| Chain sequence(s) |
A: MVSYWDTGVLLCALLSCLLLTGSSSGSDTGRPFVEMYSEIPEIIHMTEGRELVIPCRVTSPNITVTLKKFPLDTLIPDGKRIIWDSRKGFIISNATYKEIGLLTCEATVNGHLYKTNYLTHRQTNTIIDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEKDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG
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 (00:05:54)
[INFO] Main: Simulation completed successfully. (00:05:57)
|
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 | 1.9952 | |
| 2 | V | A | 2.6426 | |
| 3 | S | A | 1.4064 | |
| 4 | Y | A | 1.8088 | |
| 5 | W | A | 0.9432 | |
| 6 | D | A | -1.0833 | |
| 7 | T | A | 0.0093 | |
| 8 | G | A | 0.5452 | |
| 9 | V | A | 2.5030 | |
| 10 | L | A | 3.2478 | |
| 11 | L | A | 3.2232 | |
| 12 | C | A | 2.4587 | |
| 13 | A | A | 2.0591 | |
| 14 | L | A | 2.6458 | |
| 15 | L | A | 2.5529 | |
| 16 | S | A | 1.7856 | |
| 17 | C | A | 2.2598 | |
| 18 | L | A | 3.1793 | |
| 19 | L | A | 3.1530 | |
| 20 | L | A | 2.6172 | |
| 21 | T | A | 0.9421 | |
| 22 | G | A | -0.0987 | |
| 23 | S | A | -0.4998 | |
| 24 | S | A | -0.7063 | |
| 25 | S | A | -0.9511 | |
| 26 | G | A | -1.3028 | |
| 27 | S | A | -1.5412 | |
| 28 | D | A | -2.4395 | |
| 29 | T | A | -1.5666 | |
| 30 | G | A | -1.6333 | |
| 31 | R | A | -1.5300 | |
| 32 | P | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | V | A | -0.8249 | |
| 35 | E | A | -1.5503 | |
| 36 | M | A | -0.7877 | |
| 37 | Y | A | -0.4580 | |
| 38 | S | A | -0.8888 | |
| 39 | E | A | -1.0784 | |
| 40 | I | A | 1.0811 | |
| 41 | P | A | 0.4970 | |
| 42 | E | A | -0.2349 | |
| 43 | I | A | 0.6348 | |
| 44 | I | A | -0.1664 | |
| 45 | H | A | -1.2545 | |
| 46 | M | A | 0.0000 | |
| 47 | T | A | -2.2412 | |
| 48 | E | A | -2.3805 | |
| 49 | G | A | -2.3060 | |
| 50 | R | A | -3.6342 | |
| 51 | E | A | -3.2688 | |
| 52 | L | A | 0.0000 | |
| 53 | V | A | -0.0086 | |
| 54 | I | A | 0.0000 | |
| 55 | P | A | -1.2220 | |
| 56 | C | A | 0.0000 | |
| 57 | R | A | -2.4275 | |
| 58 | V | A | 0.0000 | |
| 59 | T | A | -1.2389 | |
| 60 | S | A | -1.0373 | |
| 61 | P | A | -1.3897 | |
| 62 | N | A | -1.3458 | |
| 63 | I | A | -0.6175 | |
| 64 | T | A | -0.3077 | |
| 65 | V | A | 0.0000 | |
| 66 | T | A | 0.0280 | |
| 67 | L | A | 0.0000 | |
| 68 | K | A | -0.3108 | |
| 69 | K | A | -0.0376 | |
| 70 | F | A | 1.6796 | |
| 71 | P | A | 1.0686 | |
| 72 | L | A | 1.0024 | |
| 73 | D | A | -0.8907 | |
| 74 | T | A | -0.1207 | |
| 75 | L | A | 0.0000 | |
| 76 | I | A | 1.2068 | |
| 77 | P | A | -0.2270 | |
| 78 | D | A | -2.0049 | |
| 79 | G | A | -1.7286 | |
| 80 | K | A | -2.6970 | |
| 81 | R | A | -1.9989 | |
| 82 | I | A | 0.0000 | |
| 83 | I | A | -0.1631 | |
| 84 | W | A | -0.1151 | |
| 85 | D | A | -1.2230 | |
| 86 | S | A | -2.0091 | |
| 87 | R | A | -2.9464 | |
| 88 | K | A | -2.4059 | |
| 89 | G | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | I | A | -0.4466 | |
| 92 | I | A | 0.0000 | |
| 93 | S | A | -2.1688 | |
| 94 | N | A | -3.1427 | |
| 95 | A | A | 0.0000 | |
| 96 | T | A | -1.1248 | |
| 97 | Y | A | 0.3182 | |
| 98 | K | A | -1.2954 | |
| 99 | E | A | 0.0000 | |
| 100 | I | A | 0.1329 | |
| 101 | G | A | 0.5002 | |
| 102 | L | A | 0.7611 | |
| 103 | L | A | 0.0000 | |
| 104 | T | A | 0.0000 | |
| 105 | C | A | 0.0000 | |
| 106 | E | A | -0.5088 | |
| 107 | A | A | 0.0000 | |
| 108 | T | A | -0.3919 | |
| 109 | V | A | -0.6918 | |
| 110 | N | A | -1.5777 | |
| 111 | G | A | -1.2363 | |
| 112 | H | A | -1.0855 | |
| 113 | L | A | -0.0296 | |
| 114 | Y | A | -0.3551 | |
| 115 | K | A | -0.9728 | |
| 116 | T | A | 0.0000 | |
| 117 | N | A | -0.4858 | |
| 118 | Y | A | 0.0000 | |
| 119 | L | A | 0.5119 | |
| 120 | T | A | 0.0000 | |
| 121 | H | A | -1.2649 | |
| 122 | R | A | -1.7220 | |
| 123 | Q | A | -2.2481 | |
| 124 | T | A | -1.3413 | |
| 125 | N | A | -0.3953 | |
| 126 | T | A | -0.3769 | |
| 127 | I | A | 0.0000 | |
| 128 | I | A | -0.0618 | |
| 129 | D | A | -0.5982 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | 0.3020 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | -0.1460 | |
| 134 | P | A | -0.3938 | |
| 135 | S | A | -0.5556 | |
| 136 | H | A | -1.2146 | |
| 137 | G | A | -1.2746 | |
| 138 | I | A | 0.0000 | |
| 139 | E | A | -2.2726 | |
| 140 | L | A | -2.3091 | |
| 141 | S | A | -2.5917 | |
| 142 | V | A | -2.1886 | |
| 143 | G | A | -2.2846 | |
| 144 | E | A | -2.7321 | |
| 145 | K | A | -2.8802 | |
| 146 | L | A | 0.0000 | |
| 147 | V | A | -0.3215 | |
| 148 | L | A | 0.0000 | |
| 149 | N | A | 0.0816 | |
| 150 | C | A | 0.0000 | |
| 151 | T | A | -0.5544 | |
| 152 | A | A | 0.0000 | |
| 153 | R | A | -0.8883 | |
| 154 | T | A | 0.0000 | |
| 155 | E | A | -1.5025 | |
| 156 | L | A | -1.4588 | |
| 157 | N | A | -1.7762 | |
| 158 | V | A | 0.0000 | |
| 159 | G | A | -1.4013 | |
| 160 | I | A | -1.6553 | |
| 161 | D | A | -2.2567 | |
| 162 | F | A | -1.4596 | |
| 163 | N | A | -2.1197 | |
| 164 | W | A | -1.3978 | |
| 165 | E | A | -1.7963 | |
| 166 | Y | A | -0.4710 | |
| 167 | P | A | -0.6752 | |
| 168 | S | A | 0.0000 | |
| 169 | S | A | -1.6473 | |
| 170 | K | A | -2.4022 | |
| 171 | H | A | -2.5236 | |
| 172 | Q | A | -2.8597 | |
| 173 | H | A | -3.1505 | |
| 174 | K | A | -2.9137 | |
| 175 | K | A | -1.9277 | |
| 176 | L | A | 0.3575 | |
| 177 | V | A | 0.2472 | |
| 178 | N | A | -1.8237 | |
| 179 | R | A | -3.2229 | |
| 180 | D | A | -3.7109 | |
| 181 | L | A | -2.5336 | |
| 182 | K | A | -2.7449 | |
| 183 | T | A | -2.1994 | |
| 184 | Q | A | -2.1938 | |
| 185 | S | A | -1.4990 | |
| 186 | G | A | -1.3456 | |
| 187 | S | A | -1.7001 | |
| 188 | E | A | -2.1651 | |
| 189 | M | A | -1.6021 | |
| 190 | K | A | -2.2172 | |
| 191 | K | A | -2.1527 | |
| 192 | F | A | 0.0000 | |
| 193 | L | A | -1.1193 | |
| 194 | S | A | 0.0000 | |
| 195 | T | A | -0.1489 | |
| 196 | L | A | 0.0000 | |
| 197 | T | A | -1.2897 | |
| 198 | I | A | 0.0000 | |
| 199 | D | A | -3.7683 | |
| 200 | G | A | -2.4405 | |
| 201 | V | A | 0.0000 | |
| 202 | T | A | -1.8121 | |
| 203 | R | A | -2.1204 | |
| 204 | S | A | -1.1387 | |
| 205 | D | A | 0.0000 | |
| 206 | Q | A | -1.0644 | |
| 207 | G | A | 0.4817 | |
| 208 | L | A | 1.6211 | |
| 209 | Y | A | 0.0000 | |
| 210 | T | A | -0.7546 | |
| 211 | C | A | 0.0000 | |
| 212 | A | A | 0.0000 | |
| 213 | A | A | 0.0000 | |
| 214 | S | A | -1.0658 | |
| 215 | S | A | -0.3274 | |
| 216 | G | A | -0.0114 | |
| 217 | L | A | 1.4168 | |
| 218 | M | A | 0.6814 | |
| 219 | T | A | -0.7450 | |
| 220 | K | A | -1.6683 | |
| 221 | K | A | -2.4331 | |
| 222 | N | A | -1.3232 | |
| 223 | S | A | -0.2091 | |
| 224 | T | A | 0.0000 | |
| 225 | F | A | 1.3201 | |
| 226 | V | A | 0.0000 | |
| 227 | R | A | -1.8192 | |
| 228 | V | A | 0.0000 | |
| 229 | H | A | -2.9477 | |
| 230 | E | A | -3.7923 | |
| 231 | K | A | -4.0947 | |
| 232 | D | A | -4.2715 | |
| 233 | K | A | -3.5147 | |
| 234 | T | A | -2.0449 | |
| 235 | H | A | -1.8874 | |
| 236 | T | A | -0.7666 | |
| 237 | C | A | 0.3323 | |
| 238 | P | A | -0.0024 | |
| 239 | P | A | 0.1073 | |
| 240 | C | A | 0.5305 | |
| 241 | P | A | -0.2661 | |
| 242 | A | A | -0.2778 | |
| 243 | P | A | -0.6242 | |
| 244 | E | A | -0.9322 | |
| 245 | L | A | 1.0943 | |
| 246 | L | A | 1.1124 | |
| 247 | G | A | 0.1484 | |
| 248 | G | A | -0.2708 | |
| 249 | P | A | 0.0000 | |
| 250 | S | A | 0.0152 | |
| 251 | V | A | 0.0000 | |
| 252 | F | A | 1.0909 | |
| 253 | L | A | 0.7901 | |
| 254 | F | A | 0.9833 | |
| 255 | P | A | -0.2959 | |
| 256 | P | A | 0.0000 | |
| 257 | K | A | -2.1644 | |
| 258 | P | A | -1.5043 | |
| 259 | K | A | -1.2029 | |
| 260 | D | A | -1.1790 | |
| 261 | T | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | M | A | 0.3926 | |
| 264 | I | A | 1.4249 | |
| 265 | S | A | 0.2662 | |
| 266 | R | A | -0.7475 | |
| 267 | T | A | -0.5368 | |
| 268 | P | A | 0.0000 | |
| 269 | E | A | -1.1485 | |
| 270 | V | A | 0.0000 | |
| 271 | T | A | 0.1139 | |
| 272 | C | A | 0.0000 | |
| 273 | V | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | V | A | -0.8309 | |
| 276 | D | A | -1.4913 | |
| 277 | V | A | 0.0000 | |
| 278 | S | A | -2.0468 | |
| 279 | H | A | -2.6105 | |
| 280 | E | A | -2.9677 | |
| 281 | D | A | -2.5995 | |
| 282 | P | A | -2.5154 | |
| 283 | E | A | -3.1010 | |
| 284 | V | A | -2.0043 | |
| 285 | K | A | -2.2348 | |
| 286 | F | A | -1.1736 | |
| 287 | N | A | -1.1472 | |
| 288 | W | A | 0.0000 | |
| 289 | Y | A | -0.6812 | |
| 290 | V | A | -0.9129 | |
| 291 | D | A | -2.1652 | |
| 292 | G | A | -0.9258 | |
| 293 | V | A | 0.6622 | |
| 294 | E | A | -0.7314 | |
| 295 | V | A | -0.5670 | |
| 296 | H | A | -1.8939 | |
| 297 | N | A | -2.1736 | |
| 298 | A | A | -1.8558 | |
| 299 | K | A | -2.3425 | |
| 300 | T | A | -1.7378 | |
| 301 | K | A | -1.8808 | |
| 302 | P | A | -2.0248 | |
| 303 | R | A | -3.0958 | |
| 304 | E | A | -3.3475 | |
| 305 | E | A | -3.1543 | |
| 306 | Q | A | -1.5093 | |
| 307 | Y | A | 0.2412 | |
| 308 | N | A | -0.7218 | |
| 309 | S | A | -0.9703 | |
| 310 | T | A | -1.8200 | |
| 311 | Y | A | 0.0000 | |
| 312 | R | A | -2.2249 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | S | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | T | A | -0.6566 | |
| 319 | V | A | 0.0000 | |
| 320 | L | A | 0.8412 | |
| 321 | H | A | -0.0569 | |
| 322 | Q | A | -1.1031 | |
| 323 | D | A | -1.1519 | |
| 324 | W | A | 0.0000 | |
| 325 | L | A | -0.9723 | |
| 326 | N | A | -2.0807 | |
| 327 | G | A | -2.1421 | |
| 328 | K | A | -2.1822 | |
| 329 | E | A | -2.4148 | |
| 330 | Y | A | 0.0000 | |
| 331 | K | A | -1.6475 | |
| 332 | C | A | 0.0000 | |
| 333 | K | A | -1.4791 | |
| 334 | V | A | 0.0000 | |
| 335 | S | A | -1.4481 | |
| 336 | N | A | 0.0000 | |
| 337 | K | A | -2.5648 | |
| 338 | A | A | -1.4695 | |
| 339 | L | A | -0.6016 | |
| 340 | P | A | -0.4566 | |
| 341 | A | A | -0.6284 | |
| 342 | P | A | -0.8841 | |
| 343 | I | A | -0.7980 | |
| 344 | E | A | -1.8590 | |
| 345 | K | A | -1.2157 | |
| 346 | T | A | -1.0413 | |
| 347 | I | A | -0.2828 | |
| 348 | S | A | -1.2074 | |
| 349 | K | A | -1.3407 | |
| 350 | A | A | -1.2076 | |
| 351 | K | A | -2.3576 | |
| 352 | G | A | -1.9804 | |
| 353 | Q | A | -2.1331 | |
| 354 | P | A | -1.7633 | |
| 355 | R | A | -2.2146 | |
| 356 | E | A | -2.7888 | |
| 357 | P | A | 0.0000 | |
| 358 | Q | A | -1.3459 | |
| 359 | V | A | -0.3004 | |
| 360 | Y | A | 0.6921 | |
| 361 | T | A | 0.3938 | |
| 362 | L | A | 0.5104 | |
| 363 | P | A | -0.1868 | |
| 364 | P | A | -0.9418 | |
| 365 | S | A | -1.7287 | |
| 366 | R | A | -2.8818 | |
| 367 | D | A | -3.1017 | |
| 368 | E | A | -2.6010 | |
| 369 | L | A | -2.2697 | |
| 370 | T | A | -2.0738 | |
| 371 | K | A | -2.9609 | |
| 372 | N | A | -2.8172 | |
| 373 | Q | A | -2.4897 | |
| 374 | V | A | 0.0000 | |
| 375 | S | A | -0.7426 | |
| 376 | L | A | 0.0000 | |
| 377 | T | A | -0.2102 | |
| 378 | C | A | 0.0000 | |
| 379 | L | A | 0.4880 | |
| 380 | V | A | 0.0000 | |
| 381 | K | A | -0.7203 | |
| 382 | G | A | -1.3995 | |
| 383 | F | A | 0.0000 | |
| 384 | Y | A | -1.0785 | |
| 385 | P | A | 0.0000 | |
| 386 | S | A | -0.0866 | |
| 387 | D | A | -1.3318 | |
| 388 | I | A | 0.0000 | |
| 389 | A | A | -0.6972 | |
| 390 | V | A | 0.0000 | |
| 391 | E | A | -1.2659 | |
| 392 | W | A | 0.0000 | |
| 393 | E | A | -1.7550 | |
| 394 | S | A | 0.0000 | |
| 395 | N | A | -1.8912 | |
| 396 | G | A | -1.7728 | |
| 397 | Q | A | -2.2515 | |
| 398 | P | A | -1.9413 | |
| 399 | E | A | 0.0000 | |
| 400 | N | A | -2.4350 | |
| 401 | N | A | -2.3620 | |
| 402 | Y | A | -2.1810 | |
| 403 | K | A | -2.5042 | |
| 404 | T | A | -1.1093 | |
| 405 | T | A | -0.3315 | |
| 406 | P | A | 0.0462 | |
| 407 | P | A | 0.6364 | |
| 408 | V | A | 1.6033 | |
| 409 | L | A | 1.2941 | |
| 410 | D | A | -0.6015 | |
| 411 | S | A | -1.1090 | |
| 412 | D | A | -2.0405 | |
| 413 | G | A | -0.8728 | |
| 414 | S | A | 0.0000 | |
| 415 | F | A | 0.3325 | |
| 416 | F | A | 0.7166 | |
| 417 | L | A | 0.0000 | |
| 418 | Y | A | 0.3817 | |
| 419 | S | A | 0.0000 | |
| 420 | K | A | -1.8263 | |
| 421 | L | A | 0.0000 | |
| 422 | T | A | -1.5063 | |
| 423 | V | A | 0.0000 | |
| 424 | D | A | -2.4637 | |
| 425 | K | A | -2.6716 | |
| 426 | S | A | -2.1620 | |
| 427 | R | A | -2.0111 | |
| 428 | W | A | 0.0000 | |
| 429 | Q | A | -2.2940 | |
| 430 | Q | A | -2.1303 | |
| 431 | G | A | -1.2327 | |
| 432 | N | A | -0.9243 | |
| 433 | V | A | -0.0652 | |
| 434 | F | A | 0.0000 | |
| 435 | S | A | 0.0000 | |
| 436 | C | A | 0.0000 | |
| 437 | S | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | M | A | 0.0000 | |
| 440 | H | A | 0.0000 | |
| 441 | E | A | -1.1033 | |
| 442 | A | A | -1.4868 | |
| 443 | L | A | -1.4249 | |
| 444 | H | A | -1.7212 | |
| 445 | N | A | -1.4285 | |
| 446 | H | A | -0.9280 | |
| 447 | Y | A | -0.2722 | |
| 448 | T | A | -0.5753 | |
| 449 | Q | A | -0.7635 | |
| 450 | K | A | -0.8443 | |
| 451 | S | A | -0.4044 | |
| 452 | L | A | 0.0000 | |
| 453 | S | A | -0.1612 | |
| 454 | L | A | -0.3176 | |
| 455 | S | A | -0.3221 | |
| 456 | P | A | -0.4969 | |
| 457 | G | A | -0.5700 |
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