| Chain sequence(s) |
A: QVQLVESGGGVVQPGRSLRLDCKASGITFSNSGMHWVRQAPGKGLEWVAVIWYDGSKRYYADSVKGRFTISRDNSKNTLFLQMNSLRAEDTAVYYCATNDDYWGQGTLVTVSSASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESKYGPPCPPCPAPEFLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSQEDPEVQFNWYVDGVEVHNAKTKPREEQFNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKGLPSSIEKTISKAKGQPREPQVYTLPPSQEEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSRLTVDKSRWQEGNVFSCSVMHEALHNHYTQKSLSLSLGK
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 (00:07:49)
[INFO] Main: Simulation completed successfully. (00:07:54)
|
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 | Q | A | -1.4583 | |
| 2 | V | A | -0.8100 | |
| 3 | Q | A | -1.1347 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.4749 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.4698 | |
| 8 | G | A | -0.7108 | |
| 9 | G | A | -0.3771 | |
| 10 | G | A | -0.2705 | |
| 11 | V | A | 0.2693 | |
| 12 | V | A | -0.5791 | |
| 13 | Q | A | -1.3705 | |
| 14 | P | A | -1.7750 | |
| 15 | G | A | -1.9332 | |
| 16 | R | A | -2.6001 | |
| 17 | S | A | -1.9596 | |
| 18 | L | A | -1.2966 | |
| 19 | R | A | -1.6901 | |
| 20 | L | A | 0.0000 | |
| 21 | D | A | -0.7992 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.2755 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.1260 | |
| 26 | G | A | -0.9431 | |
| 27 | I | A | -0.4753 | |
| 28 | T | A | -0.4978 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.1986 | |
| 31 | N | A | -1.5023 | |
| 32 | S | A | -1.1498 | |
| 33 | G | A | -1.0339 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | -0.2053 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.4477 | |
| 40 | A | A | -1.1386 | |
| 41 | P | A | -0.9661 | |
| 42 | G | A | -1.4157 | |
| 43 | K | A | -2.1101 | |
| 44 | G | A | -0.9128 | |
| 45 | L | A | 0.5789 | |
| 46 | E | A | -0.1329 | |
| 47 | W | A | 0.5843 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.6358 | |
| 53 | Y | A | -0.6613 | |
| 54 | D | A | -1.9762 | |
| 55 | G | A | -1.4773 | |
| 56 | S | A | -1.3324 | |
| 57 | K | A | -1.4015 | |
| 58 | R | A | -1.0566 | |
| 59 | Y | A | 0.1601 | |
| 60 | Y | A | -0.3737 | |
| 61 | A | A | -0.9082 | |
| 62 | D | A | -2.1805 | |
| 63 | S | A | -1.7197 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.4120 | |
| 66 | G | A | -1.7658 | |
| 67 | R | A | -1.4821 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.7984 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.4661 | |
| 72 | R | A | -1.0524 | |
| 73 | D | A | -1.8759 | |
| 74 | N | A | -2.1382 | |
| 75 | S | A | -1.6836 | |
| 76 | K | A | -2.6162 | |
| 77 | N | A | -2.1180 | |
| 78 | T | A | -1.5123 | |
| 79 | L | A | 0.0000 | |
| 80 | F | A | -0.6166 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.0910 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.8759 | |
| 85 | S | A | -1.7309 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.3086 | |
| 88 | A | A | -1.5223 | |
| 89 | E | A | -2.1821 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.6933 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3103 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.3538 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | N | A | -2.6728 | |
| 100 | D | A | -3.0215 | |
| 101 | D | A | -2.6264 | |
| 102 | Y | A | -0.8803 | |
| 103 | W | A | -0.3429 | |
| 104 | G | A | -0.3324 | |
| 105 | Q | A | -0.8427 | |
| 106 | G | A | -0.1859 | |
| 107 | T | A | 0.0053 | |
| 108 | L | A | 0.1247 | |
| 109 | V | A | 0.0000 | |
| 110 | T | A | 0.0000 | |
| 111 | V | A | 0.0000 | |
| 112 | S | A | -0.5736 | |
| 113 | S | A | -0.3922 | |
| 114 | A | A | -0.4157 | |
| 115 | S | A | -0.6263 | |
| 116 | T | A | -0.8981 | |
| 117 | K | A | -1.6545 | |
| 118 | G | A | -1.8168 | |
| 119 | P | A | 0.0000 | |
| 120 | S | A | -0.3279 | |
| 121 | V | A | 0.0000 | |
| 122 | F | A | 0.7419 | |
| 123 | P | A | -0.0382 | |
| 124 | L | A | 0.5791 | |
| 125 | A | A | -0.0965 | |
| 126 | P | A | -0.3804 | |
| 127 | C | A | 0.1047 | |
| 128 | S | A | -0.7548 | |
| 129 | R | A | -2.1348 | |
| 130 | S | A | -1.6772 | |
| 131 | T | A | -1.5626 | |
| 132 | S | A | -1.5746 | |
| 133 | E | A | -2.3836 | |
| 134 | S | A | -1.2978 | |
| 135 | T | A | -0.9624 | |
| 136 | A | A | -0.7973 | |
| 137 | A | A | 0.1595 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | C | A | 0.0000 | |
| 141 | L | A | 0.6230 | |
| 142 | V | A | 0.0000 | |
| 143 | K | A | -0.3699 | |
| 144 | D | A | -0.5500 | |
| 145 | Y | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | E | A | -0.2645 | |
| 149 | P | A | -0.8206 | |
| 150 | V | A | -0.9481 | |
| 151 | T | A | -0.9431 | |
| 152 | V | A | -0.6365 | |
| 153 | S | A | -0.6386 | |
| 154 | W | A | 0.0000 | |
| 155 | N | A | -1.1111 | |
| 156 | S | A | -0.8253 | |
| 157 | G | A | -0.5956 | |
| 158 | A | A | -0.2659 | |
| 159 | L | A | -0.0625 | |
| 160 | T | A | -0.2872 | |
| 161 | S | A | -0.2986 | |
| 162 | G | A | -0.3354 | |
| 163 | V | A | -0.0154 | |
| 164 | H | A | -0.4342 | |
| 165 | T | A | 0.3824 | |
| 166 | F | A | 1.4623 | |
| 167 | P | A | 0.9671 | |
| 168 | A | A | 1.3177 | |
| 169 | V | A | 2.4053 | |
| 170 | L | A | 1.9845 | |
| 171 | Q | A | 0.3784 | |
| 172 | S | A | -0.0972 | |
| 173 | S | A | -0.3795 | |
| 174 | G | A | -0.0103 | |
| 175 | L | A | 0.0736 | |
| 176 | Y | A | 0.6484 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.8036 | |
| 180 | S | A | 0.0000 | |
| 181 | V | A | 0.4360 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.1975 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.6039 | |
| 186 | S | A | -0.9961 | |
| 187 | S | A | -0.6187 | |
| 188 | S | A | 0.0000 | |
| 189 | L | A | -1.0297 | |
| 190 | G | A | -1.4788 | |
| 191 | T | A | -1.3221 | |
| 192 | K | A | -2.1048 | |
| 193 | T | A | -1.7261 | |
| 194 | Y | A | 0.0000 | |
| 195 | T | A | -1.9701 | |
| 196 | C | A | 0.0000 | |
| 197 | N | A | -1.9394 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -2.8807 | |
| 200 | H | A | 0.0000 | |
| 201 | K | A | -2.9864 | |
| 202 | P | A | -1.7544 | |
| 203 | S | A | -2.0276 | |
| 204 | N | A | -2.8208 | |
| 205 | T | A | -2.4017 | |
| 206 | K | A | -3.0967 | |
| 207 | V | A | -1.9964 | |
| 208 | D | A | -2.8414 | |
| 209 | K | A | -2.3903 | |
| 210 | R | A | -2.6315 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -2.9610 | |
| 213 | S | A | -1.8366 | |
| 214 | K | A | -1.9691 | |
| 215 | Y | A | -0.7527 | |
| 216 | G | A | -0.6022 | |
| 217 | P | A | -0.4931 | |
| 218 | P | A | -0.3965 | |
| 219 | C | A | 0.0976 | |
| 220 | P | A | -0.0529 | |
| 221 | P | A | 0.0326 | |
| 222 | C | A | 0.4939 | |
| 223 | P | A | -0.3843 | |
| 224 | A | A | 0.1270 | |
| 225 | P | A | -0.2098 | |
| 226 | E | A | -0.7294 | |
| 227 | F | A | 1.4859 | |
| 228 | L | A | 1.6414 | |
| 229 | G | A | 0.3365 | |
| 230 | G | A | -0.0332 | |
| 231 | P | A | 0.0000 | |
| 232 | S | A | -0.0585 | |
| 233 | V | A | 0.0000 | |
| 234 | F | A | 1.1819 | |
| 235 | L | A | 0.9072 | |
| 236 | F | A | 1.2186 | |
| 237 | P | A | -0.1295 | |
| 238 | P | A | 0.0000 | |
| 239 | K | A | -2.0268 | |
| 240 | P | A | -1.3895 | |
| 241 | K | A | -1.1148 | |
| 242 | D | A | -1.1614 | |
| 243 | T | A | 0.0000 | |
| 244 | L | A | -0.3318 | |
| 245 | M | A | 0.4376 | |
| 246 | I | A | 1.5286 | |
| 247 | S | A | 0.1993 | |
| 248 | R | A | -0.7437 | |
| 249 | T | A | -0.5828 | |
| 250 | P | A | 0.0000 | |
| 251 | E | A | -0.9199 | |
| 252 | V | A | 0.0000 | |
| 253 | T | A | 0.1017 | |
| 254 | C | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | V | A | -0.6374 | |
| 258 | D | A | -1.6062 | |
| 259 | V | A | 0.0000 | |
| 260 | S | A | -2.1557 | |
| 261 | Q | A | -2.6469 | |
| 262 | E | A | -3.0302 | |
| 263 | D | A | -2.7221 | |
| 264 | P | A | -2.7223 | |
| 265 | E | A | -3.0103 | |
| 266 | V | A | -1.8194 | |
| 267 | Q | A | -1.7700 | |
| 268 | F | A | -1.2264 | |
| 269 | N | A | -1.2163 | |
| 270 | W | A | 0.0000 | |
| 271 | Y | A | -0.7956 | |
| 272 | V | A | -0.9380 | |
| 273 | D | A | -2.1365 | |
| 274 | G | A | -0.9642 | |
| 275 | V | A | 0.4369 | |
| 276 | E | A | -0.9161 | |
| 277 | V | A | -0.8785 | |
| 278 | H | A | -1.9629 | |
| 279 | N | A | -2.2001 | |
| 280 | A | A | -1.9112 | |
| 281 | K | A | -2.4777 | |
| 282 | T | A | -2.0387 | |
| 283 | K | A | -2.6122 | |
| 284 | P | A | -2.5177 | |
| 285 | R | A | -3.5687 | |
| 286 | E | A | -3.5217 | |
| 287 | E | A | -3.2018 | |
| 288 | Q | A | -1.4831 | |
| 289 | F | A | 0.7590 | |
| 290 | N | A | -0.5128 | |
| 291 | S | A | -1.0903 | |
| 292 | T | A | -1.8636 | |
| 293 | Y | A | -2.5053 | |
| 294 | R | A | -2.4581 | |
| 295 | V | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | S | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | T | A | -0.5733 | |
| 301 | V | A | 0.0000 | |
| 302 | L | A | 0.5976 | |
| 303 | H | A | -0.1583 | |
| 304 | Q | A | -1.1699 | |
| 305 | D | A | -1.2898 | |
| 306 | W | A | 0.0000 | |
| 307 | L | A | -1.0310 | |
| 308 | N | A | -2.2504 | |
| 309 | G | A | -2.1527 | |
| 310 | K | A | -2.2129 | |
| 311 | E | A | -2.2125 | |
| 312 | Y | A | 0.0000 | |
| 313 | K | A | -1.7086 | |
| 314 | C | A | 0.0000 | |
| 315 | K | A | -1.6541 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.4665 | |
| 318 | N | A | 0.0000 | |
| 319 | K | A | -2.7466 | |
| 320 | G | A | -1.8096 | |
| 321 | L | A | 0.0000 | |
| 322 | P | A | -0.5696 | |
| 323 | S | A | -0.8056 | |
| 324 | S | A | -1.0332 | |
| 325 | I | A | -0.8910 | |
| 326 | E | A | -2.2092 | |
| 327 | K | A | -1.2683 | |
| 328 | T | A | -0.8550 | |
| 329 | I | A | -0.2395 | |
| 330 | S | A | -1.2268 | |
| 331 | K | A | -1.4472 | |
| 332 | A | A | -1.2712 | |
| 333 | K | A | -2.3973 | |
| 334 | G | A | -2.0823 | |
| 335 | Q | A | -2.3059 | |
| 336 | P | A | -2.1265 | |
| 337 | R | A | -2.8472 | |
| 338 | E | A | -3.0770 | |
| 339 | P | A | 0.0000 | |
| 340 | Q | A | -1.6696 | |
| 341 | V | A | -0.4484 | |
| 342 | Y | A | 0.7998 | |
| 343 | T | A | 0.0000 | |
| 344 | L | A | 0.3658 | |
| 345 | P | A | -0.1076 | |
| 346 | P | A | -0.8658 | |
| 347 | S | A | -1.4117 | |
| 348 | Q | A | -2.2522 | |
| 349 | E | A | -2.8358 | |
| 350 | E | A | -2.4758 | |
| 351 | M | A | -2.1834 | |
| 352 | T | A | -2.0658 | |
| 353 | K | A | -3.1421 | |
| 354 | N | A | -2.9491 | |
| 355 | Q | A | -2.6844 | |
| 356 | V | A | 0.0000 | |
| 357 | S | A | -0.9131 | |
| 358 | L | A | 0.0000 | |
| 359 | T | A | -0.4298 | |
| 360 | C | A | 0.0000 | |
| 361 | L | A | 0.3421 | |
| 362 | V | A | 0.0000 | |
| 363 | K | A | -1.1496 | |
| 364 | G | A | -1.6813 | |
| 365 | F | A | 0.0000 | |
| 366 | Y | A | -1.3155 | |
| 367 | P | A | 0.0000 | |
| 368 | S | A | 0.1726 | |
| 369 | D | A | -1.2100 | |
| 370 | I | A | -0.6375 | |
| 371 | A | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -1.3115 | |
| 374 | W | A | 0.0000 | |
| 375 | E | A | -2.0053 | |
| 376 | S | A | 0.0000 | |
| 377 | N | A | -1.9379 | |
| 378 | G | A | -1.8527 | |
| 379 | Q | A | -2.3681 | |
| 380 | P | A | -2.0620 | |
| 381 | E | A | -2.0498 | |
| 382 | N | A | -2.5244 | |
| 383 | N | A | -2.5365 | |
| 384 | Y | A | -2.3807 | |
| 385 | K | A | -2.6615 | |
| 386 | T | A | -1.2046 | |
| 387 | T | A | -0.3928 | |
| 388 | P | A | 0.1099 | |
| 389 | P | A | 0.7257 | |
| 390 | V | A | 1.7362 | |
| 391 | L | A | 1.3163 | |
| 392 | D | A | -0.6025 | |
| 393 | S | A | -1.1037 | |
| 394 | D | A | -2.0870 | |
| 395 | G | A | -0.9800 | |
| 396 | S | A | 0.0000 | |
| 397 | F | A | 0.2537 | |
| 398 | F | A | 0.5242 | |
| 399 | L | A | 0.0000 | |
| 400 | Y | A | 0.2288 | |
| 401 | S | A | 0.0000 | |
| 402 | R | A | -2.3538 | |
| 403 | L | A | 0.0000 | |
| 404 | T | A | -1.6776 | |
| 405 | V | A | 0.0000 | |
| 406 | D | A | -2.4920 | |
| 407 | K | A | -2.7476 | |
| 408 | S | A | -2.2540 | |
| 409 | R | A | -2.1246 | |
| 410 | W | A | 0.0000 | |
| 411 | Q | A | -2.2068 | |
| 412 | E | A | -2.4384 | |
| 413 | G | A | -1.1416 | |
| 414 | N | A | -1.0267 | |
| 415 | V | A | -0.0804 | |
| 416 | F | A | 0.0000 | |
| 417 | S | A | -1.1752 | |
| 418 | C | A | 0.0000 | |
| 419 | S | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | M | A | 0.0000 | |
| 422 | H | A | 0.0000 | |
| 423 | E | A | -1.3194 | |
| 424 | A | A | -1.7172 | |
| 425 | L | A | -1.6483 | |
| 426 | H | A | -1.8006 | |
| 427 | N | A | -1.7139 | |
| 428 | H | A | -1.2338 | |
| 429 | Y | A | -0.6457 | |
| 430 | T | A | -1.0499 | |
| 431 | Q | A | -1.4531 | |
| 432 | K | A | -1.0830 | |
| 433 | S | A | -0.5151 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | -0.0444 | |
| 436 | L | A | -0.0812 | |
| 437 | S | A | 0.2090 | |
| 438 | L | A | 0.5105 | |
| 439 | G | A | -0.5728 | |
| 440 | K | A | -1.5370 |
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