| Chain sequence(s) |
A: DIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKAGGGGSGGGGSGGGGSQVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSAAGGGGSDVQLVQSGAEVKKPGASVKVSCKASGYTFTRYTMHWVRQAPGQGLEWIGYINPSRGYTNYADSVKGRFTITTDKSTSTAYMELSSLRSEDTATYYCARYYDDHYCLDYWGQGTTVTVSSAAGGGGSGGGGSGGGGSDIVLTQSPATLSLSPGERATLSCRASQSVSYMNWYQQKPGKAPKRWIYDTSKVASGVPARFSGSGSGTDYSLTINSLEAEDAATYYCQQWSSNPLTFGGGTKVEIKA
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | VK3A,VK390A,LR239A,TK215A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.18772 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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] FoldX: Building mutant model (00:01:34)
[INFO] FoldX: Starting FoldX energy minimalization (00:02:47)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:19)
[INFO] Main: Simulation completed successfully. (00:04:22)
|
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 | D | A | -2.3859 | |
| 2 | I | A | -2.1584 | |
| 3 | K | A | -2.7061 | mutated: VK3A |
| 4 | M | A | 0.0000 | |
| 5 | T | A | -1.5032 | |
| 6 | Q | A | -0.9046 | |
| 7 | S | A | -0.7601 | |
| 8 | P | A | -0.3998 | |
| 9 | A | A | -0.3793 | |
| 10 | T | A | -0.4937 | |
| 11 | L | A | -0.3241 | |
| 12 | S | A | -0.7742 | |
| 13 | L | A | -1.0672 | |
| 14 | S | A | -1.5708 | |
| 15 | P | A | -1.7790 | |
| 16 | G | A | -1.8295 | |
| 17 | E | A | -2.5294 | |
| 18 | R | A | -2.7777 | |
| 19 | A | A | 0.0000 | |
| 20 | T | A | -0.6458 | |
| 21 | L | A | 0.0000 | |
| 22 | S | A | -0.8947 | |
| 23 | C | A | 0.0000 | |
| 24 | R | A | -2.8758 | |
| 25 | A | A | 0.0000 | |
| 26 | S | A | -2.1413 | |
| 27 | Q | A | -2.2780 | |
| 28 | S | A | -1.2550 | |
| 29 | V | A | 0.0000 | |
| 30 | S | A | -0.5550 | |
| 31 | S | A | -0.3194 | |
| 32 | Y | A | 0.5027 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | W | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | Q | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | K | A | -1.2089 | |
| 40 | P | A | -0.8987 | |
| 41 | G | A | -1.1865 | |
| 42 | Q | A | -1.4960 | |
| 43 | A | A | -1.0476 | |
| 44 | P | A | 0.0000 | |
| 45 | R | A | -2.1113 | |
| 46 | L | A | 0.0000 | |
| 47 | L | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | Y | A | -0.8212 | |
| 50 | D | A | -0.9150 | |
| 51 | A | A | 0.0000 | |
| 52 | S | A | -1.3787 | |
| 53 | N | A | -2.1707 | |
| 54 | R | A | -2.1513 | |
| 55 | A | A | -1.4951 | |
| 56 | T | A | -0.8248 | |
| 57 | G | A | -0.8519 | |
| 58 | I | A | -0.7273 | |
| 59 | P | A | -0.4863 | |
| 60 | A | A | -0.4570 | |
| 61 | R | A | -0.7393 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -0.7625 | |
| 64 | G | A | 0.0000 | |
| 65 | S | A | -0.8821 | |
| 66 | G | A | -1.2153 | |
| 67 | S | A | -1.0169 | |
| 68 | G | A | -1.0762 | |
| 69 | T | A | -1.7428 | |
| 70 | D | A | -2.1161 | |
| 71 | F | A | 0.0000 | |
| 72 | T | A | -0.7681 | |
| 73 | L | A | 0.0000 | |
| 74 | T | A | -0.5888 | |
| 75 | I | A | 0.0000 | |
| 76 | S | A | -1.5310 | |
| 77 | S | A | -1.7496 | |
| 78 | L | A | 0.0000 | |
| 79 | E | A | -2.0626 | |
| 80 | P | A | -1.5737 | |
| 81 | E | A | -2.2183 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | -0.5020 | |
| 84 | A | A | 0.0000 | |
| 85 | V | A | -0.2635 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | Q | A | 0.0000 | |
| 91 | Y | A | 0.0000 | |
| 92 | G | A | -0.2329 | |
| 93 | S | A | -0.4781 | |
| 94 | T | A | -0.5838 | |
| 95 | P | A | -0.8052 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.8892 | |
| 98 | F | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | -1.2354 | |
| 101 | G | A | -0.7636 | |
| 102 | T | A | 0.0000 | |
| 103 | K | A | -0.9649 | |
| 104 | A | A | 0.0000 | |
| 105 | E | A | -0.6919 | |
| 106 | I | A | -0.2594 | |
| 107 | K | A | -1.5648 | |
| 108 | A | A | -0.9327 | |
| 109 | G | A | -1.1357 | |
| 110 | G | A | -1.2264 | |
| 111 | G | A | -1.0890 | |
| 112 | G | A | -1.1171 | |
| 113 | S | A | -0.9299 | |
| 114 | G | A | -1.1297 | |
| 115 | G | A | -1.4511 | |
| 116 | G | A | -1.5165 | |
| 117 | G | A | -1.0166 | |
| 118 | S | A | -1.1154 | |
| 119 | G | A | -1.1965 | |
| 120 | G | A | -1.2627 | |
| 121 | G | A | -1.3458 | |
| 122 | G | A | -1.3035 | |
| 123 | S | A | -1.3736 | |
| 124 | Q | A | -1.8671 | |
| 125 | V | A | -1.4244 | |
| 126 | Q | A | -1.7249 | |
| 127 | L | A | 0.0000 | |
| 128 | Q | A | -0.9207 | |
| 129 | E | A | 0.0000 | |
| 130 | S | A | -0.7802 | |
| 131 | G | A | -0.8036 | |
| 132 | P | A | -0.4502 | |
| 133 | G | A | -0.4898 | |
| 134 | L | A | -0.0416 | |
| 135 | V | A | 0.0000 | |
| 136 | K | A | -1.0058 | |
| 137 | P | A | -0.9394 | |
| 138 | S | A | -1.1699 | |
| 139 | Q | A | -1.5512 | |
| 140 | T | A | -1.4762 | |
| 141 | L | A | 0.0000 | |
| 142 | S | A | -0.8986 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.5274 | |
| 145 | C | A | 0.0000 | |
| 146 | T | A | -0.9814 | |
| 147 | V | A | 0.0000 | |
| 148 | S | A | -1.1099 | |
| 149 | G | A | -1.2387 | |
| 150 | G | A | -0.9456 | |
| 151 | S | A | -0.7461 | |
| 152 | I | A | 0.0000 | |
| 153 | S | A | -0.4004 | |
| 154 | S | A | -0.3838 | |
| 155 | G | A | -0.1086 | |
| 156 | D | A | -0.2442 | |
| 157 | Y | A | 0.4018 | |
| 158 | Y | A | 0.5241 | |
| 159 | W | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | W | A | 0.0000 | |
| 162 | I | A | 0.0000 | |
| 163 | R | A | -0.7349 | |
| 164 | Q | A | -1.0378 | |
| 165 | P | A | 0.0000 | |
| 166 | P | A | -1.4394 | |
| 167 | G | A | -1.5471 | |
| 168 | K | A | -2.2859 | |
| 169 | G | A | -1.4004 | |
| 170 | L | A | 0.0000 | |
| 171 | E | A | -0.9433 | |
| 172 | W | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | Y | A | 0.1335 | |
| 176 | I | A | 0.0000 | |
| 177 | Y | A | 0.3495 | |
| 178 | Y | A | 0.2370 | |
| 179 | S | A | -0.1323 | |
| 180 | G | A | -0.2102 | |
| 181 | S | A | -0.2318 | |
| 182 | T | A | -0.1735 | |
| 183 | D | A | -0.6711 | |
| 184 | Y | A | -0.6667 | |
| 185 | N | A | -0.9656 | |
| 186 | P | A | -1.1955 | |
| 187 | S | A | -0.8273 | |
| 188 | L | A | -1.2288 | |
| 189 | K | A | -2.1480 | |
| 190 | S | A | -1.6742 | |
| 191 | R | A | -2.1453 | |
| 192 | V | A | 0.0000 | |
| 193 | T | A | -1.0614 | |
| 194 | M | A | 0.0000 | |
| 195 | S | A | -0.1877 | |
| 196 | V | A | -0.3197 | |
| 197 | D | A | -1.1851 | |
| 198 | T | A | -1.0938 | |
| 199 | S | A | -1.3584 | |
| 200 | K | A | -2.2012 | |
| 201 | N | A | -1.5014 | |
| 202 | Q | A | -1.2005 | |
| 203 | F | A | 0.0000 | |
| 204 | S | A | -0.4015 | |
| 205 | L | A | 0.0000 | |
| 206 | K | A | -1.2414 | |
| 207 | V | A | 0.0000 | |
| 208 | N | A | -2.1487 | |
| 209 | S | A | -1.5152 | |
| 210 | V | A | 0.0000 | |
| 211 | T | A | -0.6317 | |
| 212 | A | A | -0.2850 | |
| 213 | A | A | -0.1623 | |
| 214 | D | A | 0.0000 | |
| 215 | K | A | -0.6887 | mutated: TK215A |
| 216 | A | A | 0.0000 | |
| 217 | V | A | -0.3572 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0000 | |
| 220 | C | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | R | A | -0.3976 | |
| 223 | V | A | 0.0000 | |
| 224 | S | A | 0.4012 | |
| 225 | I | A | 1.2295 | |
| 226 | F | A | 1.8357 | |
| 227 | G | A | 0.5791 | |
| 228 | V | A | 0.5288 | |
| 229 | G | A | 0.3641 | |
| 230 | T | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | D | A | -1.3701 | |
| 233 | Y | A | -1.0728 | |
| 234 | W | A | -0.8243 | |
| 235 | G | A | 0.0000 | |
| 236 | Q | A | -0.7895 | |
| 237 | G | A | 0.0000 | |
| 238 | T | A | -0.7911 | |
| 239 | R | A | -1.0816 | mutated: LR239A |
| 240 | V | A | 0.0000 | |
| 241 | T | A | -0.4207 | |
| 242 | V | A | 0.0000 | |
| 243 | S | A | -0.4076 | |
| 244 | S | A | -0.4931 | |
| 245 | A | A | -0.5780 | |
| 246 | A | A | -0.9416 | |
| 247 | G | A | -1.2754 | |
| 248 | G | A | -1.3613 | |
| 249 | G | A | -1.3458 | |
| 250 | G | A | -1.4167 | |
| 251 | S | A | -1.5550 | |
| 252 | D | A | -2.3227 | |
| 253 | V | A | -1.0598 | |
| 254 | Q | A | -0.9588 | |
| 255 | L | A | 0.0000 | |
| 256 | V | A | -0.2459 | |
| 257 | Q | A | -0.5198 | |
| 258 | S | A | -0.8941 | |
| 259 | G | A | -0.9986 | |
| 260 | A | A | -0.7205 | |
| 261 | E | A | -0.9327 | |
| 262 | V | A | -0.5030 | |
| 263 | K | A | -1.5558 | |
| 264 | K | A | -2.3640 | |
| 265 | P | A | -2.0861 | |
| 266 | G | A | -1.5481 | |
| 267 | A | A | -1.2019 | |
| 268 | S | A | -1.4470 | |
| 269 | V | A | 0.0000 | |
| 270 | K | A | -2.0658 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | -0.8467 | |
| 273 | C | A | 0.0000 | |
| 274 | K | A | -1.1198 | |
| 275 | A | A | 0.0000 | |
| 276 | S | A | -0.9337 | |
| 277 | G | A | -1.3103 | |
| 278 | Y | A | -0.7027 | |
| 279 | T | A | -0.7601 | |
| 280 | F | A | 0.0000 | |
| 281 | T | A | -1.5904 | |
| 282 | R | A | -2.1094 | |
| 283 | Y | A | -0.8221 | |
| 284 | T | A | -0.5889 | |
| 285 | M | A | 0.0000 | |
| 286 | H | A | 0.0000 | |
| 287 | W | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | R | A | -0.7197 | |
| 290 | Q | A | -0.9198 | |
| 291 | A | A | 0.0000 | |
| 292 | P | A | -1.2711 | |
| 293 | G | A | -1.2548 | |
| 294 | Q | A | -1.8027 | |
| 295 | G | A | -1.2218 | |
| 296 | L | A | 0.0000 | |
| 297 | E | A | -0.9696 | |
| 298 | W | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | G | A | 0.0000 | |
| 301 | Y | A | 0.0648 | |
| 302 | I | A | 0.0000 | |
| 303 | N | A | -0.8700 | |
| 304 | P | A | 0.0000 | |
| 305 | S | A | -1.6576 | |
| 306 | R | A | -1.9812 | |
| 307 | G | A | -0.8408 | |
| 308 | Y | A | 0.2472 | |
| 309 | T | A | -0.1319 | |
| 310 | N | A | -1.0905 | |
| 311 | Y | A | -1.4187 | |
| 312 | A | A | -1.7137 | |
| 313 | D | A | -2.5727 | |
| 314 | S | A | -1.7505 | |
| 315 | V | A | -1.5765 | |
| 316 | K | A | -2.7596 | |
| 317 | G | A | -1.8310 | |
| 318 | R | A | -1.5781 | |
| 319 | F | A | 0.0000 | |
| 320 | T | A | -0.9671 | |
| 321 | I | A | 0.0000 | |
| 322 | T | A | -0.3634 | |
| 323 | T | A | -1.0811 | |
| 324 | D | A | -1.7849 | |
| 325 | K | A | -2.2329 | |
| 326 | S | A | -1.3051 | |
| 327 | T | A | -1.1492 | |
| 328 | S | A | -1.3253 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | Y | A | -0.7053 | |
| 332 | M | A | 0.0000 | |
| 333 | E | A | -1.4702 | |
| 334 | L | A | 0.0000 | |
| 335 | S | A | -1.2763 | |
| 336 | S | A | -1.2713 | |
| 337 | L | A | 0.0000 | |
| 338 | R | A | -2.8648 | |
| 339 | S | A | -2.2785 | |
| 340 | E | A | -2.4726 | |
| 341 | D | A | 0.0000 | |
| 342 | T | A | -1.1756 | |
| 343 | A | A | 0.0000 | |
| 344 | T | A | -0.4325 | |
| 345 | Y | A | 0.0000 | |
| 346 | Y | A | 0.0000 | |
| 347 | C | A | 0.0000 | |
| 348 | A | A | 0.0000 | |
| 349 | R | A | 0.0000 | |
| 350 | Y | A | -0.3673 | |
| 351 | Y | A | -1.0274 | |
| 352 | D | A | -2.5490 | |
| 353 | D | A | -2.5410 | |
| 354 | H | A | -1.5070 | |
| 355 | Y | A | -0.4653 | |
| 356 | C | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | D | A | -0.0417 | |
| 359 | Y | A | 0.1763 | |
| 360 | W | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | Q | A | -0.9443 | |
| 363 | G | A | -0.7867 | |
| 364 | T | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | S | A | -1.0377 | |
| 370 | S | A | -1.3664 | |
| 371 | A | A | -1.0148 | |
| 372 | A | A | -0.9008 | |
| 373 | G | A | -1.0662 | |
| 374 | G | A | -1.1317 | |
| 375 | G | A | -1.1693 | |
| 376 | G | A | -1.1912 | |
| 377 | S | A | -1.0489 | |
| 378 | G | A | -1.1751 | |
| 379 | G | A | -1.2239 | |
| 380 | G | A | -1.1994 | |
| 381 | G | A | -1.2701 | |
| 382 | S | A | -1.0560 | |
| 383 | G | A | -1.2435 | |
| 384 | G | A | -1.3522 | |
| 385 | G | A | -1.3343 | |
| 386 | G | A | -1.5877 | |
| 387 | S | A | -1.5576 | |
| 388 | D | A | -2.5407 | |
| 389 | I | A | -2.0208 | |
| 390 | K | A | -2.6178 | mutated: VK390A |
| 391 | L | A | 0.0000 | |
| 392 | T | A | -1.4870 | |
| 393 | Q | A | -0.9064 | |
| 394 | S | A | -0.8541 | |
| 395 | P | A | -0.5216 | |
| 396 | A | A | -0.6115 | |
| 397 | T | A | -0.8971 | |
| 398 | L | A | -0.6917 | |
| 399 | S | A | -1.0622 | |
| 400 | L | A | -1.2819 | |
| 401 | S | A | -1.5651 | |
| 402 | P | A | -1.9069 | |
| 403 | G | A | -1.9967 | |
| 404 | E | A | -2.5926 | |
| 405 | R | A | -3.0758 | |
| 406 | A | A | 0.0000 | |
| 407 | T | A | -0.7899 | |
| 408 | L | A | 0.0000 | |
| 409 | S | A | -0.9109 | |
| 410 | C | A | 0.0000 | |
| 411 | R | A | -2.9042 | |
| 412 | A | A | 0.0000 | |
| 413 | S | A | -2.1173 | |
| 414 | Q | A | -2.2611 | |
| 415 | S | A | -1.3041 | |
| 416 | V | A | 0.0000 | |
| 417 | S | A | -0.2411 | |
| 418 | Y | A | -0.1448 | |
| 419 | M | A | 0.0000 | |
| 420 | N | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | Y | A | 0.0000 | |
| 423 | Q | A | 0.0000 | |
| 424 | Q | A | 0.0000 | |
| 425 | K | A | -1.6615 | |
| 426 | P | A | -1.2043 | |
| 427 | G | A | -1.7379 | |
| 428 | K | A | -2.2993 | |
| 429 | A | A | -1.4824 | |
| 430 | P | A | 0.0000 | |
| 431 | K | A | -2.0094 | |
| 432 | R | A | -0.8576 | |
| 433 | W | A | 0.0000 | |
| 434 | I | A | 0.0000 | |
| 435 | Y | A | -0.4790 | |
| 436 | D | A | -0.7821 | |
| 437 | T | A | -0.4872 | |
| 438 | S | A | -0.7050 | |
| 439 | K | A | -0.9418 | |
| 440 | V | A | 0.0249 | |
| 441 | A | A | 0.0000 | |
| 442 | S | A | -0.3528 | |
| 443 | G | A | -0.3707 | |
| 444 | V | A | -0.0628 | |
| 445 | P | A | -0.1721 | |
| 446 | A | A | -0.2672 | |
| 447 | R | A | -1.0863 | |
| 448 | F | A | 0.0000 | |
| 449 | S | A | -0.5093 | |
| 450 | G | A | 0.0000 | |
| 451 | S | A | -0.7781 | |
| 452 | G | A | -0.9760 | |
| 453 | S | A | -0.9613 | |
| 454 | G | A | -1.2298 | |
| 455 | T | A | -1.7852 | |
| 456 | D | A | -2.1086 | |
| 457 | Y | A | 0.0000 | |
| 458 | S | A | -0.7875 | |
| 459 | L | A | 0.0000 | |
| 460 | T | A | -0.8539 | |
| 461 | I | A | 0.0000 | |
| 462 | N | A | -2.3539 | |
| 463 | S | A | -2.1801 | |
| 464 | L | A | 0.0000 | |
| 465 | E | A | -2.4020 | |
| 466 | A | A | -1.7283 | |
| 467 | E | A | -2.2679 | |
| 468 | D | A | 0.0000 | |
| 469 | A | A | -1.5390 | |
| 470 | A | A | 0.0000 | |
| 471 | T | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | Y | A | 0.0000 | |
| 474 | C | A | 0.0000 | |
| 475 | Q | A | 0.0000 | |
| 476 | Q | A | 0.0000 | |
| 477 | W | A | -0.4752 | |
| 478 | S | A | -0.5490 | |
| 479 | S | A | -1.0215 | |
| 480 | N | A | -1.6799 | |
| 481 | P | A | -1.4985 | |
| 482 | L | A | 0.0000 | |
| 483 | T | A | -0.9497 | |
| 484 | F | A | 0.0000 | |
| 485 | G | A | 0.0000 | |
| 486 | G | A | -1.2380 | |
| 487 | G | A | -0.9432 | |
| 488 | T | A | 0.0000 | |
| 489 | K | A | -2.0136 | |
| 490 | V | A | 0.0000 | |
| 491 | E | A | -2.0202 | |
| 492 | I | A | -1.3834 | |
| 493 | K | A | -1.6018 | |
| 494 | A | A | -0.7614 |
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