| Chain sequence(s) |
A: MHHHHEGVSGQTLRVLMFPWLALGHVNPFLRIAKQLADRGFVIYLVSTAINLESIKKRIPEKYRNSIHLVELALPELPELPPHYHTTNGLPPHLNGTLHKALKMSAPNFSKILQNLKPDLVLYDFLQPWAEKVSLEQGIPAVPVLTSGAALFSYFFNFLKRPGHEFPFPAIRLSKREQDKMREMFGTEPTEEDFLAPGNAGIMLMCTSRVIEAKYLDYCTELTNVKVVPVGPPFQDPLTEDIDDPELIDWLDTKPENSVVYVSFGSEYFLSREDMEEVAFGLELSNVNFIWVARFPKGEEQNLEDVLPKGFLERVGDRGRVLDHLVPQAHILNHPSTGGFISHCGWNSVMESIDFGVPIIAMPMQWDQPINARLLVELGVAVEIVRDEDGRIHRGEIAQVLKDVISGPTGEILRAKVRDISKRLRARREEEMNAAAEELIQLCRNRNAYK
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 (00:06:37)
[INFO] Main: Simulation completed successfully. (00:06:39)
|
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 | 0.1981 | |
| 2 | H | A | -1.3561 | |
| 3 | H | A | -2.1922 | |
| 4 | H | A | -2.6908 | |
| 5 | H | A | -2.6560 | |
| 6 | E | A | -2.4993 | |
| 7 | G | A | -1.0581 | |
| 8 | V | A | 0.5132 | |
| 9 | S | A | -0.3122 | |
| 10 | G | A | -0.7025 | |
| 11 | Q | A | -1.3545 | |
| 12 | T | A | -0.9161 | |
| 13 | L | A | -0.7937 | |
| 14 | R | A | -0.9839 | |
| 15 | V | A | 0.0000 | |
| 16 | L | A | 0.0000 | |
| 17 | M | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | W | A | 0.0000 | |
| 21 | L | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | -0.0886 | |
| 24 | G | A | -0.3555 | |
| 25 | H | A | -0.1406 | |
| 26 | V | A | 0.0000 | |
| 27 | N | A | 0.0000 | |
| 28 | P | A | 0.0000 | |
| 29 | F | A | 0.0000 | |
| 30 | L | A | 0.0000 | |
| 31 | R | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | A | A | 0.0000 | |
| 34 | K | A | -0.9559 | |
| 35 | Q | A | -1.4188 | |
| 36 | L | A | 0.0000 | |
| 37 | A | A | -1.5621 | |
| 38 | D | A | -2.3860 | |
| 39 | R | A | -1.7741 | |
| 40 | G | A | -1.3454 | |
| 41 | F | A | 0.0000 | |
| 42 | V | A | -0.5661 | |
| 43 | I | A | 0.0000 | |
| 44 | Y | A | -0.2914 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | 0.0000 | |
| 48 | T | A | 0.0000 | |
| 49 | A | A | -0.8368 | |
| 50 | I | A | -0.5693 | |
| 51 | N | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | E | A | -2.5646 | |
| 54 | S | A | -1.8477 | |
| 55 | I | A | 0.0000 | |
| 56 | K | A | -3.1773 | |
| 57 | K | A | -3.2942 | |
| 58 | R | A | -2.2739 | |
| 59 | I | A | -2.0264 | |
| 60 | P | A | -2.3022 | |
| 61 | E | A | -3.3863 | |
| 62 | K | A | -3.5479 | |
| 63 | Y | A | 0.0000 | |
| 64 | R | A | -3.7067 | |
| 65 | N | A | -2.8571 | |
| 66 | S | A | -1.9494 | |
| 67 | I | A | 0.0000 | |
| 68 | H | A | -1.5099 | |
| 69 | L | A | -1.2404 | |
| 70 | V | A | -0.7239 | |
| 71 | E | A | -1.5804 | |
| 72 | L | A | 0.0000 | |
| 73 | A | A | -0.7368 | |
| 74 | L | A | 0.0000 | |
| 75 | P | A | -1.2145 | |
| 76 | E | A | -2.0296 | |
| 77 | L | A | -1.2811 | |
| 78 | P | A | -1.2831 | |
| 79 | E | A | -1.6797 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1508 | |
| 82 | P | A | -0.8020 | |
| 83 | H | A | -0.8925 | |
| 84 | Y | A | -0.6445 | |
| 85 | H | A | -0.3738 | |
| 86 | T | A | 0.0000 | |
| 87 | T | A | 0.0000 | |
| 88 | N | A | -0.5331 | |
| 89 | G | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | P | A | -0.9522 | |
| 93 | H | A | -1.2456 | |
| 94 | L | A | -1.1557 | |
| 95 | N | A | -1.3245 | |
| 96 | G | A | -1.4272 | |
| 97 | T | A | -1.5333 | |
| 98 | L | A | 0.0000 | |
| 99 | H | A | -1.7779 | |
| 100 | K | A | -2.4616 | |
| 101 | A | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | K | A | -2.0145 | |
| 104 | M | A | -0.9076 | |
| 105 | S | A | 0.0000 | |
| 106 | A | A | -0.8527 | |
| 107 | P | A | -0.8897 | |
| 108 | N | A | -1.2316 | |
| 109 | F | A | 0.0000 | |
| 110 | S | A | -1.6718 | |
| 111 | K | A | -2.6800 | |
| 112 | I | A | -1.9316 | |
| 113 | L | A | 0.0000 | |
| 114 | Q | A | -2.9190 | |
| 115 | N | A | -2.6141 | |
| 116 | L | A | -1.8345 | |
| 117 | K | A | -2.8114 | |
| 118 | P | A | 0.0000 | |
| 119 | D | A | -1.6806 | |
| 120 | L | A | 0.0000 | |
| 121 | V | A | 0.0000 | |
| 122 | L | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | F | A | 0.2447 | |
| 126 | L | A | 0.2913 | |
| 127 | Q | A | 0.0000 | |
| 128 | P | A | -0.8748 | |
| 129 | W | A | -0.9021 | |
| 130 | A | A | 0.0000 | |
| 131 | E | A | -1.2368 | |
| 132 | K | A | -2.0766 | |
| 133 | V | A | -1.4063 | |
| 134 | S | A | 0.0000 | |
| 135 | L | A | -1.4366 | |
| 136 | E | A | -2.2543 | |
| 137 | Q | A | -1.7791 | |
| 138 | G | A | -1.3340 | |
| 139 | I | A | 0.0000 | |
| 140 | P | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | P | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | L | A | 0.0000 | |
| 146 | T | A | 0.0000 | |
| 147 | S | A | -0.1081 | |
| 148 | G | A | 0.0000 | |
| 149 | A | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | S | A | 0.0000 | |
| 154 | Y | A | 0.1735 | |
| 155 | F | A | 0.0462 | |
| 156 | F | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | F | A | -0.8232 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -1.8834 | |
| 161 | R | A | -2.0662 | |
| 162 | P | A | -1.6149 | |
| 163 | G | A | -1.7571 | |
| 164 | H | A | -2.5390 | |
| 165 | E | A | -2.5552 | |
| 166 | F | A | 0.0000 | |
| 167 | P | A | -0.9986 | |
| 168 | F | A | -0.6975 | |
| 169 | P | A | -1.0466 | |
| 170 | A | A | -0.7269 | |
| 171 | I | A | 0.0000 | |
| 172 | R | A | -2.2594 | |
| 173 | L | A | 0.0000 | |
| 174 | S | A | -2.4909 | |
| 175 | K | A | -3.6280 | |
| 176 | R | A | -3.9614 | |
| 177 | E | A | -3.1612 | |
| 178 | Q | A | -3.2936 | |
| 179 | D | A | -3.4080 | |
| 180 | K | A | -3.4235 | |
| 181 | M | A | 0.0000 | |
| 182 | R | A | -3.0139 | |
| 183 | E | A | -3.0344 | |
| 184 | M | A | -1.3816 | |
| 185 | F | A | 0.0000 | |
| 186 | G | A | -1.8102 | |
| 187 | T | A | -1.6410 | |
| 188 | E | A | -2.3048 | |
| 189 | P | A | -1.8485 | |
| 190 | T | A | -2.4265 | |
| 191 | E | A | -3.2802 | |
| 192 | E | A | -3.3122 | |
| 193 | D | A | -2.8361 | |
| 194 | F | A | -1.2579 | |
| 195 | L | A | -1.4532 | |
| 196 | A | A | -1.4064 | |
| 197 | P | A | -1.1162 | |
| 198 | G | A | -0.9564 | |
| 199 | N | A | -1.3324 | |
| 200 | A | A | -1.0596 | |
| 201 | G | A | -1.1681 | |
| 202 | I | A | -1.0629 | |
| 203 | M | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | C | A | 0.0000 | |
| 207 | T | A | 0.0000 | |
| 208 | S | A | 0.0000 | |
| 209 | R | A | -1.4861 | |
| 210 | V | A | -1.0220 | |
| 211 | I | A | 0.0000 | |
| 212 | E | A | 0.0000 | |
| 213 | A | A | -1.3690 | |
| 214 | K | A | -1.9112 | |
| 215 | Y | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | D | A | -2.2634 | |
| 218 | Y | A | 0.0000 | |
| 219 | C | A | 0.0000 | |
| 220 | T | A | -2.0787 | |
| 221 | E | A | -2.6577 | |
| 222 | L | A | 0.0000 | |
| 223 | T | A | 0.0000 | |
| 224 | N | A | -2.2326 | |
| 225 | V | A | 0.0000 | |
| 226 | K | A | -2.2724 | |
| 227 | V | A | -1.1426 | |
| 228 | V | A | 0.0000 | |
| 229 | P | A | -0.5412 | |
| 230 | V | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | P | A | -0.3956 | |
| 233 | P | A | 0.0000 | |
| 234 | F | A | -0.0824 | |
| 235 | Q | A | -0.3739 | |
| 236 | D | A | -0.5723 | |
| 237 | P | A | 0.0000 | |
| 238 | L | A | 0.9148 | |
| 239 | T | A | -0.2043 | |
| 240 | E | A | -1.3398 | |
| 241 | D | A | -2.2511 | |
| 242 | I | A | -1.3030 | |
| 243 | D | A | -2.3192 | |
| 244 | D | A | -1.9169 | |
| 245 | P | A | -2.1013 | |
| 246 | E | A | -2.9116 | |
| 247 | L | A | 0.0000 | |
| 248 | I | A | -1.9007 | |
| 249 | D | A | -3.0789 | |
| 250 | W | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | D | A | -2.9598 | |
| 253 | T | A | -1.6511 | |
| 254 | K | A | -1.7371 | |
| 255 | P | A | -1.7549 | |
| 256 | E | A | -2.5425 | |
| 257 | N | A | -1.5406 | |
| 258 | S | A | -1.0938 | |
| 259 | V | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | Y | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | S | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | -0.2750 | |
| 266 | S | A | -0.4717 | |
| 267 | E | A | -0.9121 | |
| 268 | Y | A | -0.2372 | |
| 269 | F | A | -0.0270 | |
| 270 | L | A | -0.5677 | |
| 271 | S | A | -1.5450 | |
| 272 | R | A | -2.9785 | |
| 273 | E | A | -3.3578 | |
| 274 | D | A | 0.0000 | |
| 275 | M | A | 0.0000 | |
| 276 | E | A | -2.2456 | |
| 277 | E | A | -2.1308 | |
| 278 | V | A | 0.0000 | |
| 279 | A | A | 0.0000 | |
| 280 | F | A | -0.0339 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | E | A | -0.2428 | |
| 284 | L | A | 0.4721 | |
| 285 | S | A | 0.0000 | |
| 286 | N | A | -1.1483 | |
| 287 | V | A | 0.0000 | |
| 288 | N | A | -1.0646 | |
| 289 | F | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | W | A | 0.0000 | |
| 292 | V | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | R | A | -1.2305 | |
| 295 | F | A | -1.8257 | |
| 296 | P | A | -1.7817 | |
| 297 | K | A | -1.8449 | |
| 298 | G | A | -2.1800 | |
| 299 | E | A | -3.2506 | |
| 300 | E | A | -3.7324 | |
| 301 | Q | A | -3.5374 | |
| 302 | N | A | -3.2532 | |
| 303 | L | A | -2.3925 | |
| 304 | E | A | -3.5412 | |
| 305 | D | A | -3.4707 | |
| 306 | V | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | P | A | -1.6173 | |
| 309 | K | A | -2.7224 | |
| 310 | G | A | -2.0053 | |
| 311 | F | A | 0.0000 | |
| 312 | L | A | -1.7340 | |
| 313 | E | A | -3.0226 | |
| 314 | R | A | -2.8402 | |
| 315 | V | A | 0.0000 | |
| 316 | G | A | -2.2772 | |
| 317 | D | A | -2.5574 | |
| 318 | R | A | -1.7775 | |
| 319 | G | A | 0.0000 | |
| 320 | R | A | -0.8861 | |
| 321 | V | A | -0.1832 | |
| 322 | L | A | -0.4930 | |
| 323 | D | A | -1.7009 | |
| 324 | H | A | -0.8156 | |
| 325 | L | A | -0.2737 | |
| 326 | V | A | -0.2553 | |
| 327 | P | A | -0.6153 | |
| 328 | Q | A | -0.2249 | |
| 329 | A | A | 0.0000 | |
| 330 | H | A | -0.7971 | |
| 331 | I | A | 0.0000 | |
| 332 | L | A | 0.0000 | |
| 333 | N | A | -1.3397 | |
| 334 | H | A | -1.3268 | |
| 335 | P | A | -1.6021 | |
| 336 | S | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | G | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | F | A | 0.0000 | |
| 341 | I | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | H | A | 0.0000 | |
| 344 | C | A | 0.0000 | |
| 345 | G | A | -0.2204 | |
| 346 | W | A | 0.0000 | |
| 347 | N | A | -0.1945 | |
| 348 | S | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | M | A | 0.0000 | |
| 351 | E | A | 0.0000 | |
| 352 | S | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | D | A | -1.1163 | |
| 355 | F | A | -0.6481 | |
| 356 | G | A | 0.0000 | |
| 357 | V | A | 0.0000 | |
| 358 | P | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | P | A | 0.0237 | |
| 364 | M | A | 0.0000 | |
| 365 | Q | A | -0.3636 | |
| 366 | W | A | 0.3164 | |
| 367 | D | A | 0.0000 | |
| 368 | Q | A | 0.0000 | |
| 369 | P | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | N | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | R | A | -0.5403 | |
| 374 | L | A | 0.0000 | |
| 375 | L | A | 0.0000 | |
| 376 | V | A | 0.5794 | |
| 377 | E | A | -0.4342 | |
| 378 | L | A | -0.1001 | |
| 379 | G | A | 0.2078 | |
| 380 | V | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | 0.5720 | |
| 383 | E | A | 0.5322 | |
| 384 | I | A | 0.0000 | |
| 385 | V | A | 0.6112 | |
| 386 | R | A | -1.4985 | |
| 387 | D | A | -2.4023 | |
| 388 | E | A | -3.6170 | |
| 389 | D | A | -3.5946 | |
| 390 | G | A | -2.6048 | |
| 391 | R | A | -2.7423 | |
| 392 | I | A | 0.0000 | |
| 393 | H | A | -2.0464 | |
| 394 | R | A | -1.6093 | |
| 395 | G | A | -1.6432 | |
| 396 | E | A | -2.4897 | |
| 397 | I | A | 0.0000 | |
| 398 | A | A | 0.0000 | |
| 399 | Q | A | -2.0683 | |
| 400 | V | A | -1.2723 | |
| 401 | L | A | 0.0000 | |
| 402 | K | A | -1.4323 | |
| 403 | D | A | -1.4254 | |
| 404 | V | A | 0.0000 | |
| 405 | I | A | -0.9174 | |
| 406 | S | A | -0.9541 | |
| 407 | G | A | -0.9237 | |
| 408 | P | A | -0.6557 | |
| 409 | T | A | -0.2421 | |
| 410 | G | A | 0.0000 | |
| 411 | E | A | -1.1287 | |
| 412 | I | A | 0.8613 | |
| 413 | L | A | 0.0000 | |
| 414 | R | A | 0.0000 | |
| 415 | A | A | -0.8984 | |
| 416 | K | A | -1.3670 | |
| 417 | V | A | 0.0000 | |
| 418 | R | A | -2.7307 | |
| 419 | D | A | -3.4595 | |
| 420 | I | A | -2.5075 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | -4.0574 | |
| 423 | R | A | -3.9128 | |
| 424 | L | A | 0.0000 | |
| 425 | R | A | -3.7457 | |
| 426 | A | A | -3.0215 | |
| 427 | R | A | -3.6465 | |
| 428 | R | A | -3.5156 | |
| 429 | E | A | -3.7599 | |
| 430 | E | A | -3.7182 | |
| 431 | E | A | -2.6592 | |
| 432 | M | A | 0.0000 | |
| 433 | N | A | -2.8248 | |
| 434 | A | A | -1.9309 | |
| 435 | A | A | 0.0000 | |
| 436 | A | A | 0.0000 | |
| 437 | E | A | -2.3153 | |
| 438 | E | A | -1.9341 | |
| 439 | L | A | 0.0000 | |
| 440 | I | A | -1.3477 | |
| 441 | Q | A | -2.2647 | |
| 442 | L | A | -1.9178 | |
| 443 | C | A | 0.0000 | |
| 444 | R | A | -2.8580 | |
| 445 | N | A | -2.4386 | |
| 446 | R | A | -2.4882 | |
| 447 | N | A | -2.4716 | |
| 448 | A | A | -1.3160 | |
| 449 | Y | A | -0.4698 | |
| 450 | K | A | -1.6754 |
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