| 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 (00:08:58)
[INFO] Main: Simulation completed successfully. (00:09:02)
|
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 | -1.4720 | |
| 2 | V | A | -0.8383 | |
| 3 | Q | A | -1.2626 | |
| 4 | L | A | 0.0000 | |
| 5 | V | A | 0.0383 | |
| 6 | E | A | 0.0000 | |
| 7 | S | A | -0.4979 | |
| 8 | G | A | -0.7952 | |
| 9 | G | A | -0.3540 | |
| 10 | G | A | -0.0460 | |
| 11 | V | A | 0.3183 | |
| 12 | V | A | 0.0000 | |
| 13 | Q | A | -2.0320 | |
| 14 | P | A | -2.2055 | |
| 15 | G | A | -2.1814 | |
| 16 | R | A | -2.6232 | |
| 17 | S | A | -2.0980 | |
| 18 | L | A | -1.5564 | |
| 19 | R | A | -2.1968 | |
| 20 | L | A | 0.0000 | |
| 21 | D | A | -1.0007 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.3940 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.2127 | |
| 26 | G | A | -0.9326 | |
| 27 | I | A | -0.4390 | |
| 28 | T | A | -0.4716 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -1.3706 | |
| 31 | N | A | -1.4500 | |
| 32 | S | A | -1.0888 | |
| 33 | G | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | H | A | -0.2713 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5140 | |
| 40 | A | A | -1.1215 | |
| 41 | P | A | -1.1374 | |
| 42 | G | A | -1.5904 | |
| 43 | K | A | -2.1176 | |
| 44 | G | A | -0.9447 | |
| 45 | L | A | 0.5986 | |
| 46 | E | A | -0.2042 | |
| 47 | W | A | 0.1853 | |
| 48 | V | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.5694 | |
| 53 | Y | A | -0.5872 | |
| 54 | D | A | -1.9420 | |
| 55 | G | A | -1.3526 | |
| 56 | S | A | -1.3187 | |
| 57 | K | A | -1.5344 | |
| 58 | R | A | -0.9141 | |
| 59 | Y | A | 0.0371 | |
| 60 | Y | A | -0.4870 | |
| 61 | A | A | -1.0738 | |
| 62 | D | A | -2.2978 | |
| 63 | S | A | -1.7637 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.4745 | |
| 66 | G | A | -1.7435 | |
| 67 | R | A | -1.3574 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.9093 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5060 | |
| 72 | R | A | -1.0400 | |
| 73 | D | A | -1.9601 | |
| 74 | N | A | -2.1442 | |
| 75 | S | A | -1.7376 | |
| 76 | K | A | -2.7016 | |
| 77 | N | A | -2.2564 | |
| 78 | T | A | -1.6274 | |
| 79 | L | A | 0.0000 | |
| 80 | F | A | -0.7443 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.5491 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.8270 | |
| 85 | S | A | -1.8003 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.8831 | |
| 88 | A | A | -1.9143 | |
| 89 | E | A | -2.3846 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.7729 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.4173 | |
| 94 | Y | A | 0.0000 | |
| 95 | Y | A | 0.3413 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | T | A | 0.0000 | |
| 99 | N | A | -2.6667 | |
| 100 | D | A | -3.0356 | |
| 101 | D | A | -2.6356 | |
| 102 | Y | A | -0.8521 | |
| 103 | W | A | -0.2571 | |
| 104 | G | A | -0.3745 | |
| 105 | Q | A | -0.9167 | |
| 106 | G | A | 0.0000 | |
| 107 | T | A | 0.0627 | |
| 108 | L | A | 0.4558 | |
| 109 | V | A | 0.0000 | |
| 110 | T | A | -0.3027 | |
| 111 | V | A | 0.0000 | |
| 112 | S | A | -0.8990 | |
| 113 | S | A | -0.6340 | |
| 114 | A | A | -0.4901 | |
| 115 | S | A | -0.6774 | |
| 116 | T | A | -0.8315 | |
| 117 | K | A | -1.5838 | |
| 118 | G | A | -1.7098 | |
| 119 | P | A | 0.0000 | |
| 120 | S | A | -0.2234 | |
| 121 | V | A | 0.0000 | |
| 122 | F | A | 0.9013 | |
| 123 | P | A | -0.0207 | |
| 124 | L | A | 0.6183 | |
| 125 | A | A | -0.3269 | |
| 126 | P | A | -0.2675 | |
| 127 | C | A | 0.2595 | |
| 128 | S | A | -0.8913 | |
| 129 | R | A | -2.0576 | |
| 130 | S | A | -1.6425 | |
| 131 | T | A | -1.4614 | |
| 132 | S | A | -1.5713 | |
| 133 | E | A | -2.4175 | |
| 134 | S | A | -1.2880 | |
| 135 | T | A | -0.8789 | |
| 136 | A | A | -0.7238 | |
| 137 | A | A | 0.2024 | |
| 138 | L | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | C | A | 0.0000 | |
| 141 | L | A | 0.6175 | |
| 142 | V | A | 0.0000 | |
| 143 | K | A | -0.2783 | |
| 144 | D | A | -0.5557 | |
| 145 | Y | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | E | A | -0.3447 | |
| 149 | P | A | -0.8896 | |
| 150 | V | A | 0.0000 | |
| 151 | T | A | -0.8160 | |
| 152 | V | A | -0.5532 | |
| 153 | S | A | -0.5740 | |
| 154 | W | A | 0.0000 | |
| 155 | N | A | -0.9706 | |
| 156 | S | A | -0.7443 | |
| 157 | G | A | -0.5004 | |
| 158 | A | A | -0.2152 | |
| 159 | L | A | -0.0607 | |
| 160 | T | A | -0.2999 | |
| 161 | S | A | -0.3481 | |
| 162 | G | A | -0.4196 | |
| 163 | V | A | -0.0798 | |
| 164 | H | A | -0.4967 | |
| 165 | T | A | 0.2683 | |
| 166 | F | A | 1.3551 | |
| 167 | P | A | 0.9215 | |
| 168 | A | A | 1.3124 | |
| 169 | V | A | 2.4712 | |
| 170 | L | A | 2.1334 | |
| 171 | Q | A | 0.7105 | |
| 172 | S | A | 0.0940 | |
| 173 | S | A | -0.2354 | |
| 174 | G | A | 0.1956 | |
| 175 | L | A | 0.1961 | |
| 176 | Y | A | 0.7140 | |
| 177 | S | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | S | A | 0.7569 | |
| 180 | S | A | 0.0000 | |
| 181 | V | A | 0.3893 | |
| 182 | V | A | 0.0000 | |
| 183 | T | A | -0.2258 | |
| 184 | V | A | 0.0000 | |
| 185 | P | A | -0.5595 | |
| 186 | S | A | -0.9329 | |
| 187 | S | A | -0.4950 | |
| 188 | S | A | -0.5872 | |
| 189 | L | A | -0.7371 | |
| 190 | G | A | -1.0226 | |
| 191 | T | A | -0.9070 | |
| 192 | K | A | -1.6870 | |
| 193 | T | A | -1.4981 | |
| 194 | Y | A | 0.0000 | |
| 195 | T | A | -2.0111 | |
| 196 | C | A | 0.0000 | |
| 197 | N | A | -1.8026 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -2.2711 | |
| 200 | H | A | 0.0000 | |
| 201 | K | A | -2.8428 | |
| 202 | P | A | -1.6294 | |
| 203 | S | A | -1.9703 | |
| 204 | N | A | -2.6885 | |
| 205 | T | A | -2.2156 | |
| 206 | K | A | -2.8736 | |
| 207 | V | A | -1.9334 | |
| 208 | D | A | -2.9424 | |
| 209 | K | A | -2.5541 | |
| 210 | R | A | -2.9145 | |
| 211 | V | A | 0.0000 | |
| 212 | E | A | -2.8784 | |
| 213 | S | A | -1.5587 | |
| 214 | K | A | -1.6904 | |
| 215 | Y | A | -0.0989 | |
| 216 | G | A | -0.2216 | |
| 217 | P | A | -0.2830 | |
| 218 | P | A | -0.0924 | |
| 219 | C | A | 0.2216 | |
| 220 | P | A | -0.1240 | |
| 221 | P | A | -0.0127 | |
| 222 | C | A | 0.5320 | |
| 223 | P | A | -0.2970 | |
| 224 | A | A | -0.2469 | |
| 225 | P | A | -0.1676 | |
| 226 | E | A | -0.7030 | |
| 227 | F | A | 1.5741 | |
| 228 | L | A | 1.7001 | |
| 229 | G | A | 0.4280 | |
| 230 | G | A | -0.1773 | |
| 231 | P | A | 0.0000 | |
| 232 | S | A | 0.1068 | |
| 233 | V | A | 0.0000 | |
| 234 | F | A | 1.1697 | |
| 235 | L | A | 0.8914 | |
| 236 | F | A | 1.1643 | |
| 237 | P | A | -0.1638 | |
| 238 | P | A | 0.0000 | |
| 239 | K | A | -2.0507 | |
| 240 | P | A | -1.3663 | |
| 241 | K | A | -1.1640 | |
| 242 | D | A | -1.2861 | |
| 243 | T | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | M | A | 0.3327 | |
| 246 | I | A | 1.4502 | |
| 247 | S | A | 0.1159 | |
| 248 | R | A | -1.0432 | |
| 249 | T | A | -0.6920 | |
| 250 | P | A | 0.0000 | |
| 251 | E | A | -1.0456 | |
| 252 | V | A | 0.0000 | |
| 253 | T | A | 0.0584 | |
| 254 | C | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | V | A | -0.6768 | |
| 258 | D | A | -1.6439 | |
| 259 | V | A | 0.0000 | |
| 260 | S | A | -2.2254 | |
| 261 | Q | A | -2.7488 | |
| 262 | E | A | -3.1160 | |
| 263 | D | A | -2.8353 | |
| 264 | P | A | -2.7538 | |
| 265 | E | A | -3.0596 | |
| 266 | V | A | -1.8141 | |
| 267 | Q | A | -1.7915 | |
| 268 | F | A | -1.0665 | |
| 269 | N | A | -1.3689 | |
| 270 | W | A | 0.0000 | |
| 271 | Y | A | -0.7163 | |
| 272 | V | A | -0.8411 | |
| 273 | D | A | -1.9267 | |
| 274 | G | A | -0.8544 | |
| 275 | V | A | 0.4871 | |
| 276 | E | A | -0.9640 | |
| 277 | V | A | -0.8948 | |
| 278 | H | A | -1.9939 | |
| 279 | N | A | -2.2115 | |
| 280 | A | A | -1.9337 | |
| 281 | K | A | -2.4466 | |
| 282 | T | A | -1.9040 | |
| 283 | K | A | -2.3329 | |
| 284 | P | A | -2.3828 | |
| 285 | R | A | -3.4839 | |
| 286 | E | A | -3.8574 | |
| 287 | E | A | -3.3491 | |
| 288 | Q | A | -1.6351 | |
| 289 | F | A | 0.8335 | |
| 290 | N | A | -0.5331 | |
| 291 | S | A | -0.9569 | |
| 292 | T | A | -1.7535 | |
| 293 | Y | A | -2.5329 | |
| 294 | R | A | -2.3977 | |
| 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 | -0.6390 | |
| 301 | V | A | 0.0000 | |
| 302 | L | A | 0.5338 | |
| 303 | H | A | -0.2313 | |
| 304 | Q | A | -1.2261 | |
| 305 | D | A | -1.4516 | |
| 306 | W | A | 0.0000 | |
| 307 | L | A | -0.9994 | |
| 308 | N | A | -2.1451 | |
| 309 | G | A | -2.1300 | |
| 310 | K | A | -2.1934 | |
| 311 | E | A | -2.1421 | |
| 312 | Y | A | 0.0000 | |
| 313 | K | A | -1.5624 | |
| 314 | C | A | 0.0000 | |
| 315 | K | A | -1.6025 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.4150 | |
| 318 | N | A | 0.0000 | |
| 319 | K | A | -2.7341 | |
| 320 | G | A | -2.0727 | |
| 321 | L | A | -0.7485 | |
| 322 | P | A | -0.4071 | |
| 323 | S | A | -0.6933 | |
| 324 | S | A | -0.8836 | |
| 325 | I | A | -0.6696 | |
| 326 | E | A | -2.0549 | |
| 327 | K | A | -1.1802 | |
| 328 | T | A | -0.8027 | |
| 329 | I | A | -0.2328 | |
| 330 | S | A | -1.2311 | |
| 331 | K | A | -1.4404 | |
| 332 | A | A | -1.2340 | |
| 333 | K | A | -2.3789 | |
| 334 | G | A | -2.0216 | |
| 335 | Q | A | -2.1574 | |
| 336 | P | A | -1.7910 | |
| 337 | R | A | -2.2662 | |
| 338 | E | A | -2.5132 | |
| 339 | P | A | 0.0000 | |
| 340 | Q | A | -1.5440 | |
| 341 | V | A | -0.4772 | |
| 342 | Y | A | 0.5117 | |
| 343 | T | A | 0.3687 | |
| 344 | L | A | 0.6092 | |
| 345 | P | A | -0.0048 | |
| 346 | P | A | -0.8773 | |
| 347 | S | A | -1.4517 | |
| 348 | Q | A | -2.4707 | |
| 349 | E | A | -2.9087 | |
| 350 | E | A | -2.6903 | |
| 351 | M | A | -2.3912 | |
| 352 | T | A | -2.2739 | |
| 353 | K | A | -3.4894 | |
| 354 | N | A | -3.2343 | |
| 355 | Q | A | -3.2022 | |
| 356 | V | A | 0.0000 | |
| 357 | S | A | 0.0000 | |
| 358 | L | A | 0.0000 | |
| 359 | T | A | -0.2949 | |
| 360 | C | A | 0.0000 | |
| 361 | L | A | 0.3756 | |
| 362 | V | A | 0.0000 | |
| 363 | K | A | -0.8341 | |
| 364 | G | A | -1.4773 | |
| 365 | F | A | 0.0000 | |
| 366 | Y | A | -1.0013 | |
| 367 | P | A | 0.0000 | |
| 368 | S | A | 0.1153 | |
| 369 | D | A | -1.0579 | |
| 370 | I | A | -0.5594 | |
| 371 | A | A | 0.0000 | |
| 372 | V | A | 0.0000 | |
| 373 | E | A | -1.3233 | |
| 374 | W | A | 0.0000 | |
| 375 | E | A | -1.8217 | |
| 376 | S | A | -1.3869 | |
| 377 | N | A | -1.8901 | |
| 378 | G | A | -1.8056 | |
| 379 | Q | A | -2.3010 | |
| 380 | P | A | -2.0353 | |
| 381 | E | A | -2.0406 | |
| 382 | N | A | -2.5361 | |
| 383 | N | A | -2.4815 | |
| 384 | Y | A | -2.3295 | |
| 385 | K | A | -2.6274 | |
| 386 | T | A | -1.2013 | |
| 387 | T | A | -0.3798 | |
| 388 | P | A | 0.1091 | |
| 389 | P | A | 0.7562 | |
| 390 | V | A | 1.7386 | |
| 391 | L | A | 1.3250 | |
| 392 | D | A | -0.5774 | |
| 393 | S | A | -1.1098 | |
| 394 | D | A | -2.0900 | |
| 395 | G | A | -0.9204 | |
| 396 | S | A | 0.0000 | |
| 397 | F | A | 0.3225 | |
| 398 | F | A | 0.5771 | |
| 399 | L | A | 0.0000 | |
| 400 | Y | A | 0.2417 | |
| 401 | S | A | 0.0000 | |
| 402 | R | A | -2.0764 | |
| 403 | L | A | 0.0000 | |
| 404 | T | A | -1.7212 | |
| 405 | V | A | 0.0000 | |
| 406 | D | A | -2.9291 | |
| 407 | K | A | -3.2996 | |
| 408 | S | A | -2.6840 | |
| 409 | R | A | -2.7180 | |
| 410 | W | A | 0.0000 | |
| 411 | Q | A | -2.6081 | |
| 412 | E | A | -2.8746 | |
| 413 | G | A | -1.3236 | |
| 414 | N | A | -1.1842 | |
| 415 | V | A | -0.1506 | |
| 416 | F | A | 0.0000 | |
| 417 | S | A | 0.0000 | |
| 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 | -1.0093 | |
| 424 | A | A | -1.3549 | |
| 425 | L | A | -1.3818 | |
| 426 | H | A | -1.6915 | |
| 427 | N | A | -1.6641 | |
| 428 | H | A | -1.1144 | |
| 429 | Y | A | -0.3630 | |
| 430 | T | A | -0.6332 | |
| 431 | Q | A | -0.7948 | |
| 432 | K | A | -0.9808 | |
| 433 | S | A | -0.4415 | |
| 434 | L | A | 0.0000 | |
| 435 | S | A | -0.0392 | |
| 436 | L | A | 0.0546 | |
| 437 | S | A | 0.1711 | |
| 438 | L | A | 0.7145 | |
| 439 | G | A | -0.5302 | |
| 440 | K | A | -1.5392 |
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