| Chain sequence(s) |
A: ACRLENLRAQDPVRRAEAEAGFTEVWDQDNDEFQCAGVNMIRHTIRPKGLLLPGFSNAPKLIFVAQGFGIRGIAIPGCAETYQTDLRAFKDQHQKIRPFREGDLLVVPAGVSHWMYNRGQSDLVLIVFADTRNVANQIDPYLRKFYLAGRPEQVERGVEEKSGNIFSGFADEFLEEAFQIDGGLVRKLKGEDDERDRIVQVDEDFEVLLPETICTLRLKQNIGRSERADVFNPRGGRISTANYHTLPILRQVRLSAERGVLYSNAMVAPHYTVNSHSVMYATRGNARVQVVDNFGQSVFDGEVREGQVLMIPQNFVVIKRASDRGFEWIAFKTNDNAITNLLAGRVSQMRMLPLGVLSNMYRISREEAQRLKYGQQEMRVLSPGR
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 (00:05:10)
[INFO] Main: Simulation completed successfully. (00:05:14)
|
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 | |
| 26 | A | A | -0.0791 | |
| 27 | C | A | -0.6449 | |
| 28 | R | A | -2.3694 | |
| 29 | L | A | -1.8500 | |
| 30 | E | A | -2.6084 | |
| 31 | N | A | -2.8402 | |
| 32 | L | A | 0.0000 | |
| 33 | R | A | -2.0791 | |
| 34 | A | A | -1.5307 | |
| 35 | Q | A | -1.3904 | |
| 36 | D | A | -2.1211 | |
| 37 | P | A | -1.3519 | |
| 38 | V | A | -0.9529 | |
| 39 | R | A | -2.6087 | |
| 40 | R | A | -2.8135 | |
| 41 | A | A | 0.0000 | |
| 42 | E | A | -2.4593 | |
| 43 | A | A | -2.3193 | |
| 44 | E | A | -2.2301 | |
| 45 | A | A | 0.0000 | |
| 46 | G | A | -1.3684 | |
| 47 | F | A | -0.8557 | |
| 48 | T | A | 0.0000 | |
| 49 | E | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | W | A | 0.0000 | |
| 52 | D | A | -1.6311 | |
| 53 | Q | A | 0.0000 | |
| 54 | D | A | -1.6287 | |
| 55 | N | A | 0.0000 | |
| 56 | D | A | -1.9719 | |
| 57 | E | A | 0.0000 | |
| 58 | F | A | 0.0000 | |
| 59 | Q | A | -1.4483 | |
| 60 | C | A | -0.8488 | |
| 61 | A | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | N | A | 0.0000 | |
| 65 | M | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | R | A | -0.2554 | |
| 68 | H | A | 0.0000 | |
| 69 | T | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | R | A | -2.8060 | |
| 72 | P | A | -2.3645 | |
| 73 | K | A | -3.1359 | |
| 74 | G | A | 0.0000 | |
| 75 | L | A | -0.8404 | |
| 76 | L | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | P | A | 0.3624 | |
| 79 | G | A | 0.0000 | |
| 80 | F | A | 0.5763 | |
| 81 | S | A | 0.0000 | |
| 82 | N | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | P | A | 0.0000 | |
| 85 | K | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | V | A | 0.0000 | |
| 90 | A | A | -0.9272 | |
| 91 | Q | A | -1.1685 | |
| 92 | G | A | -1.2643 | |
| 93 | F | A | -0.4724 | |
| 94 | G | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | R | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | A | A | -0.1651 | |
| 100 | I | A | 0.1370 | |
| 101 | P | A | -0.2364 | |
| 102 | G | A | -0.2882 | |
| 103 | C | A | 0.0773 | |
| 104 | A | A | -0.2369 | |
| 105 | E | A | -0.5906 | |
| 106 | T | A | -0.8833 | |
| 107 | Y | A | -1.3605 | |
| 108 | Q | A | -2.4956 | |
| 109 | T | A | -2.2637 | |
| 110 | D | A | -2.4418 | |
| 111 | L | A | -1.3454 | |
| 112 | R | A | -1.6975 | |
| 120 | A | A | 0.1614 | |
| 121 | F | A | 0.3709 | |
| 122 | K | A | -2.0960 | |
| 123 | D | A | -2.2238 | |
| 124 | Q | A | -2.5259 | |
| 125 | H | A | -1.6058 | |
| 126 | Q | A | -1.1538 | |
| 127 | K | A | -1.6635 | |
| 128 | I | A | 0.0000 | |
| 129 | R | A | -1.0213 | |
| 130 | P | A | -0.8697 | |
| 131 | F | A | 0.0000 | |
| 132 | R | A | -1.5477 | |
| 133 | E | A | -2.4527 | |
| 134 | G | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | P | A | -0.3414 | |
| 141 | A | A | 0.0435 | |
| 142 | G | A | -0.2377 | |
| 143 | V | A | 0.0000 | |
| 144 | S | A | 0.2776 | |
| 145 | H | A | 0.0000 | |
| 146 | W | A | 0.1988 | |
| 147 | M | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | N | A | 0.0000 | |
| 150 | R | A | -1.7472 | |
| 151 | G | A | 0.0000 | |
| 152 | Q | A | -1.9087 | |
| 153 | S | A | -1.3197 | |
| 154 | D | A | -1.5857 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | -0.3697 | |
| 157 | L | A | 0.0000 | |
| 158 | I | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | D | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | R | A | -1.5353 | |
| 165 | N | A | 0.0000 | |
| 166 | V | A | 0.7501 | |
| 167 | A | A | 0.1058 | |
| 168 | N | A | -0.1091 | |
| 169 | Q | A | -0.3073 | |
| 170 | I | A | 0.9277 | |
| 171 | D | A | -0.1656 | |
| 172 | P | A | -0.6305 | |
| 173 | Y | A | -0.3373 | |
| 174 | L | A | 0.0000 | |
| 175 | R | A | 0.0195 | |
| 176 | K | A | 0.0000 | |
| 177 | F | A | 0.9955 | |
| 178 | Y | A | 0.0000 | |
| 179 | L | A | 0.8258 | |
| 180 | A | A | 0.0802 | |
| 181 | G | A | 0.0000 | |
| 182 | R | A | -2.5425 | |
| 183 | P | A | 0.0000 | |
| 184 | E | A | -3.0261 | |
| 185 | Q | A | -1.3412 | |
| 186 | V | A | -1.3071 | |
| 187 | E | A | 0.0000 | |
| 188 | R | A | -0.9940 | |
| 189 | G | A | -0.8232 | |
| 190 | V | A | 0.4107 | |
| 191 | E | A | -1.2467 | |
| 204 | E | A | -2.7228 | |
| 205 | K | A | -3.2397 | |
| 206 | S | A | -2.4114 | |
| 207 | G | A | -1.6137 | |
| 208 | N | A | 0.0000 | |
| 209 | I | A | 0.9054 | |
| 210 | F | A | 0.0795 | |
| 211 | S | A | -0.9558 | |
| 212 | G | A | 0.0093 | |
| 213 | F | A | 0.6653 | |
| 214 | A | A | -0.3353 | |
| 215 | D | A | -2.3105 | |
| 216 | E | A | -2.5070 | |
| 217 | F | A | -0.2149 | |
| 218 | L | A | 0.0000 | |
| 219 | E | A | -2.2835 | |
| 220 | E | A | -2.4153 | |
| 221 | A | A | -0.6320 | |
| 222 | F | A | 0.2114 | |
| 223 | Q | A | -1.4978 | |
| 224 | I | A | -1.2758 | |
| 225 | D | A | -2.6458 | |
| 226 | G | A | -2.2326 | |
| 227 | G | A | -1.6806 | |
| 228 | L | A | -1.1498 | |
| 229 | V | A | 0.0000 | |
| 230 | R | A | -3.5749 | |
| 231 | K | A | -2.9167 | |
| 232 | L | A | -1.2690 | |
| 233 | K | A | -1.9470 | |
| 234 | G | A | -2.9626 | |
| 235 | E | A | -4.0459 | |
| 236 | D | A | -3.9962 | |
| 237 | D | A | -3.1652 | |
| 238 | E | A | -3.4989 | |
| 239 | R | A | -2.8033 | |
| 240 | D | A | -2.1879 | |
| 241 | R | A | 0.0000 | |
| 242 | I | A | 0.0000 | |
| 243 | V | A | 0.0000 | |
| 244 | Q | A | -2.6364 | |
| 245 | V | A | -2.4356 | |
| 246 | D | A | -3.7198 | |
| 247 | E | A | -3.9504 | |
| 248 | D | A | -3.2075 | |
| 249 | F | A | -1.9840 | |
| 250 | E | A | -2.2765 | |
| 251 | V | A | -0.2265 | |
| 252 | L | A | -0.2607 | |
| 253 | L | A | -0.8215 | |
| 254 | P | A | -1.0974 | |
| 255 | E | A | -2.0411 | |
| 280 | T | A | 0.7090 | |
| 281 | I | A | 1.0026 | |
| 282 | C | A | 0.9652 | |
| 283 | T | A | 0.4238 | |
| 284 | L | A | 0.0756 | |
| 285 | R | A | -1.1967 | |
| 286 | L | A | -0.7200 | |
| 287 | K | A | -0.9364 | |
| 288 | Q | A | -0.8895 | |
| 289 | N | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | G | A | -2.1609 | |
| 292 | R | A | -2.9966 | |
| 293 | S | A | -2.3746 | |
| 294 | E | A | -3.1490 | |
| 295 | R | A | -3.2195 | |
| 296 | A | A | 0.0000 | |
| 297 | D | A | -2.0940 | |
| 298 | V | A | -0.5506 | |
| 299 | F | A | -0.0852 | |
| 300 | N | A | -0.3610 | |
| 301 | P | A | -0.9661 | |
| 302 | R | A | -1.8545 | |
| 303 | G | A | 0.0000 | |
| 304 | G | A | 0.0000 | |
| 305 | R | A | -0.7982 | |
| 306 | I | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | T | A | -0.7707 | |
| 309 | A | A | 0.0000 | |
| 310 | N | A | -1.0078 | |
| 311 | Y | A | -1.3604 | |
| 312 | H | A | -1.2444 | |
| 313 | T | A | -0.6790 | |
| 314 | L | A | 0.0000 | |
| 315 | P | A | -1.0707 | |
| 316 | I | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | R | A | -2.9882 | |
| 319 | Q | A | -2.1234 | |
| 320 | V | A | 0.0000 | |
| 321 | R | A | -2.0071 | |
| 322 | L | A | 0.0000 | |
| 323 | S | A | 0.0000 | |
| 324 | A | A | 0.0000 | |
| 325 | E | A | 0.0000 | |
| 326 | R | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | V | A | -0.1028 | |
| 329 | L | A | 0.0000 | |
| 330 | Y | A | -0.7572 | |
| 331 | S | A | -1.6259 | |
| 332 | N | A | -1.8456 | |
| 333 | A | A | 0.0000 | |
| 334 | M | A | -0.6282 | |
| 335 | V | A | 0.0000 | |
| 336 | A | A | 0.0000 | |
| 337 | P | A | 0.2912 | |
| 338 | H | A | 0.0000 | |
| 339 | Y | A | 0.3210 | |
| 340 | T | A | 0.0000 | |
| 341 | V | A | 0.4725 | |
| 342 | N | A | -0.0747 | |
| 343 | S | A | 0.0000 | |
| 344 | H | A | -0.6001 | |
| 345 | S | A | -0.3866 | |
| 346 | V | A | 0.0000 | |
| 347 | M | A | 0.0000 | |
| 348 | Y | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | T | A | -1.6200 | |
| 351 | R | A | -2.6826 | |
| 352 | G | A | -2.5809 | |
| 353 | N | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | R | A | -2.8477 | |
| 356 | V | A | 0.0000 | |
| 357 | Q | A | -1.3891 | |
| 358 | V | A | 0.0000 | |
| 359 | V | A | -0.4049 | |
| 360 | D | A | 0.0000 | |
| 361 | N | A | -0.6723 | |
| 362 | F | A | 0.6697 | |
| 363 | G | A | -0.2560 | |
| 364 | Q | A | -0.9176 | |
| 365 | S | A | -1.2987 | |
| 366 | V | A | 0.0000 | |
| 367 | F | A | -1.9642 | |
| 368 | D | A | -2.5842 | |
| 369 | G | A | -2.0365 | |
| 370 | E | A | -2.4889 | |
| 371 | V | A | 0.0000 | |
| 372 | R | A | -3.5231 | |
| 373 | E | A | -3.4069 | |
| 374 | G | A | 0.0000 | |
| 375 | Q | A | -2.1409 | |
| 376 | V | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | P | A | 0.0000 | |
| 381 | Q | A | -0.9964 | |
| 382 | N | A | -1.0613 | |
| 383 | F | A | 0.0000 | |
| 384 | V | A | 0.1444 | |
| 385 | V | A | 0.0000 | |
| 386 | I | A | -0.3086 | |
| 387 | K | A | -0.9397 | |
| 388 | R | A | -1.6876 | |
| 389 | A | A | 0.0000 | |
| 390 | S | A | -2.3600 | |
| 391 | D | A | -2.8757 | |
| 392 | R | A | -2.9646 | |
| 393 | G | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | E | A | 0.0000 | |
| 396 | W | A | 0.0000 | |
| 397 | I | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | F | A | 0.0000 | |
| 400 | K | A | 0.0000 | |
| 401 | T | A | -0.9109 | |
| 402 | N | A | -1.0257 | |
| 403 | D | A | 0.0000 | |
| 404 | N | A | -0.7012 | |
| 405 | A | A | 0.3095 | |
| 406 | I | A | 1.4356 | |
| 407 | T | A | 0.5904 | |
| 408 | N | A | 0.4116 | |
| 409 | L | A | 0.0000 | |
| 410 | L | A | 0.2339 | |
| 411 | A | A | -0.1759 | |
| 412 | G | A | 0.0000 | |
| 413 | R | A | -1.3377 | |
| 414 | V | A | 0.7717 | |
| 415 | S | A | 0.0000 | |
| 416 | Q | A | 0.0160 | |
| 417 | M | A | 0.5289 | |
| 418 | R | A | 0.3521 | |
| 419 | M | A | 0.9464 | |
| 420 | L | A | 0.6520 | |
| 421 | P | A | 0.0561 | |
| 422 | L | A | -0.8304 | |
| 423 | G | A | -0.6656 | |
| 424 | V | A | 0.1146 | |
| 425 | L | A | 0.0000 | |
| 426 | S | A | -1.6369 | |
| 427 | N | A | -1.4244 | |
| 428 | M | A | -0.0123 | |
| 429 | Y | A | -0.2149 | |
| 430 | R | A | -1.9094 | |
| 431 | I | A | -1.7024 | |
| 432 | S | A | -2.7822 | |
| 433 | R | A | -3.8760 | |
| 434 | E | A | -3.9840 | |
| 435 | E | A | -3.7417 | |
| 436 | A | A | 0.0000 | |
| 437 | Q | A | -2.9854 | |
| 438 | R | A | -3.1500 | |
| 439 | L | A | -1.2753 | |
| 440 | K | A | 0.0000 | |
| 441 | Y | A | -1.0844 | |
| 442 | G | A | -1.6314 | |
| 443 | Q | A | -1.5440 | |
| 444 | Q | A | -1.7883 | |
| 445 | E | A | -1.2059 | |
| 446 | M | A | -0.1664 | |
| 447 | R | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | L | A | -0.6983 | |
| 450 | S | A | -1.0578 | |
| 451 | P | A | -1.2752 | |
| 452 | G | A | -1.4479 | |
| 453 | R | A | -2.1886 |
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