| Chain sequence(s) |
A: LVRPDGVGRTPALGWNSWNAYSCDIDADKIVTAANEVVNLGLKDLGYEYINIDDCWSVKSGRNTTTKRIIPDPDKFPNGISGVADQVHALGLKLGIYSSAGLTTCAGYPASLGYEEIDAQSFAEWGVDYLKYDNCGVPTNLTDQYTYCVPDTTDGSNFPNGTCVDLTDAAPPGYDWATSTTAKRYQRMRDALLSVNRTILYSLCDWGQADVNAWGNETGNSWRMSGDITATWSRIAEIANENSFYMNYANFWGYPDPDMLEVGNGNLTLAENRAHFALWAMMKAPLIIGTPLDSIDTSHLTILLNKPLLTFHQDAVIGRPAYPYKWGYNPDWTFDAEHPAEYWSGPTSSGEVFVLMLNSEDGVKTRTAVWGEVPELKGKNKNSKGKKGKKDSGFKVSDAWTGKDLGCVKDKYEVKLQAHDVAVLVVGEEC
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:03)
[INFO] Main: Simulation completed successfully. (00:04:06)
|
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 | L | A | 0.3443 | |
| 2 | V | A | 1.3204 | |
| 3 | R | A | 0.0000 | |
| 4 | P | A | -0.9213 | |
| 5 | D | A | -1.8420 | |
| 6 | G | A | -0.9152 | |
| 7 | V | A | -0.4157 | |
| 8 | G | A | 0.0000 | |
| 9 | R | A | -0.3919 | |
| 10 | T | A | -0.1596 | |
| 11 | P | A | 0.0000 | |
| 12 | A | A | 0.0000 | |
| 13 | L | A | 0.0000 | |
| 14 | G | A | 0.0000 | |
| 15 | W | A | 0.0000 | |
| 16 | N | A | 0.0000 | |
| 17 | S | A | 0.0000 | |
| 18 | W | A | -0.0170 | |
| 19 | N | A | -0.3387 | |
| 20 | A | A | -0.3133 | |
| 21 | Y | A | -0.4590 | |
| 22 | S | A | -0.2638 | |
| 23 | C | A | -0.2627 | |
| 24 | D | A | -1.5873 | |
| 25 | I | A | 0.0000 | |
| 26 | D | A | -1.8730 | |
| 27 | A | A | -1.7537 | |
| 28 | D | A | -2.0701 | |
| 29 | K | A | -1.8136 | |
| 30 | I | A | 0.0000 | |
| 31 | V | A | -0.8056 | |
| 32 | T | A | -1.1779 | |
| 33 | A | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | N | A | -0.9968 | |
| 36 | E | A | -1.2236 | |
| 37 | V | A | 0.0000 | |
| 38 | V | A | -0.7492 | |
| 39 | N | A | -1.5748 | |
| 40 | L | A | -0.8012 | |
| 41 | G | A | -0.9363 | |
| 42 | L | A | 0.0000 | |
| 43 | K | A | -1.7695 | |
| 44 | D | A | -2.1450 | |
| 45 | L | A | -1.4202 | |
| 46 | G | A | -1.1865 | |
| 47 | Y | A | 0.0000 | |
| 48 | E | A | -1.1129 | |
| 49 | Y | A | 0.0000 | |
| 50 | I | A | 0.0000 | |
| 51 | N | A | 0.0000 | |
| 52 | I | A | 0.0000 | |
| 53 | D | A | 0.0000 | |
| 54 | D | A | 0.0000 | |
| 55 | C | A | 0.0000 | |
| 56 | W | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | V | A | -0.8847 | |
| 59 | K | A | -1.6637 | |
| 60 | S | A | -1.0062 | |
| 61 | G | A | -0.9927 | |
| 62 | R | A | -1.2093 | |
| 63 | N | A | -1.1655 | |
| 64 | T | A | -0.8840 | |
| 65 | T | A | -0.7438 | |
| 66 | T | A | -0.8723 | |
| 67 | K | A | -1.4721 | |
| 68 | R | A | -1.3186 | |
| 69 | I | A | 0.0000 | |
| 70 | I | A | -0.2147 | |
| 71 | P | A | -0.6755 | |
| 72 | D | A | -1.2981 | |
| 73 | P | A | -1.6117 | |
| 74 | D | A | -2.4075 | |
| 75 | K | A | -2.2395 | |
| 76 | F | A | 0.0000 | |
| 77 | P | A | -1.7327 | |
| 78 | N | A | -1.8145 | |
| 79 | G | A | -1.0920 | |
| 80 | I | A | 0.0000 | |
| 81 | S | A | -1.2654 | |
| 82 | G | A | -1.3850 | |
| 83 | V | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | D | A | -2.2812 | |
| 86 | Q | A | -1.6072 | |
| 87 | V | A | 0.0000 | |
| 88 | H | A | -1.4477 | |
| 89 | A | A | -0.8653 | |
| 90 | L | A | -0.4781 | |
| 91 | G | A | -0.8824 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -1.1013 | |
| 94 | L | A | 0.0000 | |
| 95 | G | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | Y | A | 0.0000 | |
| 98 | S | A | 0.0000 | |
| 99 | S | A | 0.0000 | |
| 100 | A | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | L | A | 1.5577 | |
| 103 | T | A | 0.5748 | |
| 104 | T | A | 0.0000 | |
| 105 | C | A | 0.5080 | |
| 106 | A | A | 0.0321 | |
| 107 | G | A | -0.1683 | |
| 108 | Y | A | -0.3517 | |
| 109 | P | A | -0.0893 | |
| 110 | A | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | G | A | -0.3717 | |
| 114 | Y | A | -0.4669 | |
| 115 | E | A | 0.0000 | |
| 116 | E | A | -1.9446 | |
| 117 | I | A | -0.7739 | |
| 118 | D | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | Q | A | -1.8504 | |
| 121 | S | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | E | A | -2.2502 | |
| 125 | W | A | -1.2037 | |
| 126 | G | A | -1.2289 | |
| 127 | V | A | 0.0000 | |
| 128 | D | A | -0.5431 | |
| 129 | Y | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | 0.0000 | |
| 132 | Y | A | 0.0000 | |
| 133 | D | A | 0.0000 | |
| 134 | N | A | 0.2003 | |
| 135 | C | A | 0.4321 | |
| 136 | G | A | 0.5955 | |
| 137 | V | A | 0.6049 | |
| 138 | P | A | 0.1465 | |
| 139 | T | A | -0.5247 | |
| 140 | N | A | -1.2215 | |
| 141 | L | A | -0.4940 | |
| 142 | T | A | -0.5277 | |
| 143 | D | A | -1.0412 | |
| 144 | Q | A | -1.4555 | |
| 145 | Y | A | -0.5345 | |
| 146 | T | A | -0.2886 | |
| 147 | Y | A | 0.1165 | |
| 148 | C | A | 0.1877 | |
| 149 | V | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | D | A | 0.0000 | |
| 152 | T | A | -1.1057 | |
| 153 | T | A | -1.3580 | |
| 154 | D | A | -2.3433 | |
| 155 | G | A | -1.6641 | |
| 156 | S | A | -1.4261 | |
| 157 | N | A | -1.6214 | |
| 158 | F | A | -0.6319 | |
| 159 | P | A | -0.7046 | |
| 160 | N | A | -1.2005 | |
| 161 | G | A | -0.6287 | |
| 162 | T | A | -0.2745 | |
| 163 | C | A | 0.0175 | |
| 164 | V | A | 0.5978 | |
| 165 | D | A | -1.0907 | |
| 166 | L | A | -0.2055 | |
| 167 | T | A | -0.4334 | |
| 168 | D | A | -1.0881 | |
| 169 | A | A | -0.2867 | |
| 170 | A | A | -0.5664 | |
| 171 | P | A | -0.5991 | |
| 172 | P | A | -0.7187 | |
| 173 | G | A | -1.0063 | |
| 174 | Y | A | -0.9705 | |
| 175 | D | A | -1.9054 | |
| 176 | W | A | 0.0000 | |
| 177 | A | A | -1.1294 | |
| 178 | T | A | -0.9644 | |
| 179 | S | A | 0.0000 | |
| 180 | T | A | -0.8906 | |
| 181 | T | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | K | A | -1.9232 | |
| 184 | R | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | Q | A | -2.1612 | |
| 187 | R | A | -2.6151 | |
| 188 | M | A | 0.0000 | |
| 189 | R | A | -1.6494 | |
| 190 | D | A | -1.8631 | |
| 191 | A | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | L | A | 0.1303 | |
| 194 | S | A | -0.6700 | |
| 195 | V | A | -1.2513 | |
| 196 | N | A | -1.7341 | |
| 197 | R | A | -1.6486 | |
| 198 | T | A | -0.8131 | |
| 199 | I | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | Y | A | 0.0000 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | C | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | W | A | -0.3266 | |
| 207 | G | A | 0.0000 | |
| 208 | Q | A | -0.2836 | |
| 209 | A | A | 0.0000 | |
| 210 | D | A | -0.5084 | |
| 211 | V | A | 0.0000 | |
| 212 | N | A | 0.0000 | |
| 213 | A | A | -0.5778 | |
| 214 | W | A | 0.0000 | |
| 215 | G | A | 0.0000 | |
| 216 | N | A | -1.2518 | |
| 217 | E | A | -1.8526 | |
| 218 | T | A | 0.0000 | |
| 219 | G | A | 0.0000 | |
| 220 | N | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | W | A | 0.0000 | |
| 223 | R | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | D | A | -1.4017 | |
| 228 | I | A | 0.0000 | |
| 229 | T | A | -0.5347 | |
| 230 | A | A | -0.5856 | |
| 231 | T | A | -0.4155 | |
| 232 | W | A | -0.4937 | |
| 233 | S | A | -0.6362 | |
| 234 | R | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | E | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | A | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | E | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | S | A | 0.0000 | |
| 244 | F | A | 0.5715 | |
| 245 | Y | A | 0.1259 | |
| 246 | M | A | 0.0000 | |
| 247 | N | A | -1.0684 | |
| 248 | Y | A | -0.3743 | |
| 249 | A | A | 0.0000 | |
| 250 | N | A | -1.0785 | |
| 251 | F | A | 0.2013 | |
| 252 | W | A | 0.0570 | |
| 253 | G | A | 0.0000 | |
| 254 | Y | A | 0.0000 | |
| 255 | P | A | 0.0000 | |
| 256 | D | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | D | A | 0.0000 | |
| 259 | M | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | E | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | G | A | -0.8045 | |
| 264 | N | A | -0.8110 | |
| 265 | G | A | -1.2108 | |
| 266 | N | A | -1.4172 | |
| 267 | L | A | -0.5825 | |
| 268 | T | A | -0.1061 | |
| 269 | L | A | 0.4273 | |
| 270 | A | A | 0.0000 | |
| 271 | E | A | -0.3167 | |
| 272 | N | A | 0.0000 | |
| 273 | R | A | -0.2074 | |
| 274 | A | A | 0.0000 | |
| 275 | H | A | 0.0000 | |
| 276 | F | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | W | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | M | A | 0.0000 | |
| 282 | M | A | 0.0000 | |
| 283 | K | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | P | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | I | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | G | A | 0.0000 | |
| 290 | T | A | 0.0000 | |
| 291 | P | A | -0.9404 | |
| 292 | L | A | 0.0000 | |
| 293 | D | A | -2.3483 | |
| 294 | S | A | -1.4659 | |
| 295 | I | A | -1.3122 | |
| 296 | D | A | -2.0639 | |
| 297 | T | A | -0.9457 | |
| 298 | S | A | -0.6020 | |
| 299 | H | A | -0.5992 | |
| 300 | L | A | -0.2972 | |
| 301 | T | A | -0.3731 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | -0.3203 | |
| 305 | N | A | 0.0000 | |
| 306 | K | A | -1.6182 | |
| 307 | P | A | -0.9244 | |
| 308 | L | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | T | A | -0.6612 | |
| 311 | F | A | 0.0000 | |
| 312 | H | A | 0.0000 | |
| 313 | Q | A | -0.0911 | |
| 314 | D | A | 0.0000 | |
| 315 | A | A | 0.8870 | |
| 316 | V | A | 1.9156 | |
| 317 | I | A | 1.0364 | |
| 318 | G | A | 0.1238 | |
| 319 | R | A | -0.5111 | |
| 320 | P | A | 0.0000 | |
| 321 | A | A | 0.0000 | |
| 322 | Y | A | 0.2473 | |
| 323 | P | A | -0.0228 | |
| 324 | Y | A | -0.6016 | |
| 325 | K | A | -1.2741 | |
| 326 | W | A | 0.0000 | |
| 327 | G | A | -0.3786 | |
| 328 | Y | A | 0.4640 | |
| 329 | N | A | -0.2444 | |
| 330 | P | A | -0.8476 | |
| 331 | D | A | -1.4862 | |
| 332 | W | A | 0.0667 | |
| 333 | T | A | -0.2132 | |
| 334 | F | A | -0.5957 | |
| 335 | D | A | -0.9400 | |
| 336 | A | A | -1.2173 | |
| 337 | E | A | -1.9748 | |
| 338 | H | A | 0.0000 | |
| 339 | P | A | 0.0000 | |
| 340 | A | A | 0.0000 | |
| 341 | E | A | 0.0000 | |
| 342 | Y | A | 0.0000 | |
| 343 | W | A | 0.0000 | |
| 344 | S | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | P | A | -0.3952 | |
| 347 | T | A | 0.0000 | |
| 348 | S | A | 0.1115 | |
| 349 | S | A | -0.4724 | |
| 350 | G | A | -1.3181 | |
| 351 | E | A | -1.5122 | |
| 352 | V | A | 0.0000 | |
| 353 | F | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | N | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | E | A | -1.3057 | |
| 361 | D | A | -1.9824 | |
| 362 | G | A | -0.8722 | |
| 363 | V | A | -0.2708 | |
| 364 | K | A | -1.1783 | |
| 365 | T | A | -1.3665 | |
| 366 | R | A | 0.0000 | |
| 367 | T | A | -1.0409 | |
| 368 | A | A | 0.0000 | |
| 369 | V | A | -1.3981 | |
| 370 | W | A | 0.0000 | |
| 371 | G | A | -2.3489 | |
| 372 | E | A | -2.3307 | |
| 373 | V | A | 0.0000 | |
| 374 | P | A | -1.2750 | |
| 375 | E | A | -1.4299 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -3.1338 | |
| 378 | G | A | -3.2926 | |
| 379 | K | A | -3.6146 | |
| 380 | N | A | -4.7885 | |
| 381 | K | A | -5.1587 | |
| 382 | N | A | -3.8586 | |
| 383 | S | A | -2.5716 | |
| 384 | K | A | -3.3250 | |
| 385 | G | A | -3.5551 | |
| 386 | K | A | -4.5612 | |
| 387 | K | A | -4.9899 | |
| 388 | G | A | -4.7076 | |
| 389 | K | A | -3.9133 | |
| 390 | K | A | -3.8050 | |
| 391 | D | A | -3.1154 | |
| 392 | S | A | -3.1558 | |
| 393 | G | A | 0.0000 | |
| 394 | F | A | 0.0000 | |
| 395 | K | A | -2.3142 | |
| 396 | V | A | 0.0000 | |
| 397 | S | A | -1.5986 | |
| 398 | D | A | -1.2584 | |
| 399 | A | A | 0.0000 | |
| 400 | W | A | -0.5912 | |
| 401 | T | A | -1.0912 | |
| 402 | G | A | -1.9278 | |
| 403 | K | A | -2.8230 | |
| 404 | D | A | -2.8308 | |
| 405 | L | A | -1.2670 | |
| 406 | G | A | -1.0324 | |
| 407 | C | A | -0.9445 | |
| 408 | V | A | -1.4594 | |
| 409 | K | A | -3.0299 | |
| 410 | D | A | -3.2293 | |
| 411 | K | A | -2.5316 | |
| 412 | Y | A | -1.4980 | |
| 413 | E | A | -2.0967 | |
| 414 | V | A | -1.6259 | |
| 415 | K | A | -2.1184 | |
| 416 | L | A | 0.0000 | |
| 417 | Q | A | -1.5209 | |
| 418 | A | A | -1.3331 | |
| 419 | H | A | -0.8215 | |
| 420 | D | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | V | A | -0.4796 | |
| 426 | V | A | 0.0000 | |
| 427 | G | A | -2.0062 | |
| 428 | E | A | -3.3222 | |
| 429 | E | A | -3.2232 | |
| 430 | C | A | -1.7202 |
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