| Chain sequence(s) |
A: MDNQNGRISIALLPFLAHGHISPFFELAKQLAKRNCNVFLCSTPINLSSIKDKDSSASIKLVELHLPSSPDLPPHYHTTNGLPSHLMLPLRNAFETAGPTFSEILKTLNPDLLIYDFNPSWAPEIASSHNIPAVYFLTTAAASSSCGLHAFKNPGEKYPFPDFGDNSNITPEPPSADNMKLLHDFIACFERSCDIILIKSFRELEGKYIDLLSTLSDKTLVPVGPLVQDPMGHNEDPKTEQIINWLDKRAESTVVFVCFGSEYFLSNEELEEVAIGLEISTVNFIWAVRLIEGEKKGILPEGFVQRVGDRGLVVEGWAPQARILGHSSTGGFVSHCGWSSIAESMKFGVPVIAMARHLDQPLNGKLAAEVGVGMEVVRDENGKYKREGIAEVIRKVVVEKSGEVIRRKARELSEKMKEKGEQEIDRALEELVQICKKKKDEQ
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] (00:00:00)
[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 (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:26)
[INFO] Main: Simulation completed successfully. (00:08:28)
|
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 | -0.3087 | |
| 2 | D | A | -2.5171 | |
| 3 | N | A | -3.2286 | |
| 4 | Q | A | -3.1557 | |
| 5 | N | A | -3.2021 | |
| 6 | G | A | -2.6880 | |
| 7 | R | A | -2.8052 | |
| 8 | I | A | 0.0000 | |
| 9 | S | A | -1.2141 | |
| 10 | I | A | 0.0000 | |
| 11 | A | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | P | A | 0.0000 | |
| 15 | F | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | A | A | 0.0000 | |
| 18 | H | A | -0.7157 | |
| 19 | G | A | -0.7904 | |
| 20 | H | A | -0.3602 | |
| 21 | I | A | 0.0000 | |
| 22 | S | A | -0.3672 | |
| 23 | P | A | 0.0000 | |
| 24 | F | A | 0.0000 | |
| 25 | F | A | 0.0000 | |
| 26 | E | A | -0.6522 | |
| 27 | L | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | K | A | -1.0496 | |
| 30 | Q | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | A | A | -1.6942 | |
| 33 | K | A | -2.4369 | |
| 34 | R | A | -2.3048 | |
| 35 | N | A | -2.6538 | |
| 36 | C | A | 0.0000 | |
| 37 | N | A | -1.7676 | |
| 38 | V | A | 0.0000 | |
| 39 | F | A | -0.4911 | |
| 40 | L | A | 0.0000 | |
| 41 | C | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | P | A | -0.7961 | |
| 45 | I | A | -0.1064 | |
| 46 | N | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | S | A | -0.8254 | |
| 49 | S | A | -0.8653 | |
| 50 | I | A | 0.0000 | |
| 51 | K | A | -2.4956 | |
| 52 | D | A | -3.1564 | |
| 53 | K | A | -2.5901 | |
| 54 | D | A | -2.0353 | |
| 55 | S | A | -1.2348 | |
| 56 | S | A | -0.8489 | |
| 57 | A | A | -0.4750 | |
| 58 | S | A | -1.2463 | |
| 59 | I | A | 0.0000 | |
| 60 | K | A | -1.3811 | |
| 61 | L | A | -0.9220 | |
| 62 | V | A | -0.8785 | |
| 63 | E | A | -1.9020 | |
| 64 | L | A | 0.0000 | |
| 65 | H | A | -1.5788 | |
| 66 | L | A | 0.0000 | |
| 67 | P | A | -0.6614 | |
| 68 | S | A | -1.0260 | |
| 69 | S | A | -1.0322 | |
| 70 | P | A | -1.2543 | |
| 71 | D | A | -2.0013 | |
| 72 | L | A | 0.0000 | |
| 73 | P | A | -1.0557 | |
| 74 | P | A | -0.9754 | |
| 75 | H | A | -0.8957 | |
| 76 | Y | A | -0.5357 | |
| 77 | H | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | T | A | 0.0000 | |
| 80 | N | A | -0.8302 | |
| 81 | G | A | -0.7099 | |
| 82 | L | A | 0.0000 | |
| 83 | P | A | -0.5293 | |
| 84 | S | A | -0.6553 | |
| 85 | H | A | -0.8724 | |
| 86 | L | A | 0.0000 | |
| 87 | M | A | -0.1016 | |
| 88 | L | A | 0.2006 | |
| 89 | P | A | -0.6240 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.6269 | |
| 92 | N | A | -1.3840 | |
| 93 | A | A | -0.9153 | |
| 94 | F | A | 0.0000 | |
| 95 | E | A | -1.2177 | |
| 96 | T | A | -0.7924 | |
| 97 | A | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | P | A | -0.7407 | |
| 100 | T | A | -0.9029 | |
| 101 | F | A | 0.0000 | |
| 102 | S | A | -1.4282 | |
| 103 | E | A | -2.4548 | |
| 104 | I | A | -1.5558 | |
| 105 | L | A | 0.0000 | |
| 106 | K | A | -2.5613 | |
| 107 | T | A | -1.4952 | |
| 108 | L | A | -1.0769 | |
| 109 | N | A | -2.1198 | |
| 110 | P | A | 0.0000 | |
| 111 | D | A | -1.2609 | |
| 112 | L | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | Y | A | 0.0000 | |
| 116 | D | A | 0.0000 | |
| 117 | F | A | 0.2211 | |
| 118 | N | A | 0.0000 | |
| 119 | P | A | 0.0000 | |
| 120 | S | A | -0.3037 | |
| 121 | W | A | -0.3103 | |
| 122 | A | A | 0.0000 | |
| 123 | P | A | 0.0000 | |
| 124 | E | A | -1.2401 | |
| 125 | I | A | -0.7938 | |
| 126 | A | A | 0.0000 | |
| 127 | S | A | -1.2377 | |
| 128 | S | A | -1.0071 | |
| 129 | H | A | -1.6490 | |
| 130 | N | A | -2.1917 | |
| 131 | I | A | 0.0000 | |
| 132 | P | A | 0.0000 | |
| 133 | A | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | F | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | T | A | -0.1498 | |
| 140 | A | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | A | A | 0.0000 | |
| 143 | S | A | 0.0000 | |
| 144 | S | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | C | A | -0.0635 | |
| 147 | G | A | 0.2564 | |
| 148 | L | A | 0.0000 | |
| 149 | H | A | 0.0000 | |
| 150 | A | A | -0.6996 | |
| 151 | F | A | 0.0210 | |
| 152 | K | A | -1.2084 | |
| 153 | N | A | -1.7983 | |
| 154 | P | A | -1.5087 | |
| 155 | G | A | -1.9704 | |
| 156 | E | A | -3.1257 | |
| 157 | K | A | -3.1213 | |
| 158 | Y | A | -1.9027 | |
| 159 | P | A | -0.8402 | |
| 160 | F | A | -0.8812 | |
| 161 | P | A | -1.7805 | |
| 162 | D | A | -2.5725 | |
| 163 | F | A | 0.0000 | |
| 164 | G | A | -2.0069 | |
| 165 | D | A | -2.8161 | |
| 166 | N | A | -2.7837 | |
| 167 | S | A | -1.2885 | |
| 168 | N | A | -1.0096 | |
| 169 | I | A | 0.5598 | |
| 170 | T | A | -0.0692 | |
| 171 | P | A | -0.8972 | |
| 172 | E | A | -1.9089 | |
| 173 | P | A | -1.4367 | |
| 174 | P | A | -1.3512 | |
| 175 | S | A | -1.1389 | |
| 176 | A | A | -0.8248 | |
| 177 | D | A | -1.1495 | |
| 178 | N | A | -1.3167 | |
| 179 | M | A | -1.1989 | |
| 180 | K | A | -2.0734 | |
| 181 | L | A | -0.9469 | |
| 182 | L | A | -0.4405 | |
| 183 | H | A | -1.1058 | |
| 184 | D | A | -0.8505 | |
| 185 | F | A | -0.2988 | |
| 186 | I | A | 0.0000 | |
| 187 | A | A | -0.9369 | |
| 188 | C | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | E | A | -2.7400 | |
| 191 | R | A | -2.1093 | |
| 192 | S | A | 0.0000 | |
| 193 | C | A | -1.2437 | |
| 194 | D | A | -2.4676 | |
| 195 | I | A | 0.0000 | |
| 196 | I | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | K | A | 0.0000 | |
| 200 | S | A | 0.0000 | |
| 201 | F | A | 0.0000 | |
| 202 | R | A | -2.5849 | |
| 203 | E | A | -2.7795 | |
| 204 | L | A | 0.0000 | |
| 205 | E | A | 0.0000 | |
| 206 | G | A | -2.1606 | |
| 207 | K | A | -2.2976 | |
| 208 | Y | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | D | A | -1.8651 | |
| 211 | L | A | -0.9743 | |
| 212 | L | A | 0.0000 | |
| 213 | S | A | -1.2282 | |
| 214 | T | A | -0.9523 | |
| 215 | L | A | -0.7481 | |
| 216 | S | A | 0.0000 | |
| 217 | D | A | -2.4618 | |
| 218 | K | A | -2.1849 | |
| 219 | T | A | -1.1842 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | P | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | P | A | -0.3294 | |
| 226 | L | A | -0.5531 | |
| 227 | V | A | -0.6242 | |
| 228 | Q | A | -1.5679 | |
| 229 | D | A | -2.0172 | |
| 230 | P | A | -1.1278 | |
| 231 | M | A | -0.4655 | |
| 232 | G | A | -1.4806 | |
| 233 | H | A | -2.4355 | |
| 234 | N | A | -3.0598 | |
| 235 | E | A | -3.6462 | |
| 236 | D | A | -3.1195 | |
| 237 | P | A | -2.4110 | |
| 238 | K | A | -2.1059 | |
| 239 | T | A | 0.0000 | |
| 240 | E | A | -3.2335 | |
| 241 | Q | A | -2.8015 | |
| 242 | I | A | 0.0000 | |
| 243 | I | A | -1.9311 | |
| 244 | N | A | -2.3092 | |
| 245 | W | A | 0.0000 | |
| 246 | L | A | 0.0000 | |
| 247 | D | A | -3.1962 | |
| 248 | K | A | -2.9488 | |
| 249 | R | A | -2.1807 | |
| 250 | A | A | -1.6892 | |
| 251 | E | A | -2.3756 | |
| 252 | S | A | -0.9013 | |
| 253 | T | A | -0.4745 | |
| 254 | V | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | C | A | 0.1264 | |
| 259 | F | A | 0.0000 | |
| 260 | G | A | -0.4368 | |
| 261 | S | A | -0.7771 | |
| 262 | E | A | -1.5177 | |
| 263 | Y | A | -0.4811 | |
| 264 | F | A | -0.1206 | |
| 265 | L | A | 0.0000 | |
| 266 | S | A | -1.4668 | |
| 267 | N | A | -2.2224 | |
| 268 | E | A | -2.7804 | |
| 269 | E | A | -2.0654 | |
| 270 | L | A | 0.0000 | |
| 271 | E | A | -1.9881 | |
| 272 | E | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | I | A | -0.2310 | |
| 276 | G | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | E | A | 0.1418 | |
| 279 | I | A | 0.4635 | |
| 280 | S | A | 0.0000 | |
| 281 | T | A | 0.1631 | |
| 282 | V | A | 0.0000 | |
| 283 | N | A | -0.7696 | |
| 284 | F | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | W | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | R | A | -0.4188 | |
| 290 | L | A | -0.5504 | |
| 291 | I | A | -1.2589 | |
| 292 | E | A | -2.6263 | |
| 293 | G | A | -2.4765 | |
| 294 | E | A | -3.1861 | |
| 295 | K | A | -2.9040 | |
| 296 | K | A | -2.0813 | |
| 297 | G | A | 0.0000 | |
| 298 | I | A | -0.0285 | |
| 299 | L | A | 0.1403 | |
| 300 | P | A | -0.8349 | |
| 301 | E | A | -1.8727 | |
| 302 | G | A | -1.4488 | |
| 303 | F | A | 0.0000 | |
| 304 | V | A | -0.1398 | |
| 305 | Q | A | -1.9021 | |
| 306 | R | A | -2.3650 | |
| 307 | V | A | 0.0000 | |
| 308 | G | A | -1.8137 | |
| 309 | D | A | -2.2704 | |
| 310 | R | A | -1.4722 | |
| 311 | G | A | -0.8112 | |
| 312 | L | A | -0.0582 | |
| 313 | V | A | 0.3923 | |
| 314 | V | A | 0.0000 | |
| 315 | E | A | -1.4007 | |
| 316 | G | A | -0.3207 | |
| 317 | W | A | 0.4906 | |
| 318 | A | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | Q | A | -0.0849 | |
| 321 | A | A | 0.0000 | |
| 322 | R | A | -0.7223 | |
| 323 | I | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -0.5239 | |
| 326 | H | A | -0.8629 | |
| 327 | S | A | -1.1979 | |
| 328 | S | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | G | A | 0.0000 | |
| 332 | F | A | 0.0000 | |
| 333 | V | A | 0.0000 | |
| 334 | S | A | 0.0000 | |
| 335 | H | A | -0.2769 | |
| 336 | C | A | 0.0000 | |
| 337 | G | A | -0.3105 | |
| 338 | W | A | 0.0000 | |
| 339 | S | A | -0.1995 | |
| 340 | S | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | E | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | K | A | -1.2873 | |
| 347 | F | A | -0.6373 | |
| 348 | G | A | -1.2645 | |
| 349 | V | A | 0.0000 | |
| 350 | P | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | R | A | -0.5047 | |
| 357 | H | A | -0.2389 | |
| 358 | L | A | 0.8836 | |
| 359 | D | A | 0.2174 | |
| 360 | Q | A | 0.0000 | |
| 361 | P | A | -0.3649 | |
| 362 | L | A | -0.1100 | |
| 363 | N | A | 0.0000 | |
| 364 | G | A | 0.0000 | |
| 365 | K | A | -1.2190 | |
| 366 | L | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -1.0804 | |
| 369 | E | A | -1.9294 | |
| 370 | V | A | -0.6988 | |
| 371 | G | A | -0.5811 | |
| 372 | V | A | 0.0000 | |
| 373 | G | A | 0.0000 | |
| 374 | M | A | -0.6290 | |
| 375 | E | A | -1.0629 | |
| 376 | V | A | 0.0000 | |
| 377 | V | A | -0.0488 | |
| 378 | R | A | -1.6831 | |
| 379 | D | A | -2.4316 | |
| 380 | E | A | -2.9622 | |
| 381 | N | A | -2.8524 | |
| 382 | G | A | -2.1651 | |
| 383 | K | A | -2.2542 | |
| 384 | Y | A | 0.0000 | |
| 385 | K | A | -2.1110 | |
| 386 | R | A | -1.8512 | |
| 387 | E | A | -2.3085 | |
| 388 | G | A | -1.8994 | |
| 389 | I | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | E | A | -2.5684 | |
| 392 | V | A | 0.0000 | |
| 393 | I | A | 0.0000 | |
| 394 | R | A | -1.4995 | |
| 395 | K | A | -2.0462 | |
| 396 | V | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | V | A | -0.1000 | |
| 399 | E | A | -1.9247 | |
| 400 | K | A | -2.3681 | |
| 401 | S | A | -1.4474 | |
| 402 | G | A | 0.0000 | |
| 403 | E | A | -2.1920 | |
| 404 | V | A | -0.2255 | |
| 405 | I | A | -0.6234 | |
| 406 | R | A | -1.7438 | |
| 407 | R | A | -2.5463 | |
| 408 | K | A | -2.0132 | |
| 409 | A | A | 0.0000 | |
| 410 | R | A | -2.3774 | |
| 411 | E | A | -2.9823 | |
| 412 | L | A | 0.0000 | |
| 413 | S | A | 0.0000 | |
| 414 | E | A | -3.9862 | |
| 415 | K | A | -3.6634 | |
| 416 | M | A | 0.0000 | |
| 417 | K | A | -4.0621 | |
| 418 | E | A | -4.0386 | |
| 419 | K | A | -3.3464 | |
| 420 | G | A | -3.0717 | |
| 421 | E | A | -3.1882 | |
| 422 | Q | A | -3.0600 | |
| 423 | E | A | -2.2281 | |
| 424 | I | A | 0.0000 | |
| 425 | D | A | -3.3476 | |
| 426 | R | A | -2.8455 | |
| 427 | A | A | 0.0000 | |
| 428 | L | A | -1.8695 | |
| 429 | E | A | -2.8964 | |
| 430 | E | A | -2.4803 | |
| 431 | L | A | 0.0000 | |
| 432 | V | A | -1.6355 | |
| 433 | Q | A | -2.4528 | |
| 434 | I | A | 0.0000 | |
| 435 | C | A | 0.0000 | |
| 436 | K | A | -3.4391 | |
| 437 | K | A | -4.1284 | |
| 438 | K | A | -4.0167 | |
| 439 | K | A | -4.3196 | |
| 440 | D | A | -4.5472 | |
| 441 | E | A | -4.3272 | |
| 442 | Q | A | -3.5011 |
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