| Chain sequence(s) |
A: MTYMHTQPRLFMPTSTTINRPFPQLNHPTITMASFTQYCLFFSISTLLLLFFNASPVLAQQSFRPKALVIPVSKDASTLQYTTHITQRTPLVPVNLVLDLGGQFLWVDCEQNYVSSTYRPARCRSAQCSLARASGCGDCFSSPKPGCNNNTCGLSPDNTVTRTATGGELAYDVVSVPSTNGFNPGRNVSVSQFLFTCAPTFLLEGLAAGVSGMAGLGRTRISLPSQFASAFSFDRKFAICLSSSVSSNGVVFFGDGPYVMLPNVDVSESLIYTPLFINPVSTASAFSQGEASSEYFIKVNSIKVNEKSVAVNTTLLSIDRDGVGGTKISTVNPYTVLEASIFKAVTEAFISESKSMNITRVSSVGPFEVCFSRDNVLSTRVGPAVPSIDLVLQNESTFWRVFGANSMVQVNDDVLCLAVVNGGESPRTSVVIGGYQLENNLLQFDLATSRLGFSSSLLFRQTTCSNFNFTSTN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | 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 A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:02:53)
[INFO] Main: Simulation completed successfully. (00:02:56)
|
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 | |
| 1 | M | A | 1.2980 | |
| 2 | T | A | 1.3196 | |
| 3 | Y | A | 1.7998 | |
| 4 | M | A | 1.1817 | |
| 5 | H | A | -0.5114 | |
| 6 | T | A | -1.0402 | |
| 7 | Q | A | -1.9522 | |
| 8 | P | A | -1.4924 | |
| 9 | R | A | -1.0256 | |
| 10 | L | A | 1.8610 | |
| 11 | F | A | 2.8334 | |
| 12 | M | A | 2.1476 | |
| 13 | P | A | 0.6197 | |
| 14 | T | A | -0.1100 | |
| 15 | S | A | -0.3472 | |
| 16 | T | A | 0.2245 | |
| 17 | T | A | 0.5348 | |
| 18 | I | A | 0.9462 | |
| 19 | N | A | -1.2687 | |
| 20 | R | A | -1.7707 | |
| 21 | P | A | -0.5401 | |
| 22 | F | A | 1.1823 | |
| 23 | P | A | 0.4708 | |
| 24 | Q | A | -0.4270 | |
| 25 | L | A | 0.2763 | |
| 26 | N | A | -1.3518 | |
| 27 | H | A | -1.3889 | |
| 28 | P | A | -0.7067 | |
| 29 | T | A | 0.4788 | |
| 30 | I | A | 2.0286 | |
| 31 | T | A | 1.3810 | |
| 32 | M | A | 1.9108 | |
| 33 | A | A | 1.0288 | |
| 34 | S | A | 1.0004 | |
| 35 | F | A | 2.2906 | |
| 36 | T | A | 1.4444 | |
| 37 | Q | A | 1.2654 | |
| 38 | Y | A | 2.8703 | |
| 39 | C | A | 2.8864 | |
| 40 | L | A | 3.4934 | |
| 41 | F | A | 4.2294 | |
| 42 | F | A | 4.0887 | |
| 43 | S | A | 3.2735 | |
| 44 | I | A | 4.2186 | |
| 45 | S | A | 3.4211 | |
| 46 | T | A | 3.2484 | |
| 47 | L | A | 3.9503 | |
| 48 | L | A | 3.9431 | |
| 49 | L | A | 4.0609 | |
| 50 | L | A | 4.1017 | |
| 51 | F | A | 4.1283 | |
| 52 | F | A | 3.5414 | |
| 53 | N | A | 1.1787 | |
| 54 | A | A | 1.3961 | |
| 55 | S | A | 0.7009 | |
| 56 | P | A | 0.8909 | |
| 57 | V | A | 2.1963 | |
| 58 | L | A | 1.7943 | |
| 59 | A | A | 0.3657 | |
| 60 | Q | A | -0.9402 | |
| 61 | Q | A | -1.5825 | |
| 62 | S | A | -1.1071 | |
| 63 | F | A | -0.6932 | |
| 64 | R | A | -1.9741 | |
| 65 | P | A | 0.0000 | |
| 66 | K | A | -2.5857 | |
| 67 | A | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | V | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | P | A | -0.3107 | |
| 72 | V | A | 0.0000 | |
| 73 | S | A | -0.1705 | |
| 74 | K | A | 0.0000 | |
| 75 | D | A | 0.0834 | |
| 76 | A | A | 0.2960 | |
| 77 | S | A | -0.0379 | |
| 78 | T | A | -0.1133 | |
| 79 | L | A | 0.3180 | |
| 80 | Q | A | 0.0000 | |
| 81 | Y | A | 0.0000 | |
| 82 | T | A | -0.5439 | |
| 83 | T | A | 0.0000 | |
| 84 | H | A | -1.1106 | |
| 85 | I | A | 0.0000 | |
| 86 | T | A | -0.1600 | |
| 87 | Q | A | 0.0000 | |
| 88 | R | A | 0.0000 | |
| 89 | T | A | 0.5074 | |
| 90 | P | A | 0.5884 | |
| 91 | L | A | 1.2557 | |
| 92 | V | A | 0.8185 | |
| 93 | P | A | -0.2063 | |
| 94 | V | A | 0.0000 | |
| 95 | N | A | -1.2545 | |
| 96 | L | A | 0.0000 | |
| 97 | V | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | G | A | -0.1535 | |
| 102 | G | A | -0.2424 | |
| 103 | Q | A | -0.5757 | |
| 104 | F | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | W | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | D | A | 0.0000 | |
| 109 | C | A | 0.0000 | |
| 110 | E | A | -2.4437 | |
| 111 | Q | A | -2.3832 | |
| 112 | N | A | -1.7414 | |
| 113 | Y | A | 0.0000 | |
| 114 | V | A | 1.2133 | |
| 115 | S | A | 0.5510 | |
| 116 | S | A | -0.1092 | |
| 117 | T | A | -0.4495 | |
| 118 | Y | A | 0.0000 | |
| 119 | R | A | -1.7781 | |
| 120 | P | A | -1.5576 | |
| 121 | A | A | 0.0000 | |
| 122 | R | A | -2.7678 | |
| 123 | C | A | -2.0561 | |
| 124 | R | A | -2.3354 | |
| 125 | S | A | -1.3949 | |
| 126 | A | A | -0.7846 | |
| 127 | Q | A | -0.9687 | |
| 128 | C | A | 0.0000 | |
| 129 | S | A | -1.0008 | |
| 130 | L | A | -0.5393 | |
| 131 | A | A | -1.1120 | |
| 132 | R | A | -2.0251 | |
| 133 | A | A | -1.1087 | |
| 134 | S | A | -0.8586 | |
| 135 | G | A | -0.4663 | |
| 136 | C | A | -0.8597 | |
| 137 | G | A | -1.4421 | |
| 138 | D | A | -2.0809 | |
| 139 | C | A | -0.5632 | |
| 140 | F | A | 1.2423 | |
| 141 | S | A | 0.1357 | |
| 142 | S | A | -0.3425 | |
| 143 | P | A | -0.7580 | |
| 144 | K | A | -1.2937 | |
| 145 | P | A | -1.1571 | |
| 146 | G | A | -1.0038 | |
| 147 | C | A | 0.0000 | |
| 148 | N | A | -1.7825 | |
| 149 | N | A | -2.3046 | |
| 150 | N | A | -2.8915 | |
| 151 | T | A | 0.0000 | |
| 152 | C | A | 0.0000 | |
| 153 | G | A | -0.8901 | |
| 154 | L | A | -0.2042 | |
| 155 | S | A | -0.0463 | |
| 156 | P | A | 0.0000 | |
| 157 | D | A | -0.3670 | |
| 158 | N | A | 0.0000 | |
| 159 | T | A | -0.3274 | |
| 160 | V | A | -0.1076 | |
| 161 | T | A | -0.7634 | |
| 162 | R | A | -1.1888 | |
| 163 | T | A | -0.6135 | |
| 164 | A | A | -0.3486 | |
| 165 | T | A | -0.1008 | |
| 166 | G | A | -0.5836 | |
| 167 | G | A | -0.4020 | |
| 168 | E | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | Y | A | -0.6594 | |
| 172 | D | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | S | A | -0.2468 | |
| 176 | V | A | 0.0000 | |
| 177 | P | A | -1.2425 | |
| 178 | S | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | N | A | -1.2352 | |
| 181 | G | A | 0.0000 | |
| 182 | F | A | 0.2924 | |
| 183 | N | A | -0.1964 | |
| 184 | P | A | 0.0000 | |
| 185 | G | A | -1.5687 | |
| 186 | R | A | -2.3804 | |
| 187 | N | A | -2.1648 | |
| 188 | V | A | 0.0000 | |
| 189 | S | A | -0.6382 | |
| 190 | V | A | -0.3678 | |
| 191 | S | A | -0.7357 | |
| 192 | Q | A | -1.4046 | |
| 193 | F | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | F | A | 0.0000 | |
| 196 | T | A | 0.0000 | |
| 197 | C | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | P | A | -0.1789 | |
| 200 | T | A | -0.0228 | |
| 201 | F | A | 1.2554 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | -0.0499 | |
| 204 | E | A | -1.1798 | |
| 205 | G | A | -0.7472 | |
| 206 | L | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | A | A | -0.5633 | |
| 209 | G | A | -0.6021 | |
| 210 | V | A | 0.0000 | |
| 211 | S | A | -0.7316 | |
| 212 | G | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | R | A | -0.4476 | |
| 219 | T | A | -1.1246 | |
| 220 | R | A | -1.7486 | |
| 221 | I | A | 0.0000 | |
| 222 | S | A | 0.0000 | |
| 223 | L | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | Q | A | 0.0000 | |
| 227 | F | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | S | A | -0.7558 | |
| 230 | A | A | -0.4870 | |
| 231 | F | A | 0.0000 | |
| 232 | S | A | -1.2491 | |
| 233 | F | A | -1.7507 | |
| 234 | D | A | -2.2484 | |
| 235 | R | A | -1.4270 | |
| 236 | K | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | A | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | L | A | 0.0000 | |
| 242 | S | A | 0.0000 | |
| 243 | S | A | 0.0990 | |
| 244 | S | A | 0.3916 | |
| 245 | V | A | 1.2798 | |
| 246 | S | A | 0.3054 | |
| 247 | S | A | -0.1389 | |
| 248 | N | A | -0.4854 | |
| 249 | G | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | F | A | 0.0000 | |
| 253 | F | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | D | A | -1.6311 | |
| 256 | G | A | -1.0467 | |
| 257 | P | A | -0.6989 | |
| 258 | Y | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | M | A | 0.0000 | |
| 261 | L | A | 0.2509 | |
| 262 | P | A | -0.4247 | |
| 263 | N | A | -0.8707 | |
| 264 | V | A | -0.7469 | |
| 265 | D | A | -0.9565 | |
| 266 | V | A | 0.0000 | |
| 267 | S | A | -1.0146 | |
| 268 | E | A | -1.8352 | |
| 269 | S | A | -0.7157 | |
| 270 | L | A | 0.0923 | |
| 271 | I | A | 0.9198 | |
| 272 | Y | A | 0.6775 | |
| 273 | T | A | 0.0000 | |
| 274 | P | A | -0.1467 | |
| 275 | L | A | 0.5095 | |
| 276 | F | A | 1.4560 | |
| 277 | I | A | 2.3788 | |
| 278 | N | A | 0.0000 | |
| 279 | P | A | -0.3445 | |
| 280 | V | A | -0.5930 | |
| 281 | S | A | 0.0000 | |
| 282 | T | A | -0.0267 | |
| 283 | A | A | -0.0090 | |
| 284 | S | A | -0.2259 | |
| 285 | A | A | 0.2745 | |
| 286 | F | A | 0.9143 | |
| 287 | S | A | -0.3235 | |
| 288 | Q | A | -1.2799 | |
| 289 | G | A | -1.0906 | |
| 290 | E | A | -0.7907 | |
| 291 | A | A | 0.1056 | |
| 292 | S | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | Y | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | I | A | 0.0000 | |
| 298 | K | A | -0.9196 | |
| 299 | V | A | 0.0000 | |
| 300 | N | A | -1.1753 | |
| 301 | S | A | -0.9882 | |
| 302 | I | A | 0.0000 | |
| 303 | K | A | -1.8845 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | -2.2123 | |
| 306 | E | A | -3.1878 | |
| 307 | K | A | -3.0328 | |
| 308 | S | A | -1.7285 | |
| 309 | V | A | 0.0000 | |
| 310 | A | A | -0.4343 | |
| 311 | V | A | -0.6626 | |
| 312 | N | A | -1.1357 | |
| 313 | T | A | -0.6752 | |
| 314 | T | A | -0.4602 | |
| 315 | L | A | -0.3598 | |
| 316 | L | A | 0.0000 | |
| 317 | S | A | -0.6563 | |
| 318 | I | A | -0.5786 | |
| 319 | D | A | -2.2196 | |
| 320 | R | A | -3.0557 | |
| 321 | D | A | -2.9273 | |
| 322 | G | A | 0.0000 | |
| 323 | V | A | -1.0751 | |
| 324 | G | A | 0.0000 | |
| 325 | G | A | 0.0000 | |
| 326 | T | A | 0.0000 | |
| 327 | K | A | 0.0000 | |
| 328 | I | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | T | A | 0.0000 | |
| 331 | V | A | 0.2536 | |
| 332 | N | A | 0.0530 | |
| 333 | P | A | 0.1410 | |
| 334 | Y | A | 0.2446 | |
| 335 | T | A | 0.0000 | |
| 336 | V | A | 0.0153 | |
| 337 | L | A | 0.0000 | |
| 338 | E | A | 0.0000 | |
| 339 | A | A | 0.0000 | |
| 340 | S | A | -1.3993 | |
| 341 | I | A | 0.0000 | |
| 342 | F | A | 0.0000 | |
| 343 | K | A | -2.3612 | |
| 344 | A | A | -1.5322 | |
| 345 | V | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | E | A | -2.2538 | |
| 348 | A | A | -1.6808 | |
| 349 | F | A | 0.0000 | |
| 350 | I | A | -1.3027 | |
| 351 | S | A | -1.3474 | |
| 352 | E | A | 0.0000 | |
| 353 | S | A | 0.0000 | |
| 354 | K | A | -2.4654 | |
| 355 | S | A | -1.2572 | |
| 356 | M | A | -1.0494 | |
| 357 | N | A | -2.4815 | |
| 358 | I | A | 0.0000 | |
| 359 | T | A | -2.2020 | |
| 360 | R | A | -2.2046 | |
| 361 | V | A | -0.8615 | |
| 362 | S | A | -0.5782 | |
| 363 | S | A | -0.9092 | |
| 364 | V | A | -0.1145 | |
| 365 | G | A | -0.6769 | |
| 366 | P | A | -0.8280 | |
| 367 | F | A | 0.0000 | |
| 368 | E | A | -1.9354 | |
| 369 | V | A | 0.0000 | |
| 370 | C | A | 0.0000 | |
| 371 | F | A | 0.0000 | |
| 372 | S | A | -2.4445 | |
| 373 | R | A | -3.5579 | |
| 374 | D | A | -3.4503 | |
| 375 | N | A | -2.3697 | |
| 376 | V | A | 0.0000 | |
| 377 | L | A | 0.6405 | |
| 378 | S | A | -0.1492 | |
| 379 | T | A | -0.4645 | |
| 380 | R | A | -1.7288 | |
| 381 | V | A | 0.0000 | |
| 382 | G | A | -0.3657 | |
| 383 | P | A | -0.3239 | |
| 384 | A | A | 0.0950 | |
| 385 | V | A | 0.3829 | |
| 386 | P | A | 0.0000 | |
| 387 | S | A | -0.8092 | |
| 388 | I | A | 0.0000 | |
| 389 | D | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | Q | A | -1.6095 | |
| 394 | N | A | -2.0964 | |
| 395 | E | A | -2.3985 | |
| 396 | S | A | -1.2820 | |
| 397 | T | A | -0.6029 | |
| 398 | F | A | -0.1264 | |
| 399 | W | A | 0.0000 | |
| 400 | R | A | -0.3744 | |
| 401 | V | A | 0.0000 | |
| 402 | F | A | -0.0401 | |
| 403 | G | A | 0.0000 | |
| 404 | A | A | -0.2979 | |
| 405 | N | A | 0.0000 | |
| 406 | S | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | V | A | -0.3158 | |
| 409 | Q | A | -1.9459 | |
| 410 | V | A | -1.0405 | |
| 411 | N | A | -2.6309 | |
| 412 | D | A | -3.7053 | |
| 413 | D | A | -3.7566 | |
| 414 | V | A | -2.3556 | |
| 415 | L | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | L | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | V | A | 0.0000 | |
| 420 | V | A | -0.5284 | |
| 421 | N | A | -1.5571 | |
| 422 | G | A | -1.1264 | |
| 423 | G | A | -1.3770 | |
| 424 | E | A | -2.3567 | |
| 425 | S | A | -1.4498 | |
| 426 | P | A | -1.3273 | |
| 427 | R | A | -1.7593 | |
| 428 | T | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | V | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | I | A | 0.0000 | |
| 433 | G | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | Y | A | 0.1677 | |
| 436 | Q | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | E | A | 0.0000 | |
| 439 | N | A | -0.1343 | |
| 440 | N | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | Q | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | D | A | 0.0000 | |
| 446 | L | A | -0.4743 | |
| 447 | A | A | -0.5504 | |
| 448 | T | A | -0.3253 | |
| 449 | S | A | -0.0475 | |
| 450 | R | A | -0.4208 | |
| 451 | L | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | S | A | 0.2963 | |
| 456 | S | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | L | A | -0.1506 | |
| 459 | F | A | 0.5481 | |
| 460 | R | A | -0.5703 | |
| 461 | Q | A | -1.1000 | |
| 462 | T | A | 0.0000 | |
| 463 | T | A | -0.1029 | |
| 464 | C | A | 0.0000 | |
| 465 | S | A | -0.3734 | |
| 466 | N | A | -0.3499 | |
| 467 | F | A | 0.0000 | |
| 468 | N | A | 0.0376 | |
| 469 | F | A | 0.2703 | |
| 470 | T | A | -0.1191 | |
| 471 | S | A | -0.9121 | |
| 472 | T | A | -1.0295 | |
| 473 | N | A | -2.0179 |
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