| Chain sequence(s) |
A: MGSSHHHHHHSSGENLYFQGAMAIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTI
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 (00:05:50)
[INFO] Main: Simulation completed successfully. (00:05:52)
|
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 | 0.7541 | |
| 2 | G | A | -0.2054 | |
| 3 | S | A | -0.6561 | |
| 4 | S | A | -1.1454 | |
| 5 | H | A | -2.0373 | |
| 6 | H | A | -2.3943 | |
| 7 | H | A | -2.6099 | |
| 8 | H | A | -2.5759 | |
| 9 | H | A | -2.3933 | |
| 10 | H | A | -2.0269 | |
| 11 | S | A | -1.5422 | |
| 12 | S | A | -1.5092 | |
| 13 | G | A | -1.8394 | |
| 14 | E | A | -2.3035 | |
| 15 | N | A | -1.3546 | |
| 16 | L | A | 0.3150 | |
| 17 | Y | A | 1.0444 | |
| 18 | F | A | 0.5419 | |
| 19 | Q | A | -0.9962 | |
| 20 | G | A | -1.0786 | |
| 21 | A | A | 0.0000 | |
| 22 | M | A | 0.6283 | |
| 23 | A | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | A | A | -0.2850 | |
| 26 | M | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | -0.3606 | |
| 29 | P | A | -1.2385 | |
| 30 | N | A | -2.1828 | |
| 31 | K | A | -2.4326 | |
| 32 | T | A | 0.0000 | |
| 33 | Q | A | -2.0485 | |
| 34 | V | A | 0.0000 | |
| 35 | V | A | -1.4183 | |
| 36 | P | A | -1.7521 | |
| 37 | K | A | -1.5911 | |
| 38 | S | A | -1.3631 | |
| 39 | G | A | -1.5248 | |
| 40 | G | A | -2.0220 | |
| 41 | E | A | -2.7637 | |
| 42 | G | A | -2.3222 | |
| 43 | K | A | -2.5526 | |
| 44 | V | A | -1.2079 | |
| 45 | K | A | 0.0000 | |
| 46 | D | A | -1.4085 | |
| 47 | I | A | 0.0000 | |
| 48 | F | A | 0.0000 | |
| 49 | A | A | -0.1124 | |
| 50 | S | A | -0.0439 | |
| 51 | P | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | L | A | 0.0000 | |
| 54 | V | A | 0.0000 | |
| 55 | R | A | -1.0122 | |
| 56 | A | A | 0.0000 | |
| 57 | G | A | -1.4496 | |
| 58 | G | A | -1.2468 | |
| 59 | V | A | 0.0000 | |
| 60 | M | A | 0.0000 | |
| 61 | I | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | F | A | 0.0000 | |
| 64 | V | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | R | A | -0.7649 | |
| 68 | T | A | -0.9874 | |
| 69 | K | A | -1.3520 | |
| 70 | N | A | -1.5633 | |
| 71 | K | A | -1.8268 | |
| 72 | L | A | -0.5962 | |
| 73 | F | A | -0.6969 | |
| 74 | P | A | -1.0030 | |
| 75 | E | A | -1.3401 | |
| 76 | V | A | 0.2520 | |
| 77 | I | A | 0.4194 | |
| 78 | D | A | -1.4211 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | S | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | D | A | -0.7138 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | A | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | K | A | -1.2403 | |
| 91 | A | A | -1.0654 | |
| 92 | P | A | 0.0000 | |
| 93 | E | A | -2.3873 | |
| 94 | T | A | -1.3603 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -1.4391 | |
| 97 | S | A | -1.1715 | |
| 98 | L | A | 0.0000 | |
| 99 | V | A | -0.2992 | |
| 100 | A | A | -0.5908 | |
| 101 | E | A | -0.9106 | |
| 102 | V | A | 0.0000 | |
| 103 | T | A | -0.9570 | |
| 104 | K | A | -1.6535 | |
| 105 | E | A | -1.7769 | |
| 106 | Y | A | -0.1698 | |
| 107 | W | A | -0.6028 | |
| 108 | Q | A | -0.8659 | |
| 109 | A | A | 0.0000 | |
| 110 | H | A | 0.0000 | |
| 111 | T | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | E | A | -1.2623 | |
| 115 | S | A | -1.1133 | |
| 116 | A | A | -1.2468 | |
| 117 | N | A | -2.4149 | |
| 118 | N | A | -2.5980 | |
| 119 | S | A | -2.2283 | |
| 120 | N | A | -2.3427 | |
| 121 | H | A | -1.8526 | |
| 122 | R | A | -2.6243 | |
| 123 | V | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | R | A | -0.6878 | |
| 128 | L | A | -0.1427 | |
| 129 | P | A | 0.0000 | |
| 130 | T | A | 0.0000 | |
| 131 | G | A | 0.0000 | |
| 132 | I | A | 0.0000 | |
| 133 | T | A | -1.1514 | |
| 134 | R | A | -1.9258 | |
| 135 | G | A | -1.7774 | |
| 136 | N | A | -2.1482 | |
| 137 | K | A | -2.7357 | |
| 138 | V | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | G | A | 0.0000 | |
| 144 | S | A | -0.6597 | |
| 145 | Y | A | 0.0000 | |
| 146 | E | A | -1.3764 | |
| 147 | E | A | -1.6789 | |
| 148 | R | A | -1.7022 | |
| 149 | R | A | -1.0816 | |
| 150 | E | A | -0.7546 | |
| 151 | I | A | 0.6732 | |
| 152 | D | A | -1.3888 | |
| 153 | D | A | -1.3149 | |
| 154 | Y | A | 0.7298 | |
| 155 | I | A | 0.4335 | |
| 156 | W | A | -0.3519 | |
| 157 | K | A | -1.4131 | |
| 158 | A | A | -1.0412 | |
| 159 | E | A | -0.9798 | |
| 160 | A | A | -0.5946 | |
| 161 | W | A | -0.7531 | |
| 162 | N | A | -1.2885 | |
| 163 | I | A | 0.0000 | |
| 164 | K | A | -0.9612 | |
| 165 | V | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | E | A | -1.6265 | |
| 168 | G | A | 0.0000 | |
| 169 | E | A | -2.5804 | |
| 170 | A | A | 0.0000 | |
| 171 | T | A | -1.7348 | |
| 172 | Q | A | -1.7617 | |
| 173 | S | A | -1.2950 | |
| 174 | T | A | -1.0257 | |
| 175 | E | A | -1.6361 | |
| 176 | V | A | 0.2883 | |
| 177 | Q | A | -1.1033 | |
| 178 | P | A | -1.2436 | |
| 179 | T | A | -0.6617 | |
| 180 | Q | A | -0.9975 | |
| 181 | P | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | N | A | -1.8825 | |
| 184 | W | A | -1.6262 | |
| 185 | S | A | -1.6158 | |
| 186 | E | A | -2.1046 | |
| 187 | P | A | -1.3587 | |
| 188 | K | A | -1.4137 | |
| 189 | P | A | -1.1275 | |
| 190 | L | A | 0.0000 | |
| 191 | F | A | -1.5329 | |
| 192 | Q | A | -2.1979 | |
| 193 | T | A | -1.6505 | |
| 194 | D | A | -2.4868 | |
| 195 | S | A | -2.2841 | |
| 196 | P | A | -2.5054 | |
| 197 | N | A | -3.6027 | |
| 198 | N | A | -3.2178 | |
| 199 | K | A | -3.3690 | |
| 200 | G | A | -3.1405 | |
| 201 | D | A | -3.8643 | |
| 202 | L | A | -2.8793 | |
| 203 | K | A | -3.0770 | |
| 204 | E | A | -1.7310 | |
| 205 | F | A | 0.0000 | |
| 206 | L | A | -0.4070 | |
| 207 | G | A | 0.0000 | |
| 208 | G | A | 0.0000 | |
| 209 | G | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.1341 | |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.4025 | |
| 214 | V | A | 0.2947 | |
| 215 | M | A | 0.0000 | |
| 216 | G | A | -1.6049 | |
| 217 | N | A | -1.7552 | |
| 218 | G | A | -1.0728 | |
| 219 | T | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | V | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -0.2334 | |
| 226 | A | A | 0.0000 | |
| 227 | K | A | -2.2681 | |
| 228 | D | A | -3.1823 | |
| 229 | E | A | -3.6086 | |
| 230 | S | A | -2.5392 | |
| 231 | N | A | -2.9913 | |
| 232 | K | A | -2.1217 | |
| 233 | V | A | -0.7978 | |
| 234 | F | A | 0.1815 | |
| 235 | S | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | -0.5834 | |
| 240 | S | A | 0.0000 | |
| 241 | T | A | -1.4517 | |
| 242 | D | A | -1.6753 | |
| 243 | D | A | -2.2325 | |
| 244 | G | A | 0.0000 | |
| 245 | Q | A | -2.4856 | |
| 246 | K | A | -3.0208 | |
| 247 | W | A | -2.0330 | |
| 248 | E | A | -2.0459 | |
| 249 | I | A | -0.9992 | |
| 250 | P | A | 0.0000 | |
| 251 | G | A | -1.7509 | |
| 252 | G | A | 0.0000 | |
| 253 | V | A | 0.5076 | |
| 254 | S | A | 0.0000 | |
| 255 | S | A | 0.0879 | |
| 256 | V | A | 0.7135 | |
| 257 | A | A | -0.6471 | |
| 258 | C | A | 0.0000 | |
| 259 | R | A | -0.7804 | |
| 260 | S | A | -0.4315 | |
| 261 | P | A | 0.0000 | |
| 262 | R | A | -0.2263 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | 0.0000 | |
| 265 | E | A | -0.9577 | |
| 266 | W | A | -1.5718 | |
| 267 | E | A | -3.1604 | |
| 268 | E | A | -3.3477 | |
| 269 | G | A | -2.4800 | |
| 270 | T | A | 0.0000 | |
| 271 | L | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | T | A | 0.0000 | |
| 276 | Y | A | 0.0000 | |
| 277 | C | A | 0.0000 | |
| 278 | E | A | -3.0371 | |
| 279 | D | A | -3.2276 | |
| 280 | G | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | K | A | -0.9377 | |
| 283 | V | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | E | A | -0.8443 | |
| 286 | S | A | 0.0000 | |
| 287 | R | A | -2.9219 | |
| 288 | D | A | -2.0057 | |
| 289 | M | A | -1.1414 | |
| 290 | G | A | 0.0000 | |
| 291 | K | A | -2.1075 | |
| 292 | T | A | -1.3121 | |
| 293 | W | A | -0.9126 | |
| 294 | T | A | -0.5451 | |
| 295 | E | A | -0.7094 | |
| 296 | A | A | 0.1364 | |
| 297 | F | A | 1.3361 | |
| 298 | G | A | 0.0981 | |
| 299 | T | A | -0.2233 | |
| 300 | L | A | 0.0000 | |
| 301 | P | A | -0.4617 | |
| 302 | G | A | -0.0398 | |
| 303 | V | A | 0.0000 | |
| 304 | W | A | 0.0198 | |
| 305 | L | A | -0.8829 | |
| 306 | K | A | -2.3282 | |
| 307 | S | A | -2.3186 | |
| 308 | G | A | -1.7768 | |
| 309 | P | A | -1.2236 | |
| 310 | E | A | -2.0763 | |
| 311 | L | A | -1.2638 | |
| 312 | P | A | -0.8541 | |
| 313 | E | A | -1.0316 | |
| 314 | V | A | 0.3333 | |
| 315 | S | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | R | A | -0.2679 | |
| 318 | V | A | 0.0000 | |
| 319 | D | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | I | A | 0.2744 | |
| 323 | T | A | -0.0610 | |
| 324 | A | A | 0.0000 | |
| 325 | T | A | -1.7711 | |
| 326 | I | A | -2.0062 | |
| 327 | E | A | -2.7908 | |
| 328 | G | A | -2.4293 | |
| 329 | R | A | -3.0711 | |
| 330 | K | A | -2.4739 | |
| 331 | V | A | 0.0000 | |
| 332 | M | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | Y | A | 0.0000 | |
| 335 | T | A | 0.0000 | |
| 336 | Q | A | 0.0000 | |
| 337 | K | A | 0.0000 | |
| 338 | V | A | 0.1262 | |
| 339 | R | A | -0.2923 | |
| 340 | H | A | -0.1475 | |
| 341 | F | A | 1.6982 | |
| 342 | L | A | 1.2714 | |
| 343 | E | A | -0.8490 | |
| 344 | V | A | 0.3334 | |
| 345 | D | A | -1.8000 | |
| 346 | E | A | -1.6953 | |
| 347 | P | A | -1.0748 | |
| 348 | N | A | -0.5112 | |
| 349 | A | A | -0.1076 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | W | A | 0.1527 | |
| 354 | V | A | 0.0000 | |
| 355 | T | A | 0.0000 | |
| 356 | D | A | -1.8293 | |
| 357 | N | A | -1.9789 | |
| 358 | N | A | -2.5809 | |
| 359 | R | A | -2.4814 | |
| 360 | T | A | -1.0515 | |
| 361 | F | A | 0.3575 | |
| 362 | H | A | -0.1146 | |
| 363 | L | A | -0.2382 | |
| 364 | G | A | -0.5706 | |
| 365 | P | A | -0.2751 | |
| 366 | F | A | 0.0000 | |
| 367 | S | A | 0.0000 | |
| 368 | V | A | 0.6301 | |
| 369 | D | A | 0.0000 | |
| 370 | C | A | -0.8032 | |
| 371 | A | A | -1.1143 | |
| 372 | E | A | -2.5495 | |
| 373 | N | A | -2.0148 | |
| 374 | K | A | -1.4928 | |
| 375 | T | A | 0.0000 | |
| 376 | F | A | -0.1272 | |
| 377 | A | A | 0.0916 | |
| 378 | N | A | 0.0000 | |
| 379 | T | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | L | A | 0.0378 | |
| 382 | Y | A | -0.4639 | |
| 383 | S | A | -1.3832 | |
| 384 | D | A | -2.8864 | |
| 385 | D | A | -2.7728 | |
| 386 | A | A | -1.5730 | |
| 387 | L | A | 0.0000 | |
| 388 | H | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | Q | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | K | A | -1.0650 | |
| 394 | G | A | 0.0000 | |
| 395 | D | A | -2.7961 | |
| 396 | H | A | -2.6813 | |
| 397 | E | A | -2.7245 | |
| 398 | S | A | -2.1354 | |
| 399 | T | A | 0.0000 | |
| 400 | A | A | -0.2503 | |
| 401 | V | A | 0.0000 | |
| 402 | S | A | 0.1099 | |
| 403 | L | A | 0.0000 | |
| 404 | A | A | 0.0000 | |
| 405 | R | A | -0.5231 | |
| 406 | L | A | 0.0000 | |
| 407 | T | A | -1.4571 | |
| 408 | E | A | -2.4564 | |
| 409 | E | A | 0.0000 | |
| 410 | L | A | -1.0875 | |
| 411 | N | A | -1.6829 | |
| 412 | T | A | -0.8180 | |
| 413 | I | A | -0.2243 |
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