -1.5230 | |
| 148 | T | A | -0.7602 | |
| 149 | Y | A | -0.4950 | |
| 150 | N | A | -1.9275 | |
| 151 | C | A | 0.0000 | |
| 152 | C | A | 0.0000 | |
| 153 | D | A | -3.4884 | |
| 154 | D | A | -3.9705 | |
| 155 | D | A | -3.7055 | |
| 156 | Y | A | -2.4548 | |
| 157 | F | A | 0.0000 | |
| 158 | N | A | -3.7832 | |
| 159 | K | A | -3.5900 | |
| 160 | K | A | -2.6349 | |
| 161 | D | A | -2.8623 | |
| 162 | W | A | -2.1180 | |
| 163 | Y | A | 0.0000 | |
| 164 | D | A | -1.2955 | |
| 165 | F | A | 0.0000 | |
| 166 | V | A | 0.6161 | |
| 167 | E | A | 0.0000 | |
| 168 | N | A | -1.1318 | |
| 169 | P | A | 0.0000 | |
| 170 | D | A | -1.5042 | |
| 171 | I | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | R | A | -2.1689 | |
| 174 | V | A | -1.2775 | |
| 175 | Y | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | N | A | -1.5762 | |
| 178 | L | A | 0.0000 | |
| 179 | G | A | 0.0000 | |
| 180 | E | A | -2.8115 | |
| 181 | R | A | -2.5101 | |
| 182 | V | A | 0.0000 | |
| 183 | R | A | -1.7610 | |
| 184 | Q | A | -1.3724 | |
| 185 | A | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | -0.3210 | |
| 188 | K | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | V | A | -0.4899 | |
| 191 | Q | A | -1.5035 | |
| 192 | F | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | D | A | -2.8491 | |
| 195 | A | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | R | A | -3.1561 | |
| 198 | N | A | -2.6640 | |
| 199 | A | A | -1.7939 | |
| 200 | G | A | -1.6239 | |
| 201 | I | A | -1.1323 | |
| 202 | V | A | -0.6703 | |
| 203 | G | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | Q | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | N | A | -1.4370 | |
| 214 | G | A | -0.8295 | |
| 215 | N | A | -0.9283 | |
| 216 | W | A | 0.0000 | |
| 217 | Y | A | -0.6809 | |
| 218 | D | A | -0.6619 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | D | A | -0.7473 | |
| 222 | F | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | Q | A | -1.4901 | |
| 225 | T | A | -1.0066 | |
| 226 | T | A | -1.0663 | |
| 227 | P | A | -0.8247 | |
| 228 | G | A | -1.0463 | |
| 229 | S | A | -0.9410 | |
| 230 | G | A | -0.6855 | |
| 231 | V | A | -0.0098 | |
| 232 | P | A | -0.4111 | |
| 233 | V | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | D | A | -0.6262 | |
| 236 | S | A | 0.0000 | |
| 237 | Y | A | 0.0000 | |
| 238 | Y | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | M | A | 0.0000 | |
| 243 | P | A | 0.0000 | |
| 244 | I | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | T | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | R | A | 0.0000 | |
| 250 | A | A | -1.0456 | |
| 251 | L | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | A | A | -0.6459 | |
| 254 | E | A | -0.6127 | |
| 255 | S | A | 0.0000 | |
| 256 | H | A | -1.3824 | |
| 257 | V | A | -1.2074 | |
| 258 | D | A | -2.4556 | |
| 259 | T | A | -1.8272 | |
| 260 | D | A | -2.3462 | |
| 261 | L | A | -1.9160 | |
| 262 | T | A | -1.9385 | |
| 263 | K | A | -2.7744 | |
| 264 | P | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | K | A | -2.4504 | |
| 268 | W | A | 0.0000 | |
| 269 | D | A | -1.7755 | |
| 270 | L | A | -0.2583 | |
| 271 | L | A | 1.0200 | |
| 272 | K | A | -0.2575 | |
| 273 | Y | A | -0.1978 | |
| 274 | D | A | -2.0658 | |
| 275 | F | A | -1.1690 | |
| 276 | T | A | -1.4636 | |
| 277 | E | A | -1.8837 | |
| 278 | E | A | -1.3451 | |
| 279 | R | A | 0.0000 | |
| 280 | L | A | 0.1549 | |
| 281 | K | A | -1.2928 | |
| 282 | L | A | 0.0000 | |
| 283 | F | A | -0.5326 | |
| 284 | D | A | -1.7518 | |
| 285 | R | A | -1.3727 | |
| 286 | Y | A | 0.0000 | |
| 287 | F | A | 0.0000 | |
| 288 | K | A | -1.3347 | |
| 289 | Y | A | -0.3313 | |
| 290 | W | A | 0.0000 | |
| 291 | D | A | -1.5611 | |
| 292 | Q | A | 0.0000 | |
| 293 | T | A | -0.2642 | |
| 294 | Y | A | -0.0798 | |
| 295 | H | A | -0.3840 | |
| 296 | P | A | -1.0792 | |
| 297 | N | A | -1.8045 | |
| 298 | C | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | N | A | -1.1379 | |
| 301 | C | A | -0.4832 | |
| 302 | L | A | 0.2399 | |
| 303 | D | A | -1.3208 | |
| 304 | D | A | -1.3782 | |
| 305 | R | A | -1.3593 | |
| 306 | C | A | 0.0000 | |
| 307 | I | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | H | A | 0.0000 | |
| 310 | C | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | N | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | N | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | S | A | 0.0000 | |
| 319 | T | A | 0.0000 | |
| 320 | V | A | 0.0000 | |
| 321 | F | A | 0.1241 | |
| 322 | P | A | 0.0000 | |
| 323 | P | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | S | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | L | A | 0.6507 | |
| 330 | V | A | 0.3237 | |
| 331 | R | A | -1.3156 | |
| 332 | K | A | -1.3898 | |
| 333 | I | A | 0.0000 | |
| 334 | F | A | 0.6220 | |
| 335 | V | A | -0.2289 | |
| 336 | D | A | -1.5560 | |
| 337 | G | A | -0.5770 | |
| 338 | V | A | 0.7996 | |
| 339 | P | A | 0.5202 | |
| 340 | F | A | 0.5458 | |
| 341 | V | A | -0.0303 | |
| 342 | V | A | 0.0000 | |
| 343 | S | A | 0.0000 | |
| 344 | T | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | F | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | E | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | G | A | 0.0000 | |
| 353 | V | A | -0.4476 | |
| 354 | V | A | 0.0000 | |
| 355 | H | A | -1.1346 | |
| 356 | N | A | 0.0000 | |
| 357 | Q | A | -1.1894 | |
| 358 | D | A | -0.3125 | |
| 359 | V | A | 0.8663 | |
| 360 | N | A | 0.1823 | |
| 361 | L | A | 1.1255 | |
| 362 | H | A | -0.1725 | |
| 363 | S | A | -0.5525 | |
| 364 | S | A | -0.9858 | |
| 365 | R | A | -1.4292 | |
| 366 | L | A | 0.9834 | |
| 367 | S | A | 1.1917 | |
| 368 | F | A | 2.2609 | |
| 369 | K | A | 1.0920 | |
| 370 | E | A | 0.7180 | |
| 371 | L | A | 1.6660 | |
| 372 | L | A | 1.2003 | |
| 373 | V | A | 0.0000 | |
| 374 | Y | A | 0.6623 | |
| 375 | A | A | 0.6283 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | P | A | 0.0000 | |
| 379 | A | A | 0.0000 | |
| 380 | M | A | 0.5964 | |
| 381 | H | A | 0.0000 | |
| 382 | A | A | 0.5173 | |
| 383 | A | A | 0.3493 | |
| 384 | S | A | -0.1426 | |
| 385 | G | A | -0.4691 | |
| 386 | N | A | -0.2180 | |
| 387 | L | A | 1.6137 | |
| 388 | L | A | 1.6069 | |
| 389 | L | A | 0.2549 | |
| 390 | D | A | -1.2219 | |
| 391 | K | A | -2.1595 | |
| 392 | R | A | -1.6484 | |
| 393 | T | A | -1.5896 | |
| 394 | T | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | F | A | 0.0000 | |
| 397 | S | A | 0.1351 | |
| 398 | V | A | 0.0000 | |
| 399 | A | A | 0.0000 | |
| 400 | A | A | 0.2181 | |
| 401 | L | A | -0.3095 | |
| 402 | T | A | -0.6279 | |
| 403 | N | A | -1.0216 | |
| 404 | N | A | -1.3673 | |
| 405 | V | A | -0.3344 | |
| 406 | A | A | 0.0379 | |
| 407 | F | A | 1.2716 | |
| 408 | Q | A | -0.4444 | |
| 409 | T | A | -1.1850 | |
| 410 | V | A | 0.0000 | |
| 411 | K | A | -2.1251 | |
| 412 | P | A | -0.7213 | |
| 413 | G | A | -1.2433 | |
| 414 | N | A | -1.6976 | |
| 415 | F | A | -0.3798 | |
| 416 | N | A | 0.0000 | |
| 417 | K | A | -2.3056 | |
| 418 | D | A | -1.9898 | |
| 419 | F | A | 0.0000 | |
| 420 | Y | A | 0.5761 | |
| 421 | D | A | -1.3408 | |
| 422 | F | A | -0.2020 | |
| 423 | A | A | 0.0000 | |
| 424 | V | A | 1.8219 | |
| 425 | S | A | 0.6540 | |
| 426 | K | A | 0.4757 | |
| 427 | G | A | 0.0000 | |
| 428 | F | A | 2.3126 | |
| 429 | F | A | 1.8189 | |
| 430 | K | A | -0.3399 | |
| 431 | E | A | -0.6789 | |
| 432 | G | A | -0.4764 | |
| 433 | S | A | 0.0000 | |
| 434 | S | A | -0.5056 | |
| 435 | V | A | -0.0968 | |
| 436 | E | A | -1.3049 | |
| 437 | L | A | 0.1606 | |
| 438 | K | A | -0.6862 | |
| 439 | H | A | -0.0249 | |
| 440 | F | A | 0.6447 | |
| 441 | F | A | 0.8657 | |
| 442 | F | A | 0.7293 | |
| 443 | A | A | -0.5102 | |
| 444 | Q | A | -1.2158 | |
| 445 | D | A | -2.4103 | |
| 446 | G | A | -1.3610 | |
| 447 | N | A | -0.9568 | |
| 448 | A | A | -0.1125 | |
| 449 | A | A | 0.7080 | |
| 450 | I | A | 1.7470 | |
| 451 | S | A | 0.6032 | |
| 452 | D | A | 0.0000 | |
| 453 | Y | A | 0.0000 | |
| 454 | D | A | -0.0113 | |
| 455 | Y | A | 0.9648 | |
| 456 | Y | A | 0.0000 | |
| 457 | R | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | N | A | 0.0000 | |
| 460 | L | A | 0.0000 | |
| 461 | P | A | 0.0000 | |
| 462 | T | A | 0.0000 | |
| 463 | M | A | 0.0000 | |
| 464 | C | A | 0.0000 | |
| 465 | D | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | R | A | 0.0000 | |
| 468 | Q | A | 0.0000 | |
| 469 | L | A | 0.0000 | |
| 470 | L | A | 0.0000 | |
| 471 | F | A | 0.0000 | |
| 472 | V | A | 0.0000 | |
| 473 | V | A | 0.0000 | |
| 474 | E | A | -1.2749 | |
| 475 | V | A | 0.0000 | |
| 476 | V | A | 0.0000 | |
| 477 | D | A | -1.6858 | |
| 478 | K | A | -1.9763 | |
| 479 | Y | A | -1.0721 | |
| 480 | F | A | 0.0000 | |
| 481 | D | A | -2.4433 | |
| 482 | C | A | -1.4664 | |
| 483 | Y | A | 0.0000 | |
| 484 | D | A | -2.5203 | |
| 485 | G | A | -1.6825 | |
| 486 | G | A | 0.0000 | |
| 487 | C | A | 0.0000 | |
| 488 | I | A | -0.7809 | |
| 489 | N | A | -1.3144 | |
| 490 | A | A | -0.9857 | |
| 491 | N | A | -1.4134 | |
| 492 | Q | A | -0.8534 | |
| 493 | V | A | 0.0000 | |
| 494 | I | A | 0.9006 | |
| 495 | V | A | 0.1937 | |
| 496 | N | A | -0.6086 | |
| 497 | N | A | -0.9644 | |
| 498 | L | A | -0.7986 | |
| 499 | D | A | -1.4892 | |
| 500 | K | A | -2.3021 | |
| 501 | S | A | 0.0000 | |
| 502 | A | A | 0.0000 | |
| 503 | G | A | 0.0000 | |
| 504 | F | A | -0.0171 | |
| 505 | P | A | -0.4757 | |
| 506 | F | A | 0.0000 | |
| 507 | N | A | -1.6384 | |
| 508 | K | A | -1.6798 | |
| 509 | W | A | 0.0757 | |
| 510 | G | A | 0.0000 | |
| 511 | K | A | -2.5816 | |
| 512 | A | A | -1.7524 | |
| 513 | R | A | -2.0210 | |
| 514 | L | A | -1.0071 | |
| 515 | Y | A | 0.0000 | |
| 516 | Y | A | -0.7692 | |
| 517 | D | A | -1.8563 | |
| 518 | S | A | -0.3927 | |
| 519 | M | A | 0.0000 | |
| 520 | S | A | -0.4720 | |
| 521 | Y | A | -0.3432 | |
| 522 | E | A | -1.8821 | |
| 523 | D | A | -1.0120 | |
| 524 | Q | A | 0.0000 | |
| 525 | D | A | -1.5651 | |
| 526 | A | A | -0.8414 | |
| 527 | L | A | 0.0000 | |
| 528 | F | A | 0.0000 | |
| 529 | A | A | -0.3665 | |
| 530 | Y | A | -0.2589 | |
| 531 | T | A | 0.0000 | |
| 532 | K | A | -0.5424 | |
| 533 | R | A | -1.0363 | |
| 534 | N | A | 0.0000 | |
| 535 | V | A | 0.0000 | |
| 536 | I | A | 0.0000 | |
| 537 | P | A | 0.0000 | |
| 538 | T | A | 0.0000 | |
| 539 | I | A | 0.0000 | |
| 540 | T | A | 0.0000 | |
| 541 | Q | A | 0.0000 | |
| 542 | M | A | 0.0000 | |
| 543 | N | A | 0.2982 | |
| 544 | L | A | 0.0000 | |
| 545 | K | A | -0.4531 | |
| 546 | Y | A | 0.0516 | |
| 547 | A | A | 0.5865 | |
| 548 | I | A | 0.1699 | |
| 549 | S | A | -0.4562 | |
| 550 | A | A | -0.8001 | |
| 551 | K | A | -1.1581 | |
| 552 | N | A | -1.7618 | |
| 553 | R | A | -0.8424 | |
| 554 | A | A | -0.2677 | |
| 555 | R | A | 0.0000 | |
| 556 | T | A | 0.0000 | |
| 557 | V | A | 0.1327 | |
| 558 | A | A | -0.0495 | |
| 559 | G | A | 0.0000 | |
| 560 | V | A | 0.0000 | |
| 561 | S | A | 0.0000 | |
| 562 | I | A | 0.0000 | |
| 563 | C | A | 0.0000 | |
| 564 | S | A | 0.0000 | |
| 565 | T | A | 0.0000 | |
| 566 | M | A | 0.0000 | |
| 567 | T | A | 0.0000 | |
| 568 | N | A | 0.0000 | |
| 569 | R | A | 0.0000 | |
| 570 | Q | A | 0.0000 | |
| 571 | F | A | 0.0000 | |
| 572 | H | A | 0.0000 | |
| 573 | Q | A | 0.0000 | |
| 574 | K | A | -1.9358 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | -1.2481 | |
| 577 | K | A | -2.3319 | |
| 578 | S | A | -1.7197 | |
| 579 | I | A | 0.0000 | |
| 580 | A | A | -1.0729 | |
| 581 | A | A | -1.1552 | |
| 582 | T | A | -1.2785 | |
| 583 | R | A | -1.7423 | |
| 584 | G | A | -0.7056 | |
| 585 | A | A | -0.6654 | |
| 586 | T | A | -0.0176 | |
| 587 | V | A | 0.0000 | |
| 588 | V | A | 0.8099 | |
| 589 | I | A | 1.7840 | |
| 590 | G | A | 0.7129 | |
| 591 | T | A | -0.0525 | |
| 592 | S | A | -0.4860 | |
| 593 | K | A | -0.9465 | |
| 594 | F | A | -0.3409 | |
| 595 | Y | A | -0.5278 | |
| 596 | G | A | -0.6873 | |
| 597 | G | A | -0.7031 | |
| 598 | W | A | 0.0000 | |
| 599 | H | A | -1.3638 | |
| 600 | N | A | -1.6409 | |
| 601 | M | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | K | A | -2.1817 | |
| 604 | T | A | -1.1081 | |
| 605 | V | A | 0.0000 | |
| 606 | Y | A | 0.0000 | |
| 607 | S | A | -1.0678 | |
| 608 | D | A | -1.4543 | |
| 609 | V | A | -1.1373 | |
| 610 | E | A | -2.0787 | |
| 611 | N | A | -1.6704 | |
| 612 | P | A | 0.0000 | |
| 613 | H | A | -0.4497 | |
| 614 | L | A | 0.0000 | |
| 615 | M | A | 0.0000 | |
| 616 | G | A | -0.2188 | |
| 617 | W | A | 0.0000 | |
| 618 | D | A | -1.2751 | |
| 619 | Y | A | 0.0000 | |
| 620 | P | A | -1.1435 | |
| 621 | K | A | -0.8145 | |
| 622 | C | A | 0.0000 | |
| 623 | D | A | -0.2272 | |
| 624 | R | A | 0.0000 | |
| 625 | A | A | 0.0000 | |
| 626 | M | A | 0.0000 | |
| 627 | P | A | 0.0000 | |
| 628 | N | A | 0.0000 | |
| 629 | M | A | 0.0000 | |
| 630 | L | A | 0.0000 | |
| 631 | R | A | 0.0000 | |
| 632 | I | A | 0.0000 | |
| 633 | M | A | 0.0000 | |
| 634 | A | A | 0.0000 | |
| 635 | S | A | 0.0000 | |
| 636 | L | A | 0.0000 | |
| 637 | V | A | 0.0000 | |
| 638 | L | A | 0.0000 | |
| 639 | A | A | 0.0000 | |
| 640 | R | A | -1.7526 | |
| 641 | K | A | -2.0890 | |
| 642 | H | A | 0.0000 | |
| 643 | T | A | -0.2464 | |
| 644 | T | A | -0.2234 | |
| 645 | C | A | 0.4850 | |
| 646 | C | A | 0.8283 | |
| 647 | S | A | 0.8749 | |
| 648 | L | A | 1.2450 | |
| 649 | S | A | 0.2853 | |
| 650 | H | A | -0.0491 | |
| 651 | R | A | 0.0000 | |
| 652 | F | A | 0.0000 | |
| 653 | Y | A | -0.2934 | |
| 654 | R | A | 0.0000 | |
| 655 | L | A | 0.0000 | |
| 656 | A | A | 0.0000 | |
| 657 | N | A | 0.0000 | |
| 658 | E | A | 0.0000 | |
| 659 | C | A | 0.0000 | |
| 660 | A | A | 0.0000 | |
| 661 | Q | A | 0.0000 | |
| 662 | V | A | 0.0000 | |
| 663 | L | A | 0.0000 | |
| 664 | S | A | 0.0000 | |
| 665 | E | A | 0.0000 | |
| 666 | M | A | 0.0000 | |
| 667 | V | A | 0.0000 | |
| 668 | M | A | 0.0000 | |
| 669 | C | A | 0.3908 | |
| 670 | G | A | -0.3202 | |
| 671 | G | A | -0.4635 | |
| 672 | S | A | 0.0759 | |
| 673 | L | A | 0.0000 | |
| 674 | Y | A | 0.2390 | |
| 675 | V | A | 0.0000 | |
| 676 | K | A | 0.0000 | |
| 677 | P | A | 0.0000 | |
| 678 | G | A | 0.0000 | |
| 679 | G | A | 0.0000 | |
| 680 | T | A | 0.0000 | |
| 681 | S | A | 0.0000 | |
| 682 | S | A | 0.0000 | |
| 683 | G | A | 0.0000 | |
| 684 | D | A | -1.9622 | |
| 685 | A | A | -0.5759 | |
| 686 | T | A | 0.0000 | |
| 687 | T | A | -0.6652 | |
| 688 | A | A | 0.0012 | |
| 689 | Y | A | 0.0000 | |
| 690 | A | A | -0.1959 | |
| 691 | N | A | 0.0000 | |
| 692 | S | A | 0.0000 | |
| 693 | V | A | 0.0000 | |
| 694 | F | A | 0.0000 | |
| 695 | N | A | 0.0000 | |
| 696 | I | A | 0.0000 | |
| 697 | C | A | 0.0000 | |
| 698 | Q | A | 0.0000 | |
| 699 | A | A | 0.0000 | |
| 700 | V | A | 0.0864 | |
| 701 | T | A | 0.0000 | |
| 702 | A | A | 0.0000 | |
| 703 | N | A | 0.0000 | |
| 704 | V | A | 0.0000 | |
| 705 | N | A | 0.0000 | |
| 706 | A | A | 0.0000 | |
| 707 | L | A | 0.0000 | |
| 708 | L | A | 0.0000 | |
| 709 | S | A | 0.0000 | |
| 710 | T | A | -0.9603 | |
| 711 | D | A | -1.7164 | |
| 712 | G | A | -0.8960 | |
| 713 | N | A | -1.5301 | |
| 714 | K | A | 0.0000 | |
| 715 | I | A | 0.0000 | |
| 716 | A | A | -1.7957 | |
| 717 | D | A | -2.6454 | |
| 718 | K | A | -2.5911 | |
| 719 | Y | A | -0.6910 | |
| 720 | V | A | -1.3131 | |
| 721 | R | A | -2.5786 | |
| 722 | N | A | -1.6715 | |
| 723 | L | A | 0.0000 | |
| 724 | Q | A | 0.0000 | |
| 725 | H | A | -1.1289 | |
| 726 | R | A | -1.4752 | |
| 727 | L | A | 0.0000 | |
| 728 | Y | A | 0.0000 | |
| 729 | E | A | -1.5199 | |
| 730 | C | A | 0.0000 | |
| 731 | L | A | 0.0000 | |
| 732 | Y | A | -1.1915 | |
| 733 | R | A | -2.2379 | |
| 734 | N | A | -2.6886 | |
| 735 | R | A | -3.3418 | |
| 736 | D | A | -2.8962 | |
| 737 | V | A | -1.8716 | |
| 738 | D | A | -2.3015 | |
| 739 | T | A | -2.0763 | |
| 740 | D | A | -2.3794 | |
| 741 | F | A | -1.6194 | |
| 742 | V | A | 0.0000 | |
| 743 | N | A | -2.0300 | |
| 744 | E | A | -1.4003 | |
| 745 | F | A | 0.0000 | |
| 746 | Y | A | -0.8411 | |
| 747 | A | A | -0.8100 | |
| 748 | Y | A | -0.5382 | |
| 749 | L | A | 0.0000 | |
| 750 | R | A | -1.9158 | |
| 751 | K | A | -1.5563 | |
| 752 | H | A | 0.0000 | |
| 753 | F | A | 0.0000 | |
| 754 | S | A | -0.6958 | |
| 755 | M | A | -0.1263 | |
| 756 | M | A | 0.0000 | |
| 757 | I | A | 0.0000 | |
| 758 | L | A | 0.0000 | |
| 759 | S | A | 0.4412 | |
| 760 | D | A | 0.0000 | |
| 761 | D | A | 0.0000 | |
| 762 | A | A | 0.0000 | |
| 763 | V | A | 0.0000 | |
| 764 | V | A | 0.0000 | |
| 765 | C | A | 0.0000 | |
| 766 | F | A | 0.0000 | |
| 767 | N | A | 0.0000 | |
| 768 | S | A | -1.0952 | |
| 769 | T | A | -0.9193 | |
| 770 | Y | A | -0.5885 | |
| 771 | A | A | 0.0000 | |
| 772 | S | A | -0.7981 | |
| 773 | Q | A | -1.3013 | |
| 774 | G | A | -1.0116 | |
| 775 | L | A | 0.0000 | |
| 776 | V | A | 0.0000 | |
| 777 | A | A | -0.3357 | |
| 778 | S | A | -0.0257 | |
| 779 | I | A | 0.2943 | |
| 780 | K | A | -0.6363 | |
| 781 | N | A | 0.0000 | |
| 782 | F | A | 0.0000 | |
| 783 | K | A | -0.7741 | |
| 784 | S | A | 0.0000 | |
| 785 | V | A | 0.0000 | |
| 786 | L | A | 0.0000 | |
| 787 | Y | A | 0.0000 | |
| 788 | Y | A | 0.0000 | |
| 789 | Q | A | 0.0000 | |
| 790 | N | A | 0.0000 | |
| 791 | N | A | 0.0000 | |
| 792 | V | A | -0.0126 | |
| 793 | F | A | 0.0000 | |
| 794 | M | A | 0.0000 | |
| 795 | S | A | -1.1252 | |
| 796 | E | A | -2.1765 | |
| 797 | A | A | -1.4657 | |
| 798 | K | A | -1.7399 | |
| 799 | C | A | -0.3113 | |
| 800 | W | A | 0.6195 | |
| 801 | T | A | 0.2150 | |
| 802 | E | A | 0.0187 | |
| 803 | T | A | -0.1820 | |
| 804 | D | A | 0.1546 | |
| 805 | L | A | 0.3215 | |
| 806 | T | A | 0.1310 | |
| 807 | K | A | 0.0000 | |
| 808 | G | A | -0.1240 | |
| 809 | P | A | -0.4606 | |
| 810 | H | A | 0.0000 | |
| 811 | E | A | -0.7952 | |
| 812 | F | A | 0.0000 | |
| 813 | C | A | -0.5174 | |
| 814 | S | A | -0.9146 | |
| 815 | Q | A | -1.0316 | |
| 816 | H | A | -1.2732 | |
| 817 | T | A | 0.0000 | |
| 818 | M | A | -0.1480 | |
| 819 | L | A | -0.2571 | |
| 820 | V | A | -1.0582 | |
| 821 | K | A | -2.6597 | |
| 822 | Q | A | -3.1424 | |
| 823 | G | A | -2.6069 | |
| 824 | D | A | -3.0902 | |
| 825 | D | A | -2.8552 | |
| 826 | Y | A | 0.0000 | |
| 827 | V | A | 0.0000 | |
| 828 | Y | A | 0.0000 | |
| 829 | L | A | 0.0000 | |
| 830 | P | A | 0.0000 | |
| 831 | Y | A | 0.0000 | |
| 832 | P | A | 0.0000 | |
| 833 | D | A | -1.7366 | |
| 834 | P | A | -1.5081 | |
| 835 | S | A | 0.0000 | |
| 836 | R | A | -1.2748 | |
| 837 | I | A | 0.0000 | |
| 838 | L | A | 0.0000 | |
| 839 | G | A | -0.1983 | |
| 840 | A | A | -0.2254 | |
| 841 | G | A | 0.0000 | |
| 842 | C | A | 0.0000 | |
| 843 | F | A | -0.5306 | |
| 844 | V | A | 0.0000 | |
| 845 | D | A | -1.8107 | |
| 846 | D | A | -2.0761 | |
| 847 | I | A | -1.8442 | |
| 848 | V | A | 0.0000 | |
| 849 | K | A | -2.5464 | |
| 850 | T | A | -1.9308 | |
| 851 | D | A | -2.2696 | |
| 852 | G | A | -1.2181 | |
| 853 | T | A | -1.3717 | |
| 854 | L | A | -0.5491 | |
| 855 | M | A | 0.0000 | |
| 856 | I | A | 0.0000 | |
| 857 | E | A | -1.4011 | |
| 858 | R | A | -2.0238 | |
| 859 | F | A | 0.0000 | |
| 860 | V | A | 0.0000 | |
| 861 | S | A | -0.6325 | |
| 862 | L | A | -0.3440 | |
| 863 | A | A | 0.0000 | |
| 864 | I | A | 0.0000 | |
| 865 | D | A | -0.2091 | |
| 866 | A | A | 0.0000 | |
| 867 | Y | A | -0.3674 | |
| 868 | P | A | 0.0000 | |
| 869 | L | A | 0.0000 | |
| 870 | T | A | -0.8522 | |
| 871 | K | A | -1.0998 | |
| 872 | H | A | -1.4506 | |
| 873 | P | A | -1.5011 | |
| 874 | N | A | -2.5939 | |
| 875 | Q | A | -2.7843 | |
| 876 | E | A | -2.3754 | |
| 877 | Y | A | 0.0000 | |
| 878 | A | A | -1.6351 | |
| 879 | D | A | -1.4230 | |
| 880 | V | A | 0.0000 | |
| 881 | F | A | 0.0000 | |
| 882 | H | A | -0.9132 | |
| 883 | L | A | 0.0000 | |
| 884 | Y | A | 0.0000 | |
| 885 | L | A | -0.9108 | |
| 886 | Q | A | -1.2179 | |
| 887 | Y | A | 0.0000 | |
| 888 | I | A | 0.0000 | |
| 889 | R | A | -2.7735 | |
| 890 | K | A | -2.8088 | |
| 891 | L | A | 0.0000 | |
| 892 | H | A | 0.0000 | |
| 893 | D | A | -3.3254 | |
| 894 | E | A | -3.2663 | |
| 895 | L | A | 0.0000 | |
| 896 | T | A | -0.9268 | |
| 897 | G | A | -0.6322 | |
| 898 | H | A | 0.0000 | |
| 899 | M | A | 0.8642 | |
| 900 | L | A | 1.1338 | |
| 901 | D | A | -0.2736 | |
| 902 | M | A | 1.1927 | |
| 903 | Y | A | 0.8278 | |
| 904 | S | A | 0.7917 | |
| 905 | V | A | 0.2958 | |
| 906 | M | A | 0.0000 | |
| 907 | L | A | 1.2600 | |
| 908 | T | A | -0.2959 | |
| 909 | N | A | -1.1448 | |
| 910 | D | A | -2.1604 | |
| 911 | N | A | -1.4985 | |
| 912 | T | A | 0.0000 | |
| 913 | S | A | -1.9523 | |
| 914 | R | A | -2.0116 | |
| 915 | Y | A | 0.0000 | |
| 916 | W | A | -1.7571 | |
| 917 | E | A | -2.4856 | |
| 918 | P | A | -2.0314 | |
| 919 | E | A | -2.2947 | |
| 920 | F | A | -0.7002 | |
| 921 | Y | A | -0.7832 | |
| 922 | E | A | -1.9886 | |
| 923 | A | A | -0.7793 | |
| 924 | M | A | -0.2225 | |
| 925 | Y | A | 0.0000 | |
| 926 | T | A | -0.6246 | |
| 927 | P | A | -0.8093 | |
| 928 | H | A | -1.0330 | |
| 929 | T | A | -0.6576 |
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, -0.502 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_1 | -0.502 | View | CSV | PDB |
| model_0 | -0.5227 | View | CSV | PDB |
| model_9 | -0.5282 | View | CSV | PDB |
| model_2 | -0.5346 | View | CSV | PDB |
| model_4 | -0.5387 | View | CSV | PDB |
| model_6 | -0.5392 | View | CSV | PDB |
| model_7 | -0.5394 | View | CSV | PDB |
| model_10 | -0.5499 | View | CSV | PDB |
| model_5 | -0.558 | View | CSV | PDB |
| model_3 | -0.5615 | View | CSV | PDB |
| model_11 | -0.5695 | View | CSV | PDB |
| model_8 | -0.6094 | View | CSV | PDB |
| input | -0.6344 | 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