| Chain sequence(s) |
A: DQTVSDNELQEMSNQGSKYVNKEIQNAVNGVKQIKTLIEKTNEERKTLLSNLEEAKKKKEDALNETRESETKLKELPGVCNETMMALWEECKPCLKQTCMKFYARVCRSGSGLVGRQLEEFLNQSSPFYFWMNGDRIDSLLENDRQQTHMLDVMQDHFSRASSIIDELFQDRFFTREPQDTYHYLPFSLPHRRPHFFFPKSRIVRSLMPFSPYEPLNFHAMFQPFLEMIHEAQQAMDIHFHSPAFQHPPTEFIREGDDDRTVCREIRHNSTGCLRMKDQCDKCREILSVDCSTNNPSQAKLRRELDESLQVAERLTRKYNELLKSYQWKMLNTSSLLEQLNEQFNWVSRLANLTQGEDQYYLRVTTVASHTSDSDVPSGVTEVVVKLFDSDPITVTVPVEVSRKNPKFMETVAEKALQEYRKKHREE
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 (00:13:41)
[INFO] Main: Simulation completed successfully. (00:13:47)
|
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 | D | A | -2.4487 | |
| 2 | Q | A | -2.0622 | |
| 3 | T | A | -1.3530 | |
| 4 | V | A | -1.2750 | |
| 5 | S | A | -2.0784 | |
| 6 | D | A | -3.1451 | |
| 7 | N | A | -3.3129 | |
| 8 | E | A | -2.9582 | |
| 9 | L | A | -2.6014 | |
| 10 | Q | A | -3.3279 | |
| 11 | E | A | -3.5310 | |
| 12 | M | A | 0.0000 | |
| 13 | S | A | 0.0000 | |
| 14 | N | A | -2.1929 | |
| 15 | Q | A | -2.1907 | |
| 16 | G | A | 0.0000 | |
| 17 | S | A | -1.9590 | |
| 18 | K | A | -2.3914 | |
| 19 | Y | A | -2.3420 | |
| 20 | V | A | 0.0000 | |
| 21 | N | A | -2.9124 | |
| 22 | K | A | -3.3535 | |
| 23 | E | A | -2.7251 | |
| 24 | I | A | -2.0285 | |
| 25 | Q | A | -2.7715 | |
| 26 | N | A | -2.9188 | |
| 27 | A | A | 0.0000 | |
| 28 | V | A | -1.4700 | |
| 29 | N | A | -2.4869 | |
| 30 | G | A | -1.9433 | |
| 31 | V | A | 0.0000 | |
| 32 | K | A | -1.8761 | |
| 33 | Q | A | -1.8509 | |
| 34 | I | A | 0.0000 | |
| 35 | K | A | -1.5729 | |
| 36 | T | A | -1.4911 | |
| 37 | L | A | -0.8900 | |
| 38 | I | A | 0.0000 | |
| 39 | E | A | -3.1410 | |
| 40 | K | A | -3.3158 | |
| 41 | T | A | -2.9527 | |
| 42 | N | A | -3.2435 | |
| 43 | E | A | -4.1634 | |
| 44 | E | A | -3.7768 | |
| 45 | R | A | -3.0220 | |
| 46 | K | A | -3.0332 | |
| 47 | T | A | -2.2886 | |
| 48 | L | A | -1.9039 | |
| 49 | L | A | -1.8941 | |
| 50 | S | A | -2.2049 | |
| 51 | N | A | -2.5172 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -3.4646 | |
| 54 | E | A | -3.8588 | |
| 55 | A | A | 0.0000 | |
| 56 | K | A | -3.6106 | |
| 57 | K | A | -4.3831 | |
| 58 | K | A | -3.6220 | |
| 59 | K | A | 0.0000 | |
| 60 | E | A | -3.6660 | |
| 61 | D | A | -4.0886 | |
| 62 | A | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | N | A | -3.6060 | |
| 65 | E | A | -4.2029 | |
| 66 | T | A | 0.0000 | |
| 67 | R | A | -3.5124 | |
| 68 | E | A | -3.9273 | |
| 69 | S | A | 0.0000 | |
| 70 | E | A | -3.1861 | |
| 71 | T | A | -3.0071 | |
| 72 | K | A | -3.0958 | |
| 73 | L | A | 0.0000 | |
| 74 | K | A | -3.1739 | |
| 75 | E | A | -3.0667 | |
| 76 | L | A | -1.5898 | |
| 77 | P | A | -1.0032 | |
| 78 | G | A | -1.1409 | |
| 79 | V | A | -0.4368 | |
| 80 | C | A | -0.9860 | |
| 81 | N | A | -1.3046 | |
| 82 | E | A | -1.8777 | |
| 83 | T | A | -0.7749 | |
| 84 | M | A | 0.0000 | |
| 85 | M | A | -0.8885 | |
| 86 | A | A | -1.3067 | |
| 87 | L | A | -2.0237 | |
| 88 | W | A | 0.0000 | |
| 89 | E | A | -2.8321 | |
| 90 | E | A | -3.0338 | |
| 91 | C | A | 0.0000 | |
| 92 | K | A | -2.2220 | |
| 93 | P | A | -1.6669 | |
| 94 | C | A | -1.6495 | |
| 95 | L | A | 0.0000 | |
| 96 | K | A | -1.7236 | |
| 97 | Q | A | -1.9154 | |
| 98 | T | A | -1.4513 | |
| 99 | C | A | 0.0000 | |
| 100 | M | A | -1.4285 | |
| 101 | K | A | -2.3512 | |
| 102 | F | A | -1.5102 | |
| 103 | Y | A | 0.0000 | |
| 104 | A | A | -1.8634 | |
| 105 | R | A | -2.5175 | |
| 106 | V | A | -1.8488 | |
| 107 | C | A | 0.0000 | |
| 108 | R | A | -2.3636 | |
| 109 | S | A | -1.5846 | |
| 110 | G | A | -0.8202 | |
| 111 | S | A | -0.9329 | |
| 112 | G | A | -0.3662 | |
| 113 | L | A | 0.3911 | |
| 114 | V | A | 0.0000 | |
| 115 | G | A | -1.4911 | |
| 116 | R | A | -2.4622 | |
| 117 | Q | A | -2.3666 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.3551 | |
| 120 | E | A | -3.5843 | |
| 121 | F | A | -2.4388 | |
| 122 | L | A | 0.0000 | |
| 123 | N | A | -3.0092 | |
| 124 | Q | A | -2.4240 | |
| 125 | S | A | -1.2759 | |
| 126 | S | A | -0.3489 | |
| 127 | P | A | 0.0000 | |
| 128 | F | A | 0.1048 | |
| 129 | Y | A | 0.0564 | |
| 130 | F | A | 0.0000 | |
| 131 | W | A | 0.0000 | |
| 132 | M | A | 0.0000 | |
| 133 | N | A | -0.9898 | |
| 134 | G | A | 0.0000 | |
| 135 | D | A | -1.6703 | |
| 136 | R | A | -2.2722 | |
| 137 | I | A | 0.0000 | |
| 138 | D | A | -2.4113 | |
| 139 | S | A | -2.0680 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | -2.0836 | |
| 142 | E | A | -3.0371 | |
| 143 | N | A | -2.1249 | |
| 144 | D | A | -2.2439 | |
| 145 | R | A | -2.7936 | |
| 146 | Q | A | -2.2441 | |
| 147 | Q | A | 0.0000 | |
| 148 | T | A | -1.8179 | |
| 149 | H | A | -2.0223 | |
| 150 | M | A | 0.0000 | |
| 151 | L | A | -1.2679 | |
| 152 | D | A | -2.4490 | |
| 153 | V | A | -1.1575 | |
| 154 | M | A | 0.0000 | |
| 155 | Q | A | -2.3622 | |
| 156 | D | A | -2.9765 | |
| 157 | H | A | -2.5134 | |
| 158 | F | A | 0.0000 | |
| 159 | S | A | -2.0107 | |
| 160 | R | A | -2.9588 | |
| 161 | A | A | 0.0000 | |
| 162 | S | A | -1.9447 | |
| 163 | S | A | -1.9190 | |
| 164 | I | A | 0.0000 | |
| 165 | I | A | 0.0000 | |
| 166 | D | A | -3.3002 | |
| 167 | E | A | -3.5194 | |
| 168 | L | A | 0.0000 | |
| 169 | F | A | -2.2663 | |
| 170 | Q | A | -3.1468 | |
| 171 | D | A | -3.0526 | |
| 172 | R | A | -2.9921 | |
| 173 | F | A | -1.5308 | |
| 174 | F | A | -1.5099 | |
| 175 | T | A | -2.1661 | |
| 176 | R | A | -3.3067 | |
| 177 | E | A | -3.3950 | |
| 178 | P | A | -2.7546 | |
| 179 | Q | A | -2.8760 | |
| 180 | D | A | -2.5168 | |
| 181 | T | A | -0.7313 | |
| 182 | Y | A | 0.6541 | |
| 183 | H | A | 0.4417 | |
| 184 | Y | A | 2.0975 | |
| 185 | L | A | 2.4269 | |
| 186 | P | A | 1.7903 | |
| 187 | F | A | 2.5985 | |
| 188 | S | A | 1.5738 | |
| 189 | L | A | 1.4986 | |
| 190 | P | A | -0.4533 | |
| 191 | H | A | -2.0634 | |
| 192 | R | A | -3.3407 | |
| 193 | R | A | -3.2872 | |
| 194 | P | A | -1.5546 | |
| 195 | H | A | 0.1200 | |
| 196 | F | A | 2.7699 | |
| 197 | F | A | 3.3197 | |
| 198 | F | A | 2.7842 | |
| 199 | P | A | 0.2811 | |
| 200 | K | A | -1.5721 | |
| 201 | S | A | -1.3376 | |
| 202 | R | A | -1.2732 | |
| 203 | I | A | 1.1120 | |
| 204 | V | A | 0.8436 | |
| 205 | R | A | -0.9925 | |
| 238 | S | A | 0.7668 | |
| 239 | L | A | 2.1125 | |
| 240 | M | A | 2.0540 | |
| 241 | P | A | 1.4306 | |
| 242 | F | A | 2.2347 | |
| 243 | S | A | 0.6999 | |
| 244 | P | A | 0.3589 | |
| 245 | Y | A | 0.6894 | |
| 246 | E | A | -1.1527 | |
| 247 | P | A | -0.1365 | |
| 248 | L | A | 0.9763 | |
| 249 | N | A | -0.4804 | |
| 250 | F | A | 1.0329 | |
| 251 | H | A | -0.4520 | |
| 252 | A | A | 0.0810 | |
| 253 | M | A | 0.2124 | |
| 254 | F | A | -0.3451 | |
| 255 | Q | A | -1.1173 | |
| 256 | P | A | -1.1548 | |
| 257 | F | A | 0.0000 | |
| 258 | L | A | -1.4948 | |
| 259 | E | A | -2.6683 | |
| 260 | M | A | -2.1420 | |
| 261 | I | A | 0.0000 | |
| 262 | H | A | -3.0282 | |
| 263 | E | A | -3.4239 | |
| 264 | A | A | 0.0000 | |
| 265 | Q | A | -2.7892 | |
| 266 | Q | A | -3.0101 | |
| 267 | A | A | -2.6256 | |
| 268 | M | A | 0.0000 | |
| 269 | D | A | -2.5985 | |
| 270 | I | A | 0.0000 | |
| 271 | H | A | -1.7208 | |
| 272 | F | A | -1.2391 | |
| 273 | H | A | -1.5526 | |
| 274 | S | A | -1.1180 | |
| 275 | P | A | -1.0347 | |
| 276 | A | A | -0.8632 | |
| 277 | F | A | 0.0000 | |
| 278 | Q | A | -1.5977 | |
| 279 | H | A | -1.1015 | |
| 280 | P | A | -1.1463 | |
| 281 | P | A | -1.0247 | |
| 282 | T | A | -1.1815 | |
| 283 | E | A | -1.0629 | |
| 284 | F | A | 0.9195 | |
| 285 | I | A | -0.1354 | |
| 286 | R | A | -2.3443 | |
| 287 | E | A | -2.5221 | |
| 288 | G | A | -2.5234 | |
| 289 | D | A | -2.1546 | |
| 290 | D | A | -2.0479 | |
| 291 | D | A | -2.5666 | |
| 292 | R | A | -2.9844 | |
| 293 | T | A | -2.3290 | |
| 294 | V | A | 0.0000 | |
| 295 | C | A | 0.0000 | |
| 296 | R | A | -3.4189 | |
| 297 | E | A | -2.9207 | |
| 298 | I | A | 0.0000 | |
| 299 | R | A | -2.5160 | |
| 300 | H | A | -2.8109 | |
| 301 | N | A | -2.4674 | |
| 302 | S | A | 0.0000 | |
| 303 | T | A | -1.7715 | |
| 304 | G | A | 0.0000 | |
| 305 | C | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | R | A | -2.5278 | |
| 308 | M | A | -1.8318 | |
| 309 | K | A | -2.7164 | |
| 310 | D | A | -3.7885 | |
| 311 | Q | A | -3.0866 | |
| 312 | C | A | 0.0000 | |
| 313 | D | A | -3.9692 | |
| 314 | K | A | -3.8480 | |
| 315 | C | A | 0.0000 | |
| 316 | R | A | -3.6986 | |
| 317 | E | A | -3.3061 | |
| 318 | I | A | 0.0000 | |
| 319 | L | A | -1.2012 | |
| 320 | S | A | -1.3447 | |
| 321 | V | A | -1.1732 | |
| 322 | D | A | -1.9672 | |
| 323 | C | A | 0.0000 | |
| 324 | S | A | -1.4361 | |
| 325 | T | A | -1.1465 | |
| 326 | N | A | -1.6141 | |
| 327 | N | A | -1.2757 | |
| 328 | P | A | -1.2042 | |
| 329 | S | A | -1.2824 | |
| 330 | Q | A | 0.0000 | |
| 331 | A | A | -2.0903 | |
| 332 | K | A | -3.0298 | |
| 333 | L | A | -2.6785 | |
| 334 | R | A | -3.0905 | |
| 335 | R | A | -4.3016 | |
| 336 | E | A | -4.2486 | |
| 337 | L | A | 0.0000 | |
| 338 | D | A | -4.1752 | |
| 339 | E | A | -4.0065 | |
| 340 | S | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | Q | A | -2.2514 | |
| 343 | V | A | -1.5574 | |
| 344 | A | A | 0.0000 | |
| 345 | E | A | 0.0000 | |
| 346 | R | A | -2.3639 | |
| 347 | L | A | -2.1560 | |
| 348 | T | A | 0.0000 | |
| 349 | R | A | -2.6994 | |
| 350 | K | A | -2.4663 | |
| 351 | Y | A | 0.0000 | |
| 352 | N | A | 0.0000 | |
| 353 | E | A | -2.5754 | |
| 354 | L | A | -1.3520 | |
| 355 | L | A | 0.0000 | |
| 356 | K | A | -1.2013 | |
| 357 | S | A | -0.5170 | |
| 358 | Y | A | 0.0000 | |
| 359 | Q | A | 0.0000 | |
| 360 | W | A | 0.6103 | |
| 361 | K | A | -0.6219 | |
| 362 | M | A | 0.0000 | |
| 363 | L | A | 0.0262 | |
| 364 | N | A | -1.0077 | |
| 365 | T | A | 0.0000 | |
| 366 | S | A | -1.3262 | |
| 367 | S | A | -1.3592 | |
| 368 | L | A | -1.2091 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -3.1667 | |
| 371 | Q | A | -2.5867 | |
| 372 | L | A | 0.0000 | |
| 373 | N | A | -2.5223 | |
| 374 | E | A | -2.8399 | |
| 375 | Q | A | -1.9540 | |
| 376 | F | A | 0.0000 | |
| 377 | N | A | -1.4678 | |
| 378 | W | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | S | A | 0.0000 | |
| 381 | R | A | -0.7414 | |
| 382 | L | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | N | A | -1.6872 | |
| 385 | L | A | -1.0914 | |
| 386 | T | A | -1.5610 | |
| 387 | Q | A | -2.2594 | |
| 388 | G | A | -2.5507 | |
| 389 | E | A | -2.9904 | |
| 390 | D | A | -2.9691 | |
| 391 | Q | A | -2.1604 | |
| 392 | Y | A | -1.6602 | |
| 393 | Y | A | -0.9613 | |
| 394 | L | A | 0.0000 | |
| 395 | R | A | -2.2842 | |
| 396 | V | A | 0.0000 | |
| 397 | T | A | -0.7248 | |
| 398 | T | A | -0.2811 | |
| 399 | V | A | -0.1012 | |
| 400 | A | A | -0.6286 | |
| 401 | S | A | -0.7129 | |
| 402 | H | A | -0.9822 | |
| 403 | T | A | -1.1374 | |
| 404 | S | A | -1.5514 | |
| 405 | D | A | -2.3415 | |
| 406 | S | A | -1.8397 | |
| 407 | D | A | -2.0820 | |
| 408 | V | A | -0.8684 | |
| 409 | P | A | -0.6219 | |
| 410 | S | A | -0.7362 | |
| 411 | G | A | -0.0657 | |
| 412 | V | A | 0.2119 | |
| 413 | T | A | 0.0000 | |
| 414 | E | A | -0.1526 | |
| 415 | V | A | 0.0000 | |
| 416 | V | A | -0.1389 | |
| 417 | V | A | 0.0000 | |
| 418 | K | A | -1.8679 | |
| 419 | L | A | 0.0000 | |
| 420 | F | A | -1.6340 | |
| 421 | D | A | -2.7540 | |
| 422 | S | A | -1.8667 | |
| 423 | D | A | -2.4291 | |
| 424 | P | A | -1.6346 | |
| 425 | I | A | 0.0000 | |
| 426 | T | A | -0.5654 | |
| 427 | V | A | 0.0000 | |
| 428 | T | A | 0.0059 | |
| 429 | V | A | 0.0000 | |
| 430 | P | A | 0.0960 | |
| 431 | V | A | 0.6532 | |
| 432 | E | A | -1.0351 | |
| 433 | V | A | -0.9629 | |
| 434 | S | A | -1.4086 | |
| 435 | R | A | -1.7796 | |
| 436 | K | A | -2.4978 | |
| 437 | N | A | -2.1628 | |
| 438 | P | A | -1.8081 | |
| 439 | K | A | -1.9932 | |
| 440 | F | A | 0.0000 | |
| 441 | M | A | 0.0000 | |
| 442 | E | A | -2.3930 | |
| 443 | T | A | -1.6431 | |
| 444 | V | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | E | A | -2.9182 | |
| 447 | K | A | -2.4511 | |
| 448 | A | A | 0.0000 | |
| 449 | L | A | 0.0000 | |
| 450 | Q | A | -3.1785 | |
| 451 | E | A | -3.2653 | |
| 452 | Y | A | 0.0000 | |
| 453 | R | A | -3.3534 | |
| 454 | K | A | -4.4567 | |
| 455 | K | A | -4.2561 | |
| 456 | H | A | -3.9755 | |
| 457 | R | A | -4.4477 | |
| 458 | E | A | -4.4528 | |
| 459 | E | A | -3.8075 |
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