| Chain sequence(s) |
A: VDGPPASVVVRTAPEPVGRVSRLQILNASSDVLRITWVGVTGATAYRLAWGRSEGGPMRHQILPGNTDSAEIRGLEGGVSYSVRVTALVGDREGTPVSIVVTTPPEAPPALGTLHVVQRGEHSLRLRWEPVPRAQGFLLHWQPEGGQEQSRVLGPELSSYHLDGLEPATQYRVRLSVLGPAGEGPSAEVTARTESPRVPSIELRVVDTSIDSVTLAWTPVSRASSYILSWRPLRGPGQEVPGSPQTLPGISSSQRVTGLEPGVSYIFSLTPVLDGVRGPEASVTQTPVCPRGLADVVFLPHATQDNAHRAEATRRVLERLVLALGPLGPQAVQVGLLSYSHRPSPLFPLNGSHDLGIILQRIRDMPYMDPSGNNLGTAVVTAHRYMLAPDAPGRRQHVPGVMVLLVDEPLRGDIFSPIREAQASGLNVVMLGMAGADPEQLRRLAPGMDSVQTFFAVDDGPSLDQAVSGLATALCQASF
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 (00:03:16)
[INFO] Main: Simulation completed successfully. (00:03:19)
|
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 | V | A | 0.7596 | |
| 2 | D | A | -1.2438 | |
| 3 | G | A | -1.0889 | |
| 4 | P | A | -0.8729 | |
| 5 | P | A | -0.5354 | |
| 6 | A | A | 0.3926 | |
| 7 | S | A | 1.2869 | |
| 8 | V | A | 2.8009 | |
| 9 | V | A | 2.9192 | |
| 10 | V | A | 2.2175 | |
| 11 | R | A | -0.2881 | |
| 12 | T | A | -0.5170 | |
| 13 | A | A | -0.8203 | |
| 14 | P | A | -1.4194 | |
| 15 | E | A | -2.0523 | |
| 16 | P | A | -1.6555 | |
| 17 | V | A | -1.5362 | |
| 18 | G | A | -1.6352 | |
| 19 | R | A | -1.9804 | |
| 20 | V | A | 0.0000 | |
| 21 | S | A | -0.9383 | |
| 22 | R | A | -1.5848 | |
| 23 | L | A | 0.0000 | |
| 24 | Q | A | -0.7085 | |
| 25 | I | A | 0.2009 | |
| 26 | L | A | 0.3070 | |
| 27 | N | A | -1.0322 | |
| 28 | A | A | -0.8082 | |
| 29 | S | A | -1.7027 | |
| 30 | S | A | -2.1751 | |
| 31 | D | A | -2.9358 | |
| 32 | V | A | -2.1541 | |
| 33 | L | A | 0.0000 | |
| 34 | R | A | -1.6888 | |
| 35 | I | A | 0.0000 | |
| 36 | T | A | -0.9146 | |
| 37 | W | A | 0.0000 | |
| 38 | V | A | 0.1919 | |
| 39 | G | A | -0.8194 | |
| 40 | V | A | -0.5478 | |
| 41 | T | A | -0.4112 | |
| 42 | G | A | -0.6444 | |
| 43 | A | A | -0.9673 | |
| 44 | T | A | -0.7617 | |
| 45 | A | A | -0.5413 | |
| 46 | Y | A | 0.0000 | |
| 47 | R | A | -0.6884 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | W | A | -0.9328 | |
| 51 | G | A | 0.0000 | |
| 52 | R | A | -2.6530 | |
| 53 | S | A | -1.4489 | |
| 54 | E | A | -2.6439 | |
| 55 | G | A | -1.9384 | |
| 56 | G | A | -1.5982 | |
| 57 | P | A | -0.9722 | |
| 58 | M | A | -0.9313 | |
| 59 | R | A | -2.0170 | |
| 60 | H | A | -1.6257 | |
| 61 | Q | A | -0.4807 | |
| 62 | I | A | 1.0550 | |
| 63 | L | A | 0.0531 | |
| 64 | P | A | -0.5658 | |
| 65 | G | A | -1.0146 | |
| 66 | N | A | -1.9221 | |
| 67 | T | A | -1.4466 | |
| 68 | D | A | -1.7810 | |
| 69 | S | A | -1.1130 | |
| 70 | A | A | 0.0000 | |
| 71 | E | A | -1.4483 | |
| 72 | I | A | 0.0000 | |
| 73 | R | A | -2.8741 | |
| 74 | G | A | -2.1966 | |
| 75 | L | A | 0.0000 | |
| 76 | E | A | -3.1897 | |
| 77 | G | A | -2.3064 | |
| 78 | G | A | -1.3567 | |
| 79 | V | A | -1.3727 | |
| 80 | S | A | -0.6911 | |
| 81 | Y | A | 0.0000 | |
| 82 | S | A | -0.1851 | |
| 83 | V | A | 0.0000 | |
| 84 | R | A | -0.8006 | |
| 85 | V | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | V | A | -1.1180 | |
| 90 | G | A | -1.6699 | |
| 91 | D | A | -2.6176 | |
| 92 | R | A | -2.5516 | |
| 93 | E | A | -2.7569 | |
| 94 | G | A | -1.6404 | |
| 95 | T | A | -1.1687 | |
| 96 | P | A | -1.1889 | |
| 97 | V | A | -0.7888 | |
| 98 | S | A | -0.0284 | |
| 99 | I | A | 0.9223 | |
| 100 | V | A | 1.5606 | |
| 101 | V | A | 0.8464 | |
| 102 | T | A | -0.1042 | |
| 103 | T | A | 0.0000 | |
| 104 | P | A | -1.1653 | |
| 105 | P | A | -1.7698 | |
| 106 | E | A | -2.5847 | |
| 107 | A | A | -1.2707 | |
| 108 | P | A | 0.0000 | |
| 109 | P | A | -0.9007 | |
| 110 | A | A | -0.4040 | |
| 111 | L | A | 0.0000 | |
| 112 | G | A | -1.1348 | |
| 113 | T | A | -1.3127 | |
| 114 | L | A | 0.0000 | |
| 115 | H | A | -2.0014 | |
| 116 | V | A | -1.6187 | |
| 117 | V | A | -1.4134 | |
| 118 | Q | A | -2.7015 | |
| 119 | R | A | -3.3699 | |
| 120 | G | A | -2.8246 | |
| 121 | E | A | -2.8187 | |
| 122 | H | A | -2.6075 | |
| 123 | S | A | -3.1132 | |
| 124 | L | A | 0.0000 | |
| 125 | R | A | -2.8096 | |
| 126 | L | A | 0.0000 | |
| 127 | R | A | -2.7619 | |
| 128 | W | A | 0.0000 | |
| 129 | E | A | -2.1217 | |
| 130 | P | A | -1.6846 | |
| 131 | V | A | -1.2983 | |
| 132 | P | A | -1.6494 | |
| 133 | R | A | -2.4874 | |
| 134 | A | A | -1.8577 | |
| 135 | Q | A | -2.1441 | |
| 136 | G | A | 0.0000 | |
| 137 | F | A | 0.0000 | |
| 138 | L | A | 0.0087 | |
| 139 | L | A | 0.0000 | |
| 140 | H | A | -1.5542 | |
| 141 | W | A | 0.0000 | |
| 142 | Q | A | -2.6863 | |
| 143 | P | A | -2.9362 | |
| 144 | E | A | -3.1708 | |
| 145 | G | A | -1.9290 | |
| 146 | G | A | -1.9645 | |
| 147 | Q | A | -2.3582 | |
| 148 | E | A | -2.5034 | |
| 149 | Q | A | -2.2596 | |
| 150 | S | A | -1.4194 | |
| 151 | R | A | -1.0863 | |
| 152 | V | A | 0.9824 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.4433 | |
| 155 | P | A | -1.4856 | |
| 156 | E | A | -2.1584 | |
| 157 | L | A | -1.0272 | |
| 158 | S | A | -1.3231 | |
| 159 | S | A | -1.5844 | |
| 160 | Y | A | -1.1159 | |
| 161 | H | A | -2.3471 | |
| 162 | L | A | 0.0000 | |
| 163 | D | A | -2.8954 | |
| 164 | G | A | -2.1086 | |
| 165 | L | A | 0.0000 | |
| 166 | E | A | -2.8827 | |
| 167 | P | A | -2.2409 | |
| 168 | A | A | -1.7496 | |
| 169 | T | A | -2.1440 | |
| 170 | Q | A | -2.8873 | |
| 171 | Y | A | 0.0000 | |
| 172 | R | A | -2.8817 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | -1.7301 | |
| 175 | L | A | 0.0000 | |
| 176 | S | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | L | A | -0.8585 | |
| 179 | G | A | -1.5929 | |
| 180 | P | A | -1.4213 | |
| 181 | A | A | -1.1007 | |
| 182 | G | A | -1.3138 | |
| 183 | E | A | -1.7213 | |
| 184 | G | A | -1.1146 | |
| 185 | P | A | -0.9248 | |
| 186 | S | A | -1.1187 | |
| 187 | A | A | -1.2121 | |
| 188 | E | A | -2.2106 | |
| 189 | V | A | -1.1942 | |
| 190 | T | A | -1.5562 | |
| 191 | A | A | -1.8748 | |
| 192 | R | A | -3.1959 | |
| 193 | T | A | 0.0000 | |
| 194 | E | A | -2.6738 | |
| 195 | S | A | -1.7729 | |
| 196 | P | A | -1.9130 | |
| 197 | R | A | -2.2335 | |
| 198 | V | A | -1.6610 | |
| 199 | P | A | -0.9385 | |
| 200 | S | A | -1.2740 | |
| 201 | I | A | 0.0000 | |
| 202 | E | A | -2.5503 | |
| 203 | L | A | 0.0000 | |
| 204 | R | A | -2.0101 | |
| 205 | V | A | -0.6880 | |
| 206 | V | A | 0.0823 | |
| 207 | D | A | -1.4684 | |
| 208 | T | A | -0.8252 | |
| 209 | S | A | -0.7332 | |
| 210 | I | A | -0.5507 | |
| 211 | D | A | -1.0043 | |
| 212 | S | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | T | A | -1.3721 | |
| 215 | L | A | 0.0000 | |
| 216 | A | A | -1.0926 | |
| 217 | W | A | 0.0000 | |
| 218 | T | A | -0.6192 | |
| 219 | P | A | -0.2820 | |
| 220 | V | A | 0.0000 | |
| 221 | S | A | -0.8902 | |
| 222 | R | A | -1.9861 | |
| 223 | A | A | -1.3022 | |
| 224 | S | A | -0.9571 | |
| 225 | S | A | -0.5674 | |
| 226 | Y | A | 0.0000 | |
| 227 | I | A | -0.4496 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.4692 | |
| 230 | W | A | -0.1545 | |
| 231 | R | A | -0.8181 | |
| 232 | P | A | -0.6225 | |
| 233 | L | A | -0.2137 | |
| 234 | R | A | -1.5375 | |
| 235 | G | A | -1.4442 | |
| 236 | P | A | -1.3893 | |
| 237 | G | A | -1.6062 | |
| 238 | Q | A | -2.0302 | |
| 239 | E | A | -1.7957 | |
| 240 | V | A | 0.1949 | |
| 241 | P | A | -0.4516 | |
| 242 | G | A | -0.4863 | |
| 243 | S | A | -0.5398 | |
| 244 | P | A | -0.8151 | |
| 245 | Q | A | -0.8855 | |
| 246 | T | A | -0.4565 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | 0.3096 | |
| 249 | G | A | 0.2639 | |
| 250 | I | A | 1.4705 | |
| 251 | S | A | 0.6403 | |
| 252 | S | A | 0.1159 | |
| 253 | S | A | -0.5549 | |
| 254 | Q | A | -1.1812 | |
| 255 | R | A | -2.1335 | |
| 256 | V | A | 0.0000 | |
| 257 | T | A | -1.0879 | |
| 258 | G | A | -0.8836 | |
| 259 | L | A | 0.0000 | |
| 260 | E | A | -1.2275 | |
| 261 | P | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | S | A | -0.0988 | |
| 265 | Y | A | 0.0000 | |
| 266 | I | A | 0.3198 | |
| 267 | F | A | 0.0000 | |
| 268 | S | A | -0.4642 | |
| 269 | L | A | 0.0000 | |
| 270 | T | A | 0.0000 | |
| 271 | P | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | D | A | -2.4864 | |
| 275 | G | A | -1.6351 | |
| 276 | V | A | -1.5690 | |
| 277 | R | A | -2.5081 | |
| 278 | G | A | -1.8053 | |
| 279 | P | A | -1.7463 | |
| 280 | E | A | -2.4415 | |
| 281 | A | A | -1.6958 | |
| 282 | S | A | -0.9832 | |
| 283 | V | A | -0.3918 | |
| 284 | T | A | -0.0967 | |
| 285 | Q | A | -0.1838 | |
| 286 | T | A | -0.0462 | |
| 287 | P | A | 0.0000 | |
| 288 | V | A | -0.1267 | |
| 289 | C | A | 0.0000 | |
| 290 | P | A | -1.0753 | |
| 291 | R | A | -1.6211 | |
| 292 | G | A | 0.0000 | |
| 293 | L | A | 0.3867 | |
| 294 | A | A | 0.0000 | |
| 295 | D | A | 0.0000 | |
| 296 | V | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | F | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | P | A | 0.0000 | |
| 301 | H | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | Q | A | -2.0602 | |
| 305 | D | A | -2.5940 | |
| 306 | N | A | 0.0000 | |
| 307 | A | A | -1.6100 | |
| 308 | H | A | -1.9523 | |
| 309 | R | A | -1.7547 | |
| 310 | A | A | 0.0000 | |
| 311 | E | A | -3.0549 | |
| 312 | A | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | R | A | -2.7118 | |
| 315 | R | A | -2.8216 | |
| 316 | V | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | E | A | -1.2201 | |
| 319 | R | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | L | A | 0.4842 | |
| 323 | A | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | G | A | -0.0954 | |
| 326 | P | A | -0.6568 | |
| 327 | L | A | -0.5756 | |
| 328 | G | A | 0.0000 | |
| 329 | P | A | -1.1290 | |
| 330 | Q | A | -1.3822 | |
| 331 | A | A | -0.8889 | |
| 332 | V | A | 0.0000 | |
| 333 | Q | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | G | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | L | A | 0.0000 | |
| 338 | S | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | S | A | 0.0000 | |
| 341 | H | A | -2.1692 | |
| 342 | R | A | -2.5625 | |
| 343 | P | A | 0.0000 | |
| 344 | S | A | -0.7283 | |
| 345 | P | A | -0.0886 | |
| 346 | L | A | -0.4446 | |
| 347 | F | A | 0.0000 | |
| 348 | P | A | -0.6500 | |
| 349 | L | A | 0.0000 | |
| 350 | N | A | -1.8008 | |
| 351 | G | A | -1.2427 | |
| 352 | S | A | -0.9505 | |
| 353 | H | A | -1.4227 | |
| 354 | D | A | -0.7420 | |
| 355 | L | A | 0.0526 | |
| 356 | G | A | 0.0166 | |
| 357 | I | A | 0.6522 | |
| 358 | I | A | 0.0000 | |
| 359 | L | A | -1.1298 | |
| 360 | Q | A | -1.9527 | |
| 361 | R | A | -2.3311 | |
| 362 | I | A | 0.0000 | |
| 363 | R | A | -3.7118 | |
| 364 | D | A | -3.3191 | |
| 365 | M | A | 0.0000 | |
| 366 | P | A | -0.7582 | |
| 367 | Y | A | -0.5812 | |
| 368 | M | A | 0.1591 | |
| 369 | D | A | -1.0797 | |
| 370 | P | A | -1.3620 | |
| 371 | S | A | -1.6006 | |
| 372 | G | A | -1.8907 | |
| 373 | N | A | -1.7870 | |
| 374 | N | A | -2.1597 | |
| 375 | L | A | 0.0000 | |
| 376 | G | A | -0.8991 | |
| 377 | T | A | -0.5968 | |
| 378 | A | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | V | A | 0.5808 | |
| 381 | T | A | 0.1370 | |
| 382 | A | A | 0.0000 | |
| 383 | H | A | -0.3951 | |
| 384 | R | A | -0.8853 | |
| 385 | Y | A | 0.2919 | |
| 386 | M | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | A | A | -1.1809 | |
| 389 | P | A | -1.7515 | |
| 390 | D | A | -2.2492 | |
| 391 | A | A | 0.0000 | |
| 392 | P | A | -0.9762 | |
| 393 | G | A | -1.4631 | |
| 394 | R | A | -1.4325 | |
| 395 | R | A | -1.8001 | |
| 396 | Q | A | -2.1218 | |
| 397 | H | A | -1.6177 | |
| 398 | V | A | -0.5900 | |
| 399 | P | A | -0.2379 | |
| 400 | G | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | M | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | L | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | D | A | 0.0000 | |
| 408 | E | A | -1.2091 | |
| 409 | P | A | -1.4381 | |
| 410 | L | A | 0.0000 | |
| 411 | R | A | -2.7883 | |
| 412 | G | A | -2.2519 | |
| 413 | D | A | -2.2949 | |
| 414 | I | A | 0.0000 | |
| 415 | F | A | -0.7272 | |
| 416 | S | A | -1.2323 | |
| 417 | P | A | -1.1081 | |
| 418 | I | A | 0.0000 | |
| 419 | R | A | -2.9713 | |
| 420 | E | A | -2.6509 | |
| 421 | A | A | 0.0000 | |
| 422 | Q | A | -2.1921 | |
| 423 | A | A | -1.7527 | |
| 424 | S | A | -1.3133 | |
| 425 | G | A | -1.2061 | |
| 426 | L | A | 0.0000 | |
| 427 | N | A | -1.2240 | |
| 428 | V | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | M | A | 0.0000 | |
| 431 | L | A | 0.0000 | |
| 432 | G | A | 0.0000 | |
| 433 | M | A | 0.0000 | |
| 434 | A | A | -0.3303 | |
| 435 | G | A | -0.7942 | |
| 436 | A | A | 0.0000 | |
| 437 | D | A | -1.5667 | |
| 438 | P | A | -1.8979 | |
| 439 | E | A | -3.3576 | |
| 440 | Q | A | -2.8578 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | -3.6252 | |
| 443 | R | A | -3.2593 | |
| 444 | L | A | -1.7605 | |
| 445 | A | A | -1.7994 | |
| 446 | P | A | -1.2873 | |
| 447 | G | A | -0.6695 | |
| 448 | M | A | -0.1087 | |
| 449 | D | A | -2.0553 | |
| 450 | S | A | -1.8629 | |
| 451 | V | A | 0.0000 | |
| 452 | Q | A | -1.6655 | |
| 453 | T | A | -0.6679 | |
| 454 | F | A | -0.0696 | |
| 455 | F | A | 0.6142 | |
| 456 | A | A | 0.0000 | |
| 457 | V | A | 1.0673 | |
| 458 | D | A | -0.6779 | |
| 459 | D | A | -1.6207 | |
| 460 | G | A | -1.0859 | |
| 461 | P | A | -0.9986 | |
| 462 | S | A | -0.6603 | |
| 463 | L | A | 0.0000 | |
| 464 | D | A | -1.7869 | |
| 465 | Q | A | -1.5290 | |
| 466 | A | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | S | A | 0.0000 | |
| 469 | G | A | -0.4216 | |
| 470 | L | A | 0.0000 | |
| 471 | A | A | 0.0000 | |
| 472 | T | A | -0.4681 | |
| 473 | A | A | -0.6062 | |
| 474 | L | A | 0.0000 | |
| 475 | C | A | 0.0000 | |
| 476 | Q | A | -0.7978 | |
| 477 | A | A | -0.0280 | |
| 478 | S | A | 0.0000 | |
| 479 | F | A | 1.4277 |
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