| Chain sequence(s) |
A: HMILKILNEIASIGSTKQKQAILEKNKDNELLKRVYRLTYSRGLQYYIKKWPKPGIATQSFGMLTLTDMLDFIEFTLATRKLTGNAAIEELTGYITDGKKDDVEVLRRVMMRDLECGASVSIANKVWPGLIPEQPQMLASSYDEKGINKNIKFPAFAQLKADGARCFAEVRGDELDDVRLLSRAGNEYLGLDLLKEELIKMTAEARQIHPEGVLIDGELVYHEQAEVAESRTASNGIANKSLKGTISEKEAQCMKFQVWDYVPLVEIYSLPAFRLKYDVRFSKLEQMTSGYDKVILIENQVVNNLDEAKVIYKKYIDQGLEGIILKNIDGLWENARSKNLYKFKEVIDVDLKIVGIYPHRKDPTKAGGFILESECGKIKVNAGSGLKDKAGVKSHELDRTRIMENQNYYIGKILECECNGWLKSDGRTDYVKLFLPIAIRLREDKKTKANTFEDVFGDFHEVTGL
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 (00:07:46)
[INFO] Main: Simulation completed successfully. (00:07:50)
|
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 | |
| 0 | H | A | -1.6062 | |
| 1 | M | A | -0.8147 | |
| 2 | I | A | 0.0000 | |
| 3 | L | A | -1.7783 | |
| 4 | K | A | -2.6270 | |
| 5 | I | A | 0.0000 | |
| 6 | L | A | 0.0000 | |
| 7 | N | A | -2.8310 | |
| 8 | E | A | -2.8050 | |
| 9 | I | A | 0.0000 | |
| 10 | A | A | -1.6527 | |
| 11 | S | A | -1.0279 | |
| 12 | I | A | -0.6672 | |
| 13 | G | A | -0.6827 | |
| 14 | S | A | -1.0155 | |
| 15 | T | A | -1.2852 | |
| 16 | K | A | -2.0909 | |
| 17 | Q | A | -1.5409 | |
| 18 | K | A | 0.0000 | |
| 19 | Q | A | -2.0246 | |
| 20 | A | A | -1.7571 | |
| 21 | I | A | 0.0000 | |
| 22 | L | A | 0.0000 | |
| 23 | E | A | -2.9971 | |
| 24 | K | A | -3.0433 | |
| 25 | N | A | -3.0518 | |
| 26 | K | A | -3.7036 | |
| 27 | D | A | -3.7112 | |
| 28 | N | A | -3.0317 | |
| 29 | E | A | -3.0877 | |
| 30 | L | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | K | A | -2.3477 | |
| 33 | R | A | -1.4219 | |
| 34 | V | A | 0.0000 | |
| 35 | Y | A | 0.0000 | |
| 36 | R | A | -1.1989 | |
| 37 | L | A | 0.0000 | |
| 38 | T | A | 0.0000 | |
| 39 | Y | A | 0.0000 | |
| 40 | S | A | -1.6178 | |
| 41 | R | A | -2.7042 | |
| 42 | G | A | -1.7757 | |
| 43 | L | A | -0.8742 | |
| 44 | Q | A | -0.9146 | |
| 45 | Y | A | 0.0000 | |
| 46 | Y | A | 0.3929 | |
| 47 | I | A | -0.5005 | |
| 48 | K | A | -2.1322 | |
| 49 | K | A | -2.3605 | |
| 50 | W | A | -1.5454 | |
| 51 | P | A | 0.0000 | |
| 52 | K | A | -2.0988 | |
| 53 | P | A | -0.8622 | |
| 54 | G | A | -0.2560 | |
| 55 | I | A | 1.9229 | |
| 56 | A | A | 1.0608 | |
| 57 | T | A | 0.3022 | |
| 58 | Q | A | -0.5496 | |
| 59 | S | A | 0.5935 | |
| 60 | F | A | 1.6927 | |
| 61 | G | A | 0.1930 | |
| 62 | M | A | 1.0149 | |
| 63 | L | A | 0.4467 | |
| 64 | T | A | -0.5679 | |
| 65 | L | A | 0.0000 | |
| 66 | T | A | -0.8077 | |
| 67 | D | A | -0.9565 | |
| 68 | M | A | 0.0000 | |
| 69 | L | A | 0.0000 | |
| 70 | D | A | -0.6740 | |
| 71 | F | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | E | A | 0.0000 | |
| 74 | F | A | 1.0253 | |
| 75 | T | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | A | A | -0.3450 | |
| 78 | T | A | -0.8013 | |
| 79 | R | A | -1.9520 | |
| 80 | K | A | -1.9515 | |
| 81 | L | A | -1.3331 | |
| 82 | T | A | -1.2177 | |
| 83 | G | A | -1.1252 | |
| 84 | N | A | -1.9508 | |
| 85 | A | A | -1.6030 | |
| 86 | A | A | 0.0000 | |
| 87 | I | A | -1.3395 | |
| 88 | E | A | -2.6101 | |
| 89 | E | A | -2.0320 | |
| 90 | L | A | 0.0000 | |
| 91 | T | A | -1.2062 | |
| 92 | G | A | -0.4908 | |
| 93 | Y | A | -0.4501 | |
| 94 | I | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | D | A | 0.0000 | |
| 97 | G | A | -0.7797 | |
| 98 | K | A | -2.4111 | |
| 99 | K | A | -3.1051 | |
| 100 | D | A | -2.6061 | |
| 101 | D | A | 0.0000 | |
| 102 | V | A | -1.3977 | |
| 103 | E | A | -1.3753 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | R | A | -0.9613 | |
| 107 | R | A | -0.9494 | |
| 108 | V | A | 0.0000 | |
| 109 | M | A | 0.0000 | |
| 110 | M | A | -1.0888 | |
| 111 | R | A | -1.3308 | |
| 112 | D | A | -1.3622 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -2.0899 | |
| 115 | C | A | 0.0000 | |
| 116 | G | A | -1.0038 | |
| 117 | A | A | 0.0000 | |
| 118 | S | A | -0.5727 | |
| 119 | V | A | -0.6562 | |
| 120 | S | A | -0.9061 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.5745 | |
| 124 | K | A | -2.1194 | |
| 125 | V | A | 0.0000 | |
| 126 | W | A | 0.0000 | |
| 127 | P | A | -1.0714 | |
| 128 | G | A | -1.2317 | |
| 129 | L | A | -1.0262 | |
| 130 | I | A | 0.0000 | |
| 131 | P | A | -1.7901 | |
| 132 | E | A | -2.6568 | |
| 133 | Q | A | -1.9689 | |
| 134 | P | A | -1.1961 | |
| 135 | Q | A | -1.5013 | |
| 136 | M | A | 0.0000 | |
| 137 | L | A | -1.2012 | |
| 138 | A | A | -0.9288 | |
| 139 | S | A | 0.0000 | |
| 140 | S | A | -1.0823 | |
| 141 | Y | A | -1.0150 | |
| 142 | D | A | -2.7854 | |
| 143 | E | A | -3.6240 | |
| 144 | K | A | -3.7918 | |
| 145 | G | A | -3.1231 | |
| 146 | I | A | 0.0000 | |
| 147 | N | A | -3.6575 | |
| 148 | K | A | -3.7297 | |
| 149 | N | A | -2.6544 | |
| 150 | I | A | 0.0000 | |
| 151 | K | A | -2.4257 | |
| 152 | F | A | -0.7677 | |
| 153 | P | A | -0.5362 | |
| 154 | A | A | 0.0000 | |
| 155 | F | A | 0.0000 | |
| 156 | A | A | 0.0000 | |
| 157 | Q | A | 0.0000 | |
| 158 | L | A | -0.7857 | |
| 159 | K | A | -0.7284 | |
| 160 | A | A | 0.0000 | |
| 161 | D | A | -0.9259 | |
| 162 | G | A | -0.8141 | |
| 163 | A | A | -0.7819 | |
| 164 | R | A | -0.8010 | |
| 165 | C | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | A | A | 0.0000 | |
| 168 | E | A | 0.0000 | |
| 169 | V | A | 0.0000 | |
| 170 | R | A | -3.0334 | |
| 171 | G | A | -2.9001 | |
| 172 | D | A | -3.8037 | |
| 173 | E | A | -3.7277 | |
| 174 | L | A | -2.8758 | |
| 175 | D | A | -3.5089 | |
| 176 | D | A | -3.4828 | |
| 177 | V | A | 0.0000 | |
| 178 | R | A | -2.7707 | |
| 179 | L | A | 0.0000 | |
| 180 | L | A | 0.0000 | |
| 181 | S | A | 0.0000 | |
| 182 | R | A | -2.4745 | |
| 183 | A | A | -2.2673 | |
| 184 | G | A | -2.6494 | |
| 185 | N | A | -2.5688 | |
| 186 | E | A | -2.0139 | |
| 187 | Y | A | 0.0000 | |
| 188 | L | A | -0.8016 | |
| 189 | G | A | -1.3211 | |
| 190 | L | A | 0.0000 | |
| 191 | D | A | -2.1702 | |
| 192 | L | A | -1.2163 | |
| 193 | L | A | 0.0000 | |
| 194 | K | A | -2.4858 | |
| 195 | E | A | -2.5878 | |
| 196 | E | A | -1.8211 | |
| 197 | L | A | 0.0000 | |
| 198 | I | A | 0.0000 | |
| 199 | K | A | -2.6448 | |
| 200 | M | A | 0.0000 | |
| 201 | T | A | 0.0000 | |
| 202 | A | A | -1.7578 | |
| 203 | E | A | -2.0017 | |
| 204 | A | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | Q | A | -1.0333 | |
| 207 | I | A | 0.8574 | |
| 208 | H | A | 0.0000 | |
| 209 | P | A | -0.7604 | |
| 210 | E | A | -0.7092 | |
| 211 | G | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | D | A | 0.0000 | |
| 216 | G | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | V | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | H | A | 0.0000 | |
| 222 | E | A | -2.1501 | |
| 223 | Q | A | -2.0648 | |
| 248 | A | A | -1.2824 | |
| 249 | E | A | -1.7052 | |
| 250 | V | A | 0.0396 | |
| 251 | A | A | -0.4626 | |
| 252 | E | A | -1.2263 | |
| 253 | S | A | -0.7395 | |
| 254 | R | A | -0.9699 | |
| 255 | T | A | -0.6129 | |
| 256 | A | A | -0.6172 | |
| 257 | S | A | 0.0000 | |
| 258 | N | A | -1.1385 | |
| 259 | G | A | -0.8708 | |
| 260 | I | A | -0.7681 | |
| 261 | A | A | 0.0000 | |
| 262 | N | A | -1.7621 | |
| 263 | K | A | -1.7931 | |
| 264 | S | A | 0.0000 | |
| 265 | L | A | -1.5139 | |
| 266 | K | A | -2.3790 | |
| 267 | G | A | -1.4311 | |
| 268 | T | A | -1.2388 | |
| 269 | I | A | -1.3570 | |
| 270 | S | A | -1.9018 | |
| 271 | E | A | -3.1766 | |
| 272 | K | A | -3.0439 | |
| 273 | E | A | -2.1808 | |
| 274 | A | A | 0.0000 | |
| 275 | Q | A | -2.5146 | |
| 276 | C | A | -1.5401 | |
| 277 | M | A | 0.0000 | |
| 278 | K | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | Q | A | -0.0679 | |
| 281 | V | A | 0.0000 | |
| 282 | W | A | -0.2682 | |
| 283 | D | A | 0.0000 | |
| 284 | Y | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | P | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | V | A | 0.9925 | |
| 289 | E | A | 0.6100 | |
| 290 | I | A | 0.6698 | |
| 291 | Y | A | 1.5407 | |
| 292 | S | A | 1.2316 | |
| 293 | L | A | 1.8768 | |
| 294 | P | A | 1.2624 | |
| 295 | A | A | 1.0542 | |
| 296 | F | A | 1.4575 | |
| 297 | R | A | -0.3210 | |
| 298 | L | A | -0.6259 | |
| 299 | K | A | -1.5802 | |
| 300 | Y | A | 0.0000 | |
| 301 | D | A | -1.5214 | |
| 302 | V | A | -0.8609 | |
| 303 | R | A | 0.0000 | |
| 304 | F | A | 0.0000 | |
| 305 | S | A | -1.5258 | |
| 306 | K | A | -1.8648 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -2.2828 | |
| 309 | Q | A | -2.3524 | |
| 310 | M | A | -1.7508 | |
| 311 | T | A | 0.0000 | |
| 312 | S | A | -1.1147 | |
| 313 | G | A | -0.8656 | |
| 314 | Y | A | -0.8620 | |
| 315 | D | A | -1.6681 | |
| 316 | K | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | I | A | 0.0299 | |
| 319 | L | A | -0.3954 | |
| 320 | I | A | 0.0000 | |
| 321 | E | A | -2.1127 | |
| 322 | N | A | -1.5203 | |
| 323 | Q | A | -1.3225 | |
| 324 | V | A | 0.0767 | |
| 325 | V | A | 0.0000 | |
| 326 | N | A | -1.9271 | |
| 327 | N | A | -2.1264 | |
| 328 | L | A | -1.7183 | |
| 329 | D | A | -2.1838 | |
| 330 | E | A | -1.6050 | |
| 331 | A | A | 0.0000 | |
| 332 | K | A | -1.3150 | |
| 333 | V | A | -0.1319 | |
| 334 | I | A | -0.9331 | |
| 335 | Y | A | 0.0000 | |
| 336 | K | A | -2.7935 | |
| 337 | K | A | -2.8708 | |
| 338 | Y | A | 0.0000 | |
| 339 | I | A | -2.1349 | |
| 340 | D | A | -3.3050 | |
| 341 | Q | A | -2.7471 | |
| 342 | G | A | -1.7757 | |
| 343 | L | A | -1.2519 | |
| 344 | E | A | -1.2211 | |
| 345 | G | A | 0.0000 | |
| 346 | I | A | 0.0000 | |
| 347 | I | A | -0.1588 | |
| 348 | L | A | 0.0000 | |
| 349 | K | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | I | A | -1.1333 | |
| 352 | D | A | -2.3518 | |
| 353 | G | A | 0.0000 | |
| 354 | L | A | -0.9046 | |
| 355 | W | A | 0.0000 | |
| 356 | E | A | -1.7522 | |
| 357 | N | A | -1.9391 | |
| 358 | A | A | -1.8818 | |
| 359 | R | A | -2.5391 | |
| 360 | S | A | 0.0000 | |
| 361 | K | A | -2.5233 | |
| 362 | N | A | -1.7228 | |
| 363 | L | A | -0.8180 | |
| 364 | Y | A | 0.0000 | |
| 365 | K | A | -0.6741 | |
| 366 | F | A | 0.0000 | |
| 367 | K | A | -0.9528 | |
| 368 | E | A | -0.5084 | |
| 369 | V | A | 0.9602 | |
| 370 | I | A | -0.0210 | |
| 371 | D | A | -1.4182 | |
| 372 | V | A | 0.0000 | |
| 373 | D | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | K | A | -1.1007 | |
| 376 | I | A | 0.0000 | |
| 377 | V | A | 0.7588 | |
| 378 | G | A | 0.6247 | |
| 379 | I | A | 0.5480 | |
| 380 | Y | A | 0.0358 | |
| 381 | P | A | -1.1389 | |
| 382 | H | A | -2.1251 | |
| 383 | R | A | -3.0321 | |
| 384 | K | A | -3.0577 | |
| 385 | D | A | -2.1658 | |
| 386 | P | A | -1.4753 | |
| 387 | T | A | -1.2852 | |
| 388 | K | A | -2.0179 | |
| 389 | A | A | 0.0000 | |
| 390 | G | A | -1.0871 | |
| 391 | G | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | I | A | 0.4960 | |
| 394 | L | A | 0.0000 | |
| 395 | E | A | -1.0935 | |
| 396 | S | A | 0.0000 | |
| 397 | E | A | -1.3134 | |
| 398 | C | A | -0.2730 | |
| 399 | G | A | -0.7760 | |
| 400 | K | A | -1.1162 | |
| 401 | I | A | 0.0000 | |
| 402 | K | A | -1.4333 | |
| 403 | V | A | 0.0000 | |
| 404 | N | A | -0.9079 | |
| 405 | A | A | 0.0000 | |
| 406 | G | A | -0.3993 | |
| 407 | S | A | -0.3351 | |
| 408 | G | A | -0.8439 | |
| 409 | L | A | 0.0000 | |
| 410 | K | A | -3.0635 | |
| 411 | D | A | -3.6218 | |
| 412 | K | A | -3.2171 | |
| 413 | A | A | -1.9258 | |
| 414 | G | A | -0.9035 | |
| 415 | V | A | 0.4181 | |
| 416 | K | A | -1.4288 | |
| 417 | S | A | -1.8451 | |
| 418 | H | A | -2.0424 | |
| 419 | E | A | -1.4963 | |
| 420 | L | A | 0.0000 | |
| 421 | D | A | 0.0000 | |
| 422 | R | A | -2.2717 | |
| 423 | T | A | -2.2892 | |
| 424 | R | A | -2.2296 | |
| 425 | I | A | 0.0000 | |
| 426 | M | A | -1.5643 | |
| 427 | E | A | -2.5148 | |
| 428 | N | A | -1.6942 | |
| 429 | Q | A | -1.2695 | |
| 430 | N | A | -1.1727 | |
| 431 | Y | A | -0.0136 | |
| 432 | Y | A | 0.0000 | |
| 433 | I | A | 0.8758 | |
| 434 | G | A | -0.0051 | |
| 435 | K | A | -1.2030 | |
| 436 | I | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | E | A | -1.2133 | |
| 439 | C | A | 0.0000 | |
| 440 | E | A | -0.6117 | |
| 441 | C | A | 0.0000 | |
| 442 | N | A | 0.2802 | |
| 443 | G | A | 0.2061 | |
| 444 | W | A | 0.1834 | |
| 445 | L | A | -0.2237 | |
| 446 | K | A | -1.9341 | |
| 447 | S | A | -2.3384 | |
| 448 | D | A | -2.8796 | |
| 449 | G | A | -2.6658 | |
| 450 | R | A | -3.1517 | |
| 451 | T | A | -2.0319 | |
| 452 | D | A | -2.1814 | |
| 453 | Y | A | -1.5906 | |
| 454 | V | A | 0.0000 | |
| 455 | K | A | -1.4757 | |
| 456 | L | A | 0.0000 | |
| 457 | F | A | 0.5404 | |
| 458 | L | A | 0.7943 | |
| 459 | P | A | 0.1962 | |
| 460 | I | A | 0.2515 | |
| 461 | A | A | 0.0000 | |
| 462 | I | A | -0.4691 | |
| 463 | R | A | -1.6502 | |
| 464 | L | A | 0.0000 | |
| 465 | R | A | -2.7247 | |
| 466 | E | A | -3.3446 | |
| 467 | D | A | -3.3684 | |
| 468 | K | A | -2.8898 | |
| 469 | T | A | -2.2948 | |
| 470 | K | A | -2.4791 | |
| 471 | A | A | 0.0000 | |
| 472 | N | A | -1.6866 | |
| 473 | T | A | -1.4260 | |
| 474 | F | A | 0.0000 | |
| 475 | E | A | -2.5967 | |
| 476 | D | A | -2.5395 | |
| 477 | V | A | -1.3114 | |
| 478 | F | A | -0.6896 | |
| 479 | G | A | -2.0806 | |
| 480 | D | A | -3.1509 | |
| 481 | F | A | 0.0000 | |
| 482 | H | A | -2.0312 | |
| 483 | E | A | -2.4469 | |
| 484 | V | A | -0.9770 | |
| 485 | T | A | 0.0000 | |
| 486 | G | A | -0.7271 | |
| 487 | L | A | -0.1851 |
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