| Chain sequence(s) |
A: SELVFSGQETRTERNRPFEIKDGAYRIYSPGLLWGHRQIGVGYGAKGVLHTMWHVTRGAALVVDEAISGPYWADVREDVVCYGGAWSLESRWRGETVQVHAFPPGRPQETHQCQPGELILENGRKLGAVPIDLSKGTSGSPIINAQGEVVGLYGNGLKTNEAYVSSIAQGEAEKSRPEIPLSVQGTGWMSKGQITVLDMHPGSGKTHRVLPELVRQCADRGMRTLVLAPTRVVLKEMERALAGKKVRFHSPAVEGQTTAGAIVDVMCHATYVHRRLLPQGRQNWEVAIMDEAHWTDPHSIAARGHLYSLAKENRCALVLMTATPPGRGDPFPESNGAIMSEERAIPDGEWREGFDWITEYEGRTAWFVPSISKGGAVARTLRQRGKSVICLNSKTFEKDYLRVREEKPDFVVTTDISEMGANLDVSRVIDGRTNIKPEEVDGKVELTGTRKVTTASAAQRRGRVGRTSGRTDEYIYSGQCDDDDTSLVQW
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 (00:06:34)
[INFO] Main: Simulation completed successfully. (00:06:37)
|
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 | S | A | -0.9659 | |
| 2 | E | A | -1.6679 | |
| 3 | L | A | -0.1439 | |
| 4 | V | A | 1.3706 | |
| 5 | F | A | 1.4852 | |
| 6 | S | A | 0.0403 | |
| 7 | G | A | -1.3916 | |
| 8 | Q | A | -2.7990 | |
| 9 | E | A | -3.2963 | |
| 10 | T | A | -2.8907 | |
| 11 | R | A | -3.4381 | |
| 12 | T | A | -3.4279 | |
| 13 | E | A | -3.8558 | |
| 14 | R | A | -4.3191 | |
| 15 | N | A | -4.0053 | |
| 16 | R | A | -3.9289 | |
| 17 | P | A | -2.3690 | |
| 18 | F | A | -1.5807 | |
| 19 | E | A | -3.1496 | |
| 20 | I | A | 0.0000 | |
| 21 | K | A | -3.3686 | |
| 22 | D | A | -3.2446 | |
| 23 | G | A | -1.4890 | |
| 24 | A | A | -0.6154 | |
| 25 | Y | A | -0.1953 | |
| 26 | R | A | -0.1662 | |
| 27 | I | A | 0.0000 | |
| 28 | Y | A | 0.3285 | |
| 29 | S | A | -0.3130 | |
| 30 | P | A | -0.1686 | |
| 31 | G | A | 0.4632 | |
| 32 | L | A | 2.0438 | |
| 33 | L | A | 2.5534 | |
| 34 | W | A | 1.5814 | |
| 35 | G | A | -0.2361 | |
| 36 | H | A | -1.2787 | |
| 37 | R | A | -1.8761 | |
| 38 | Q | A | 0.0000 | |
| 39 | I | A | -0.2829 | |
| 40 | G | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | Y | A | -0.4094 | |
| 44 | G | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | K | A | -2.8181 | |
| 47 | G | A | -2.5411 | |
| 48 | V | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | H | A | 0.0000 | |
| 51 | T | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | W | A | -0.8229 | |
| 54 | H | A | -0.8210 | |
| 55 | V | A | 0.0000 | |
| 56 | T | A | 0.0000 | |
| 57 | R | A | -1.8550 | |
| 58 | G | A | -0.7747 | |
| 59 | A | A | -0.3522 | |
| 60 | A | A | -0.0466 | |
| 61 | L | A | 1.1085 | |
| 62 | V | A | 1.3622 | |
| 63 | V | A | -0.4792 | |
| 64 | D | A | -2.5354 | |
| 65 | E | A | -2.9290 | |
| 66 | A | A | 0.0000 | |
| 67 | I | A | -0.9618 | |
| 68 | S | A | -0.4042 | |
| 69 | G | A | -0.5494 | |
| 70 | P | A | -0.1841 | |
| 71 | Y | A | 0.4628 | |
| 72 | W | A | 0.0000 | |
| 73 | A | A | 0.0000 | |
| 74 | D | A | 0.0000 | |
| 75 | V | A | -0.9331 | |
| 76 | R | A | -1.9968 | |
| 77 | E | A | -1.5723 | |
| 78 | D | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | C | A | 0.0000 | |
| 82 | Y | A | 0.0000 | |
| 83 | G | A | -1.0289 | |
| 84 | G | A | -0.5090 | |
| 85 | A | A | -0.9345 | |
| 86 | W | A | 0.0000 | |
| 87 | S | A | -1.4683 | |
| 88 | L | A | 0.0000 | |
| 89 | E | A | -2.8815 | |
| 90 | S | A | -2.2465 | |
| 91 | R | A | -2.9700 | |
| 92 | W | A | 0.0000 | |
| 93 | R | A | -2.5162 | |
| 94 | G | A | -2.0477 | |
| 95 | E | A | -1.3231 | |
| 96 | T | A | -1.2673 | |
| 97 | V | A | 0.0000 | |
| 98 | Q | A | -1.2980 | |
| 99 | V | A | 0.0000 | |
| 100 | H | A | -0.8899 | |
| 101 | A | A | 0.0000 | |
| 102 | F | A | -0.7495 | |
| 103 | P | A | 0.0000 | |
| 104 | P | A | -1.1240 | |
| 105 | G | A | -1.2220 | |
| 106 | R | A | -1.5296 | |
| 107 | P | A | -1.3742 | |
| 108 | Q | A | -1.6639 | |
| 109 | E | A | -1.7258 | |
| 110 | T | A | -1.3059 | |
| 111 | H | A | -1.2751 | |
| 112 | Q | A | -1.6780 | |
| 113 | C | A | -1.3254 | |
| 114 | Q | A | -1.6861 | |
| 115 | P | A | 0.0000 | |
| 116 | G | A | -1.3236 | |
| 117 | E | A | -1.6473 | |
| 118 | L | A | -0.2334 | |
| 119 | I | A | 0.4189 | |
| 120 | L | A | -0.7143 | |
| 121 | E | A | -2.1478 | |
| 122 | N | A | -2.2504 | |
| 123 | G | A | -1.4534 | |
| 124 | R | A | -1.7105 | |
| 125 | K | A | -1.5910 | |
| 126 | L | A | -0.8268 | |
| 127 | G | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | P | A | -0.5746 | |
| 131 | I | A | -0.7517 | |
| 132 | D | A | -1.9609 | |
| 133 | L | A | -1.1676 | |
| 134 | S | A | -1.2392 | |
| 135 | K | A | -1.8770 | |
| 136 | G | A | -0.8948 | |
| 137 | T | A | 0.0000 | |
| 138 | S | A | -0.4997 | |
| 139 | G | A | 0.0000 | |
| 140 | S | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | I | A | 0.0000 | |
| 143 | I | A | -0.9642 | |
| 144 | N | A | 0.0000 | |
| 145 | A | A | -0.9565 | |
| 146 | Q | A | -1.7065 | |
| 147 | G | A | -1.5521 | |
| 148 | E | A | -2.1287 | |
| 149 | V | A | 0.0000 | |
| 150 | V | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | Y | A | 0.0000 | |
| 154 | G | A | -0.7049 | |
| 155 | N | A | -0.5825 | |
| 156 | G | A | -0.4127 | |
| 157 | L | A | 0.1229 | |
| 158 | K | A | -1.8555 | |
| 159 | T | A | -1.6953 | |
| 160 | N | A | -2.4123 | |
| 161 | E | A | -2.6672 | |
| 162 | A | A | -1.6757 | |
| 163 | Y | A | -1.1852 | |
| 164 | V | A | -0.4651 | |
| 165 | S | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | I | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | Q | A | -1.1608 | |
| 170 | G | A | 0.0000 | |
| 171 | E | A | -3.0652 | |
| 172 | A | A | -2.5081 | |
| 173 | E | A | -3.4535 | |
| 174 | K | A | -2.8365 | |
| 175 | S | A | 0.0000 | |
| 176 | R | A | -2.1695 | |
| 177 | P | A | -1.8960 | |
| 178 | E | A | -2.5118 | |
| 179 | I | A | 0.0000 | |
| 180 | P | A | -0.1828 | |
| 181 | L | A | 0.8263 | |
| 182 | S | A | 0.1240 | |
| 183 | V | A | 0.0000 | |
| 184 | Q | A | -0.8854 | |
| 185 | G | A | -0.8430 | |
| 186 | T | A | -0.7891 | |
| 187 | G | A | -1.0889 | |
| 188 | W | A | 0.0000 | |
| 189 | M | A | 0.0000 | |
| 190 | S | A | -1.5357 | |
| 191 | K | A | -3.1497 | |
| 192 | G | A | -2.8254 | |
| 193 | Q | A | -1.4741 | |
| 194 | I | A | 0.0566 | |
| 195 | T | A | 0.0000 | |
| 196 | V | A | 0.5501 | |
| 197 | L | A | 0.0000 | |
| 198 | D | A | -1.4273 | |
| 199 | M | A | -1.0292 | |
| 200 | H | A | -1.3381 | |
| 201 | P | A | -1.0797 | |
| 202 | G | A | -1.2060 | |
| 203 | S | A | -1.1293 | |
| 204 | G | A | -1.1501 | |
| 205 | K | A | -1.2179 | |
| 206 | T | A | -1.3497 | |
| 207 | H | A | -2.4123 | |
| 208 | R | A | -2.4097 | |
| 209 | V | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | P | A | -0.9403 | |
| 212 | E | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | R | A | -1.7104 | |
| 216 | Q | A | -1.5627 | |
| 217 | C | A | 0.0000 | |
| 218 | A | A | -2.2829 | |
| 219 | D | A | -2.9747 | |
| 220 | R | A | -3.1381 | |
| 221 | G | A | -2.1450 | |
| 222 | M | A | -1.6003 | |
| 223 | R | A | -1.7628 | |
| 224 | T | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | P | A | 0.0000 | |
| 230 | T | A | -0.2954 | |
| 231 | R | A | -1.0288 | |
| 232 | V | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | L | A | 0.0000 | |
| 235 | K | A | -1.6289 | |
| 236 | E | A | -1.7136 | |
| 237 | M | A | 0.0000 | |
| 238 | E | A | -1.9859 | |
| 239 | R | A | -2.8774 | |
| 240 | A | A | -2.1286 | |
| 241 | L | A | 0.0000 | |
| 242 | A | A | -1.6631 | |
| 243 | G | A | -1.9479 | |
| 244 | K | A | -1.7101 | |
| 245 | K | A | -2.2018 | |
| 246 | V | A | 0.0000 | |
| 247 | R | A | -1.2917 | |
| 248 | F | A | 0.0000 | |
| 249 | H | A | -0.4903 | |
| 250 | S | A | 0.0000 | |
| 251 | P | A | -0.8808 | |
| 252 | A | A | -1.1520 | |
| 253 | V | A | 0.0000 | |
| 254 | E | A | -2.5152 | |
| 255 | G | A | -1.9091 | |
| 256 | Q | A | -1.6641 | |
| 257 | T | A | -1.2188 | |
| 258 | T | A | -1.0506 | |
| 259 | A | A | -0.5868 | |
| 260 | G | A | -0.7627 | |
| 261 | A | A | -1.0690 | |
| 262 | I | A | -0.5605 | |
| 263 | V | A | 0.0000 | |
| 264 | D | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | M | A | 0.0000 | |
| 267 | C | A | -0.1029 | |
| 268 | H | A | 0.0000 | |
| 269 | A | A | -0.5512 | |
| 270 | T | A | -0.7128 | |
| 271 | Y | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | H | A | -0.8997 | |
| 274 | R | A | -1.8189 | |
| 275 | R | A | -1.5917 | |
| 276 | L | A | 0.5822 | |
| 277 | L | A | -0.1442 | |
| 278 | P | A | -0.8386 | |
| 279 | Q | A | -1.9937 | |
| 280 | G | A | -2.4436 | |
| 281 | R | A | -3.2967 | |
| 282 | Q | A | -2.7248 | |
| 283 | N | A | -2.6571 | |
| 284 | W | A | -1.7071 | |
| 285 | E | A | -2.0143 | |
| 286 | V | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | I | A | 0.0000 | |
| 289 | M | A | 0.0000 | |
| 290 | D | A | 0.0000 | |
| 291 | E | A | -0.1371 | |
| 292 | A | A | 0.0000 | |
| 293 | H | A | 0.0000 | |
| 294 | W | A | 0.0961 | |
| 295 | T | A | 0.0803 | |
| 296 | D | A | -0.1426 | |
| 297 | P | A | 0.0212 | |
| 298 | H | A | -0.4934 | |
| 299 | S | A | 0.0000 | |
| 300 | I | A | 0.0873 | |
| 301 | A | A | -0.1175 | |
| 302 | A | A | 0.0000 | |
| 303 | R | A | -0.2997 | |
| 304 | G | A | -0.3880 | |
| 305 | H | A | -0.5325 | |
| 306 | L | A | 0.0000 | |
| 307 | Y | A | -0.6761 | |
| 308 | S | A | -1.3933 | |
| 309 | L | A | -1.9602 | |
| 310 | A | A | 0.0000 | |
| 311 | K | A | -3.3498 | |
| 312 | E | A | -3.8579 | |
| 313 | N | A | -4.1391 | |
| 314 | R | A | -3.9360 | |
| 315 | C | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | M | A | 0.0000 | |
| 321 | T | A | 0.0000 | |
| 322 | A | A | -0.9061 | |
| 323 | T | A | 0.0000 | |
| 324 | P | A | -1.2739 | |
| 325 | P | A | -1.1098 | |
| 326 | G | A | -1.9774 | |
| 327 | R | A | -2.8342 | |
| 328 | G | A | -2.5640 | |
| 329 | D | A | -2.4887 | |
| 330 | P | A | -1.1384 | |
| 331 | F | A | -0.2557 | |
| 332 | P | A | -1.1359 | |
| 333 | E | A | -2.1111 | |
| 334 | S | A | -1.4733 | |
| 335 | N | A | -1.7398 | |
| 336 | G | A | 0.0000 | |
| 337 | A | A | -0.6653 | |
| 338 | I | A | -0.1436 | |
| 339 | M | A | 0.3104 | |
| 340 | S | A | -0.4197 | |
| 341 | E | A | -1.4687 | |
| 342 | E | A | -2.5210 | |
| 343 | R | A | -1.6488 | |
| 344 | A | A | -0.8402 | |
| 345 | I | A | -0.5691 | |
| 346 | P | A | 0.0000 | |
| 347 | D | A | -2.2724 | |
| 348 | G | A | -2.1824 | |
| 349 | E | A | -2.9645 | |
| 350 | W | A | -2.3826 | |
| 351 | R | A | -3.2886 | |
| 352 | E | A | -3.1731 | |
| 353 | G | A | -1.9759 | |
| 354 | F | A | -1.6515 | |
| 355 | D | A | -2.7431 | |
| 356 | W | A | -1.4006 | |
| 357 | I | A | 0.0000 | |
| 358 | T | A | -1.9118 | |
| 359 | E | A | -2.6048 | |
| 360 | Y | A | -1.9286 | |
| 361 | E | A | -2.4132 | |
| 362 | G | A | -1.4872 | |
| 363 | R | A | -1.5203 | |
| 364 | T | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | P | A | -0.4878 | |
| 370 | S | A | 0.2065 | |
| 371 | I | A | 0.6537 | |
| 372 | S | A | 0.0096 | |
| 373 | K | A | -1.0951 | |
| 374 | G | A | 0.0000 | |
| 375 | G | A | -0.7190 | |
| 376 | A | A | -1.5819 | |
| 377 | V | A | 0.0000 | |
| 378 | A | A | 0.0000 | |
| 379 | R | A | -3.2123 | |
| 380 | T | A | -2.8902 | |
| 381 | L | A | 0.0000 | |
| 382 | R | A | -3.4631 | |
| 383 | Q | A | -3.0393 | |
| 384 | R | A | -2.3855 | |
| 385 | G | A | -2.0383 | |
| 386 | K | A | -2.1125 | |
| 387 | S | A | -1.8274 | |
| 388 | V | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | C | A | 0.2597 | |
| 391 | L | A | 0.0000 | |
| 392 | N | A | 0.0000 | |
| 393 | S | A | -1.1226 | |
| 394 | K | A | -2.2462 | |
| 395 | T | A | -1.9768 | |
| 396 | F | A | 0.0000 | |
| 397 | E | A | -2.9152 | |
| 398 | K | A | -2.7791 | |
| 399 | D | A | -1.9445 | |
| 400 | Y | A | 0.0000 | |
| 401 | L | A | -1.0659 | |
| 402 | R | A | -2.7680 | |
| 403 | V | A | 0.0000 | |
| 404 | R | A | -2.9373 | |
| 405 | E | A | -3.6532 | |
| 406 | E | A | -3.9742 | |
| 407 | K | A | -3.8545 | |
| 408 | P | A | 0.0000 | |
| 409 | D | A | -1.9408 | |
| 410 | F | A | 0.0000 | |
| 411 | V | A | 0.0000 | |
| 412 | V | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | T | A | 0.0872 | |
| 415 | D | A | -0.3102 | |
| 416 | I | A | 0.0642 | |
| 417 | S | A | 0.0000 | |
| 418 | E | A | 0.0000 | |
| 419 | M | A | 0.0000 | |
| 420 | G | A | -0.3734 | |
| 421 | A | A | 0.0000 | |
| 422 | N | A | -1.0590 | |
| 423 | L | A | 0.0000 | |
| 424 | D | A | -1.9348 | |
| 425 | V | A | 0.0000 | |
| 426 | S | A | -0.8771 | |
| 427 | R | A | 0.0000 | |
| 428 | V | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | D | A | 0.0000 | |
| 431 | G | A | -1.0655 | |
| 432 | R | A | 0.0000 | |
| 433 | T | A | -1.1901 | |
| 434 | N | A | 0.0000 | |
| 435 | I | A | 0.1877 | |
| 436 | K | A | -0.0364 | |
| 437 | P | A | 0.1590 | |
| 438 | E | A | -0.7110 | |
| 439 | E | A | -1.6858 | |
| 440 | V | A | -0.7191 | |
| 441 | D | A | -2.1788 | |
| 442 | G | A | -1.9727 | |
| 443 | K | A | -1.9391 | |
| 444 | V | A | 0.1459 | |
| 445 | E | A | -0.0949 | |
| 446 | L | A | 1.2805 | |
| 447 | T | A | 0.5693 | |
| 448 | G | A | -0.1778 | |
| 449 | T | A | -0.3672 | |
| 450 | R | A | -1.0840 | |
| 451 | K | A | -2.3884 | |
| 452 | V | A | 0.0000 | |
| 453 | T | A | -1.8255 | |
| 454 | T | A | 0.0000 | |
| 455 | A | A | -1.0066 | |
| 456 | S | A | -0.5280 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | 0.0000 | |
| 459 | Q | A | 0.0000 | |
| 460 | R | A | 0.0000 | |
| 461 | R | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | R | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | G | A | 0.0000 | |
| 466 | R | A | -1.4002 | |
| 467 | T | A | -1.2084 | |
| 468 | S | A | -1.1273 | |
| 469 | G | A | -1.1820 | |
| 470 | R | A | -1.3362 | |
| 471 | T | A | -0.5728 | |
| 472 | D | A | 0.0000 | |
| 473 | E | A | -0.2196 | |
| 474 | Y | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | Y | A | -1.1042 | |
| 477 | S | A | -1.2060 | |
| 478 | G | A | -1.5657 | |
| 479 | Q | A | -1.9107 | |
| 480 | C | A | -1.9505 | |
| 481 | D | A | -2.6635 | |
| 482 | D | A | -3.2638 | |
| 483 | D | A | -3.0961 | |
| 484 | D | A | -1.7757 | |
| 485 | T | A | -0.9280 | |
| 486 | S | A | -0.6590 | |
| 487 | L | A | 0.0000 | |
| 488 | V | A | 0.3730 | |
| 489 | Q | A | 0.0000 | |
| 490 | W | A | 1.2741 |
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