| Chain sequence(s) |
A: EVQLLESGGGLVQPGGSLRLSCAVSGFTFNSFAMSWVRQAPGKGLEWVSAISGSGGGTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYFCAKDKILWFGEPVFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:56)
[INFO] Main: Simulation completed successfully. (00:08:01)
|
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 | E | A | -2.0833 | |
| 2 | V | A | -1.1067 | |
| 3 | Q | A | -1.0781 | |
| 4 | L | A | 0.0000 | |
| 5 | L | A | 0.8969 | |
| 6 | E | A | 0.0830 | |
| 7 | S | A | -0.3531 | |
| 8 | G | A | -0.8970 | |
| 9 | G | A | -0.4200 | |
| 10 | G | A | -0.3623 | |
| 11 | L | A | 0.1010 | |
| 12 | V | A | -0.5835 | |
| 13 | Q | A | -1.6405 | |
| 14 | P | A | -1.8520 | |
| 15 | G | A | -1.5106 | |
| 16 | G | A | -1.1111 | |
| 17 | S | A | -1.2907 | |
| 18 | L | A | -1.0350 | |
| 19 | R | A | -2.1162 | |
| 20 | L | A | 0.0000 | |
| 21 | S | A | -0.4694 | |
| 22 | C | A | 0.0000 | |
| 23 | A | A | -0.2695 | |
| 24 | V | A | 0.0000 | |
| 25 | S | A | -0.8598 | |
| 26 | G | A | -1.1486 | |
| 27 | F | A | -0.4824 | |
| 28 | T | A | -0.4764 | |
| 29 | F | A | 0.0000 | |
| 30 | N | A | -1.5395 | |
| 31 | S | A | -0.5129 | |
| 32 | F | A | 0.3332 | |
| 33 | A | A | 0.1769 | |
| 34 | M | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | R | A | 0.0000 | |
| 39 | Q | A | -0.5899 | |
| 40 | A | A | -1.1605 | |
| 41 | P | A | -1.1603 | |
| 42 | G | A | -1.6043 | |
| 43 | K | A | -2.1257 | |
| 44 | G | A | -0.9564 | |
| 45 | L | A | 0.6018 | |
| 46 | E | A | -0.1469 | |
| 47 | W | A | 0.2105 | |
| 48 | V | A | 0.0000 | |
| 49 | S | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | S | A | -0.2827 | |
| 53 | G | A | -0.6955 | |
| 54 | S | A | -0.9466 | |
| 55 | G | A | -0.9630 | |
| 56 | G | A | -0.7181 | |
| 57 | G | A | -0.1709 | |
| 58 | T | A | 0.4290 | |
| 59 | Y | A | 0.9450 | |
| 60 | Y | A | -0.1752 | |
| 61 | A | A | -1.0294 | |
| 62 | D | A | -2.2768 | |
| 63 | S | A | -1.7671 | |
| 64 | V | A | 0.0000 | |
| 65 | K | A | -2.4402 | |
| 66 | G | A | -1.7687 | |
| 67 | R | A | -1.5254 | |
| 68 | F | A | 0.0000 | |
| 69 | T | A | -0.6924 | |
| 70 | I | A | 0.0000 | |
| 71 | S | A | -0.5546 | |
| 72 | R | A | -1.3242 | |
| 73 | D | A | -2.0940 | |
| 74 | N | A | -2.3024 | |
| 75 | S | A | -1.9213 | |
| 76 | K | A | -2.5757 | |
| 77 | N | A | -2.2532 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Y | A | -0.6566 | |
| 81 | L | A | 0.0000 | |
| 82 | Q | A | -1.2445 | |
| 83 | M | A | 0.0000 | |
| 84 | N | A | -1.5097 | |
| 85 | S | A | -1.4159 | |
| 86 | L | A | 0.0000 | |
| 87 | R | A | -2.8464 | |
| 88 | A | A | -1.9754 | |
| 89 | E | A | -2.4359 | |
| 90 | D | A | 0.0000 | |
| 91 | T | A | -0.8404 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.3348 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.3633 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | K | A | 0.0000 | |
| 99 | D | A | 0.0000 | |
| 100 | K | A | 0.6789 | |
| 101 | I | A | 2.5500 | |
| 102 | L | A | 2.4317 | |
| 103 | W | A | 2.6159 | |
| 104 | F | A | 2.4997 | |
| 105 | G | A | 0.5340 | |
| 106 | E | A | -1.0910 | |
| 107 | P | A | 0.0147 | |
| 108 | V | A | 0.5327 | |
| 109 | F | A | 0.5496 | |
| 110 | D | A | 0.0401 | |
| 111 | Y | A | 0.6861 | |
| 112 | W | A | 0.5762 | |
| 113 | G | A | 0.0267 | |
| 114 | Q | A | -0.8398 | |
| 115 | G | A | -0.2095 | |
| 116 | T | A | 0.0447 | |
| 117 | L | A | 0.1678 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -0.4107 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.8894 | |
| 122 | S | A | -0.6083 | |
| 123 | A | A | -0.4526 | |
| 124 | S | A | -0.6667 | |
| 125 | T | A | -0.9587 | |
| 126 | K | A | -1.4214 | |
| 127 | G | A | -1.6053 | |
| 128 | P | A | 0.0000 | |
| 129 | S | A | -0.2353 | |
| 130 | V | A | 0.0000 | |
| 131 | F | A | 0.9101 | |
| 132 | P | A | 0.0408 | |
| 133 | L | A | 0.5036 | |
| 134 | A | A | -0.6618 | |
| 135 | P | A | -0.8779 | |
| 136 | S | A | -1.0152 | |
| 137 | S | A | -1.4695 | |
| 138 | K | A | -2.0337 | |
| 139 | S | A | -1.4072 | |
| 140 | T | A | -1.1242 | |
| 141 | S | A | -0.9699 | |
| 142 | G | A | -0.9151 | |
| 143 | G | A | -0.9095 | |
| 144 | T | A | -0.6634 | |
| 145 | A | A | 0.0000 | |
| 146 | A | A | 0.1087 | |
| 147 | L | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | C | A | 0.0000 | |
| 150 | L | A | 0.6601 | |
| 151 | V | A | 0.0000 | |
| 152 | K | A | -0.2970 | |
| 153 | D | A | -0.5325 | |
| 154 | Y | A | 0.0000 | |
| 155 | F | A | -0.3431 | |
| 156 | P | A | 0.0000 | |
| 157 | E | A | -0.2654 | |
| 158 | P | A | -0.7638 | |
| 159 | V | A | 0.0000 | |
| 160 | T | A | -0.6867 | |
| 161 | V | A | -0.4016 | |
| 162 | S | A | -0.4711 | |
| 163 | W | A | 0.0000 | |
| 164 | N | A | -0.8209 | |
| 165 | S | A | -0.6561 | |
| 166 | G | A | -0.4273 | |
| 167 | A | A | -0.2028 | |
| 168 | L | A | 0.0106 | |
| 169 | T | A | -0.2975 | |
| 170 | S | A | -0.3594 | |
| 171 | G | A | -0.4547 | |
| 172 | V | A | -0.0812 | |
| 173 | H | A | -0.4859 | |
| 174 | T | A | 0.2907 | |
| 175 | F | A | 1.3889 | |
| 176 | P | A | 0.9328 | |
| 177 | A | A | 1.3304 | |
| 178 | V | A | 2.4642 | |
| 179 | L | A | 2.1369 | |
| 180 | Q | A | 0.6653 | |
| 181 | S | A | 0.0711 | |
| 182 | S | A | -0.2639 | |
| 183 | G | A | 0.1787 | |
| 184 | L | A | 0.2411 | |
| 185 | Y | A | 0.7670 | |
| 186 | S | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | 0.7865 | |
| 189 | S | A | 0.0000 | |
| 190 | V | A | 0.4273 | |
| 191 | V | A | 0.0000 | |
| 192 | T | A | -0.2435 | |
| 193 | V | A | 0.0000 | |
| 194 | P | A | -0.5491 | |
| 195 | S | A | -0.6139 | |
| 196 | S | A | -0.6175 | |
| 197 | S | A | -0.6555 | |
| 198 | L | A | -0.8140 | |
| 199 | G | A | -1.0868 | |
| 200 | T | A | -0.8425 | |
| 201 | Q | A | -1.4295 | |
| 202 | T | A | -1.2590 | |
| 203 | Y | A | 0.0000 | |
| 204 | I | A | -1.4500 | |
| 205 | C | A | 0.0000 | |
| 206 | N | A | -1.5714 | |
| 207 | V | A | 0.0000 | |
| 208 | N | A | -1.9767 | |
| 209 | H | A | 0.0000 | |
| 210 | K | A | -2.7625 | |
| 211 | P | A | -1.5901 | |
| 212 | S | A | -1.8742 | |
| 213 | N | A | -2.6275 | |
| 214 | T | A | -2.1308 | |
| 215 | K | A | -2.7518 | |
| 216 | V | A | -1.7942 | |
| 217 | D | A | -2.7394 | |
| 218 | K | A | -2.2984 | |
| 219 | R | A | -2.5414 | |
| 220 | V | A | 0.0000 | |
| 221 | E | A | -2.9097 | |
| 222 | P | A | -1.9993 | |
| 223 | K | A | -2.4772 | |
| 224 | S | A | -1.8320 | |
| 225 | C | A | -1.3684 | |
| 226 | D | A | -2.7444 | |
| 227 | K | A | -2.6506 | |
| 228 | T | A | -1.7357 | |
| 229 | H | A | -1.4898 | |
| 230 | T | A | -0.5587 | |
| 231 | C | A | 0.3413 | |
| 232 | P | A | 0.0017 | |
| 233 | P | A | 0.1128 | |
| 234 | C | A | 0.5200 | |
| 235 | P | A | -0.2706 | |
| 236 | A | A | -0.3503 | |
| 237 | P | A | -0.4619 | |
| 238 | E | A | -1.0934 | |
| 239 | L | A | 0.7072 | |
| 240 | L | A | 1.3015 | |
| 241 | G | A | 0.1289 | |
| 242 | G | A | -0.3252 | |
| 243 | P | A | 0.0000 | |
| 244 | S | A | 0.1584 | |
| 245 | V | A | 0.0000 | |
| 246 | F | A | 1.4099 | |
| 247 | L | A | 1.0141 | |
| 248 | F | A | 1.2102 | |
| 249 | P | A | -0.2057 | |
| 250 | P | A | 0.0000 | |
| 251 | K | A | -2.0545 | |
| 252 | P | A | -1.4003 | |
| 253 | K | A | -1.1126 | |
| 254 | D | A | 0.0000 | |
| 255 | T | A | 0.0000 | |
| 256 | L | A | -0.2585 | |
| 257 | M | A | 0.4310 | |
| 258 | I | A | 1.4729 | |
| 259 | S | A | 0.1060 | |
| 260 | R | A | -1.0754 | |
| 261 | T | A | -0.6906 | |
| 262 | P | A | 0.0000 | |
| 263 | E | A | -1.0487 | |
| 264 | V | A | 0.0000 | |
| 265 | T | A | 0.0864 | |
| 266 | C | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 0.0000 | |
| 269 | V | A | -0.6401 | |
| 270 | D | A | -1.6010 | |
| 271 | V | A | 0.0000 | |
| 272 | S | A | -2.0041 | |
| 273 | H | A | -2.4604 | |
| 274 | E | A | -2.8840 | |
| 275 | D | A | -2.5557 | |
| 276 | P | A | -2.7168 | |
| 277 | E | A | -3.0980 | |
| 278 | V | A | -2.0333 | |
| 279 | K | A | -2.2534 | |
| 280 | F | A | -1.3627 | |
| 281 | N | A | -1.3515 | |
| 282 | W | A | 0.0000 | |
| 283 | Y | A | -1.0111 | |
| 284 | V | A | -1.1368 | |
| 285 | D | A | -2.2877 | |
| 286 | G | A | -1.0990 | |
| 287 | V | A | 0.1622 | |
| 288 | E | A | -1.4571 | |
| 289 | V | A | -1.1094 | |
| 290 | H | A | -2.0646 | |
| 291 | N | A | -2.2581 | |
| 292 | A | A | -1.8976 | |
| 293 | K | A | -2.4456 | |
| 294 | T | A | -2.0222 | |
| 295 | K | A | -2.4419 | |
| 296 | P | A | -2.5903 | |
| 297 | R | A | -3.9199 | |
| 298 | E | A | -4.0134 | |
| 299 | E | A | -3.4941 | |
| 300 | Q | A | -1.8526 | |
| 301 | Y | A | 0.2632 | |
| 302 | N | A | -0.8190 | |
| 303 | S | A | -1.0818 | |
| 304 | T | A | -1.8068 | |
| 305 | Y | A | 0.0000 | |
| 306 | R | A | -2.5785 | |
| 307 | V | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | S | A | 0.0000 | |
| 310 | V | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | T | A | -0.6416 | |
| 313 | V | A | 0.0000 | |
| 314 | L | A | 0.5480 | |
| 315 | H | A | -0.1713 | |
| 316 | Q | A | -1.2060 | |
| 317 | D | A | -1.6358 | |
| 318 | W | A | 0.0000 | |
| 319 | L | A | -0.9463 | |
| 320 | N | A | -2.1652 | |
| 321 | G | A | -2.2228 | |
| 322 | K | A | -2.3658 | |
| 323 | E | A | -2.5011 | |
| 324 | Y | A | 0.0000 | |
| 325 | K | A | -1.7007 | |
| 326 | C | A | 0.0000 | |
| 327 | K | A | -1.5655 | |
| 328 | V | A | 0.0000 | |
| 329 | S | A | -1.5059 | |
| 330 | N | A | 0.0000 | |
| 331 | K | A | -2.6073 | |
| 332 | A | A | -1.5423 | |
| 333 | L | A | 0.0000 | |
| 334 | P | A | -0.4166 | |
| 335 | A | A | -0.5059 | |
| 336 | P | A | -0.9661 | |
| 337 | I | A | -0.6006 | |
| 338 | E | A | -1.8433 | |
| 339 | K | A | -1.0685 | |
| 340 | T | A | -0.8394 | |
| 341 | I | A | -0.3220 | |
| 342 | S | A | -1.3306 | |
| 343 | K | A | -1.4601 | |
| 344 | A | A | -1.2600 | |
| 345 | K | A | -2.3855 | |
| 346 | G | A | -2.0920 | |
| 347 | Q | A | -2.3569 | |
| 348 | P | A | -2.2253 | |
| 349 | R | A | -2.8770 | |
| 350 | E | A | -3.1958 | |
| 351 | P | A | 0.0000 | |
| 352 | Q | A | -1.7835 | |
| 353 | V | A | 0.0000 | |
| 354 | Y | A | 0.3549 | |
| 355 | T | A | 0.3737 | |
| 356 | L | A | 0.7009 | |
| 357 | P | A | -0.0579 | |
| 358 | P | A | -0.9847 | |
| 359 | S | A | -1.7560 | |
| 360 | R | A | -3.1031 | |
| 361 | E | A | -3.2101 | |
| 362 | E | A | -2.8529 | |
| 363 | M | A | -2.5248 | |
| 364 | T | A | -2.3367 | |
| 365 | K | A | -3.5407 | |
| 366 | N | A | -3.2326 | |
| 367 | Q | A | -3.2207 | |
| 368 | V | A | 0.0000 | |
| 369 | S | A | -0.9641 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | -0.0532 | |
| 372 | C | A | 0.0000 | |
| 373 | L | A | 0.3189 | |
| 374 | V | A | 0.0000 | |
| 375 | K | A | -0.9966 | |
| 376 | G | A | -1.6504 | |
| 377 | F | A | 0.0000 | |
| 378 | Y | A | -1.3621 | |
| 379 | P | A | 0.0000 | |
| 380 | S | A | -0.1192 | |
| 381 | D | A | -1.4513 | |
| 382 | I | A | -0.7253 | |
| 383 | A | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | E | A | -1.5381 | |
| 386 | W | A | 0.0000 | |
| 387 | E | A | -1.8147 | |
| 388 | S | A | -1.3793 | |
| 389 | N | A | -1.8386 | |
| 390 | G | A | -1.7485 | |
| 391 | Q | A | -2.3048 | |
| 392 | P | A | -2.0755 | |
| 393 | E | A | -2.0951 | |
| 394 | N | A | -2.5694 | |
| 395 | N | A | -2.3698 | |
| 396 | Y | A | -2.1073 | |
| 397 | K | A | -2.4247 | |
| 398 | T | A | -1.1145 | |
| 399 | T | A | -0.3264 | |
| 400 | P | A | 0.0442 | |
| 401 | P | A | 0.6722 | |
| 402 | V | A | 1.7471 | |
| 403 | L | A | 1.3461 | |
| 404 | D | A | -0.5662 | |
| 405 | S | A | -1.1030 | |
| 406 | D | A | -2.0748 | |
| 407 | G | A | -0.9265 | |
| 408 | S | A | 0.0000 | |
| 409 | F | A | 0.2669 | |
| 410 | F | A | 0.5760 | |
| 411 | L | A | 0.0000 | |
| 412 | Y | A | 0.2063 | |
| 413 | S | A | 0.0000 | |
| 414 | K | A | -1.3927 | |
| 415 | L | A | 0.0000 | |
| 416 | T | A | -1.5960 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -3.0425 | |
| 419 | K | A | -3.0375 | |
| 420 | S | A | -2.3922 | |
| 421 | R | A | -2.2456 | |
| 422 | W | A | 0.0000 | |
| 423 | Q | A | -2.4032 | |
| 424 | Q | A | -2.1165 | |
| 425 | G | A | -1.1910 | |
| 426 | N | A | -0.9752 | |
| 427 | V | A | 0.3281 | |
| 428 | F | A | 0.0000 | |
| 429 | S | A | 0.0000 | |
| 430 | C | A | 0.0000 | |
| 431 | S | A | 0.0000 | |
| 432 | V | A | 0.0000 | |
| 433 | M | A | -0.4559 | |
| 434 | H | A | 0.0000 | |
| 435 | E | A | -1.2612 | |
| 436 | A | A | -1.7032 | |
| 437 | L | A | -1.5975 | |
| 438 | H | A | -1.7630 | |
| 439 | N | A | -1.6463 | |
| 440 | H | A | -1.1345 | |
| 441 | Y | A | -0.3545 | |
| 442 | T | A | -0.7119 | |
| 443 | Q | A | -0.9764 | |
| 444 | K | A | -1.0347 | |
| 445 | S | A | -0.2963 | |
| 446 | L | A | 0.0000 | |
| 447 | S | A | 0.0022 | |
| 448 | L | A | -0.1669 | |
| 449 | S | A | -0.6460 | |
| 450 | P | A | -1.0248 | |
| 451 | G | A | -1.3674 | |
| 452 | K | A | -2.0187 |
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