| Chain sequence(s) |
A: GTRWAVLVAGSKGYVNYRHQADVCHAYQILKKGGLKDENIIVFMYDDIAYNESNPHPGVIINHPYGSDVYKGVPKDYVGEDINPPNFYAVLLANKSALTGTGSGKVLDSGPNDHVFIYYTDHGGAGVLGMPSKPYIAASDLNDVLKKKHASGTYKSIVFYVESCESGSMFDGLLPEDHNIYVMGASDTGESSWVTYCPLQHPSPPPEYDVCVGDLFSVAWLEDCDVHNLQTETFQQQYEVVKNKTIHVVQYGDVGLSKQTLFVYMGTDPANDNNAVSQRDADLIHYWEKYRRAPEGSSRKAEAKKQLREVMAHRMHIDNSVKHIGKLLFGIEKGHKMLNNVRPAGLPVVDDWDCFKTLIRTFETHCGSLSEYGMKHMRSFANLCNAGIRKEQMAEASAQACVSIPDNPWSSLHAGFS
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 (00:13:57)
[INFO] Main: Simulation completed successfully. (00:14:02)
|
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 | |
| 44 | G | A | -1.3079 | |
| 45 | T | A | -1.0465 | |
| 46 | R | A | -1.0719 | |
| 47 | W | A | -1.0741 | |
| 48 | A | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | K | A | -1.4477 | |
| 56 | G | A | -0.7714 | |
| 57 | Y | A | 0.0000 | |
| 58 | V | A | -0.0703 | |
| 59 | N | A | -0.4412 | |
| 60 | Y | A | 0.0000 | |
| 61 | R | A | 0.0000 | |
| 62 | H | A | 0.0000 | |
| 63 | Q | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | D | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | C | A | 0.0000 | |
| 68 | H | A | -0.6042 | |
| 69 | A | A | 0.0000 | |
| 70 | Y | A | 0.0000 | |
| 71 | Q | A | -1.5614 | |
| 72 | I | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | K | A | -2.7996 | |
| 75 | K | A | -3.0716 | |
| 76 | G | A | -2.0519 | |
| 77 | G | A | -2.0006 | |
| 78 | L | A | -2.1548 | |
| 79 | K | A | -3.1913 | |
| 80 | D | A | -2.6428 | |
| 81 | E | A | -2.7294 | |
| 82 | N | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | V | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | M | A | 0.0000 | |
| 88 | Y | A | -1.0853 | |
| 89 | D | A | -1.2496 | |
| 90 | D | A | -0.8647 | |
| 91 | I | A | 0.0000 | |
| 92 | A | A | 0.0000 | |
| 93 | Y | A | 0.4216 | |
| 94 | N | A | -0.8410 | |
| 95 | E | A | -1.7799 | |
| 96 | S | A | -0.9202 | |
| 97 | N | A | 0.0000 | |
| 98 | P | A | -0.7789 | |
| 99 | H | A | -0.7205 | |
| 100 | P | A | -0.2510 | |
| 101 | G | A | 0.0000 | |
| 102 | V | A | -0.1572 | |
| 103 | I | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | N | A | 0.0000 | |
| 106 | H | A | -0.1616 | |
| 107 | P | A | 0.0000 | |
| 108 | Y | A | 1.0426 | |
| 109 | G | A | 0.0573 | |
| 110 | S | A | -0.3002 | |
| 111 | D | A | -1.0725 | |
| 112 | V | A | 0.0000 | |
| 113 | Y | A | 0.0000 | |
| 114 | K | A | -1.9950 | |
| 115 | G | A | -1.6678 | |
| 116 | V | A | 0.0000 | |
| 117 | P | A | -1.2836 | |
| 118 | K | A | -1.3422 | |
| 119 | D | A | 0.0000 | |
| 120 | Y | A | 0.0000 | |
| 121 | V | A | -0.8582 | |
| 122 | G | A | -1.4624 | |
| 123 | E | A | -2.2912 | |
| 124 | D | A | -1.2471 | |
| 125 | I | A | 0.0000 | |
| 126 | N | A | -0.8565 | |
| 127 | P | A | 0.0000 | |
| 128 | P | A | -0.3639 | |
| 129 | N | A | 0.0000 | |
| 130 | F | A | 0.0000 | |
| 131 | Y | A | -0.1882 | |
| 132 | A | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | L | A | -0.5368 | |
| 136 | A | A | -1.2875 | |
| 137 | N | A | -1.6909 | |
| 138 | K | A | -2.2995 | |
| 139 | S | A | -1.1874 | |
| 140 | A | A | -0.6599 | |
| 141 | L | A | -0.6832 | |
| 142 | T | A | -0.7304 | |
| 143 | G | A | -0.8926 | |
| 144 | T | A | -0.6419 | |
| 145 | G | A | -0.8612 | |
| 146 | S | A | -0.8378 | |
| 147 | G | A | -0.9807 | |
| 148 | K | A | -1.4461 | |
| 149 | V | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | D | A | -2.0761 | |
| 152 | S | A | -1.4375 | |
| 153 | G | A | -1.3733 | |
| 154 | P | A | -1.5286 | |
| 155 | N | A | -2.0924 | |
| 156 | D | A | 0.0000 | |
| 157 | H | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | F | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | Y | A | 0.0000 | |
| 162 | Y | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | D | A | -0.4555 | |
| 166 | G | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | A | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | V | A | 0.0000 | |
| 171 | L | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | M | A | 0.0000 | |
| 174 | P | A | 0.0000 | |
| 175 | S | A | -1.2185 | |
| 176 | K | A | -0.9658 | |
| 177 | P | A | -0.5145 | |
| 178 | Y | A | 0.0000 | |
| 179 | I | A | 0.0000 | |
| 180 | A | A | -0.3969 | |
| 181 | A | A | 0.0000 | |
| 182 | S | A | -1.3117 | |
| 183 | D | A | -1.4715 | |
| 184 | L | A | 0.0000 | |
| 185 | N | A | 0.0000 | |
| 186 | D | A | -2.2989 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | K | A | -2.1815 | |
| 190 | K | A | -2.2115 | |
| 191 | K | A | 0.0000 | |
| 192 | H | A | -1.7537 | |
| 193 | A | A | -1.0018 | |
| 194 | S | A | -0.8530 | |
| 195 | G | A | -1.1818 | |
| 196 | T | A | -1.1129 | |
| 197 | Y | A | 0.0000 | |
| 198 | K | A | -1.9412 | |
| 199 | S | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | Y | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | E | A | 0.0000 | |
| 206 | S | A | 0.0000 | |
| 207 | C | A | 0.0000 | |
| 208 | E | A | 0.0000 | |
| 209 | S | A | 0.0000 | |
| 210 | G | A | 0.0000 | |
| 211 | S | A | 0.0000 | |
| 212 | M | A | 0.0000 | |
| 213 | F | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | G | A | -0.3068 | |
| 216 | L | A | -0.3013 | |
| 217 | L | A | -0.8622 | |
| 218 | P | A | -1.6835 | |
| 219 | E | A | -2.8327 | |
| 220 | D | A | -2.9932 | |
| 221 | H | A | -2.2713 | |
| 222 | N | A | -1.8892 | |
| 223 | I | A | 0.0000 | |
| 224 | Y | A | 0.0000 | |
| 225 | V | A | 0.0000 | |
| 226 | M | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | D | A | -1.0128 | |
| 231 | T | A | -0.3969 | |
| 232 | G | A | -0.6172 | |
| 233 | E | A | -1.1109 | |
| 234 | S | A | -0.6697 | |
| 235 | S | A | 0.0000 | |
| 236 | W | A | 0.2192 | |
| 237 | V | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | C | A | 0.0000 | |
| 241 | P | A | 0.2481 | |
| 242 | L | A | 0.9887 | |
| 243 | Q | A | -0.1974 | |
| 244 | H | A | -0.9448 | |
| 245 | P | A | -0.3425 | |
| 246 | S | A | -0.0656 | |
| 247 | P | A | 0.0000 | |
| 248 | P | A | -0.3924 | |
| 249 | P | A | -0.6921 | |
| 250 | E | A | -1.3517 | |
| 251 | Y | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | V | A | 0.0000 | |
| 254 | C | A | 0.0000 | |
| 255 | V | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | D | A | 0.0000 | |
| 258 | L | A | 0.0000 | |
| 259 | F | A | 0.0000 | |
| 260 | S | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | W | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | E | A | -0.7160 | |
| 266 | D | A | 0.0000 | |
| 267 | C | A | 0.0000 | |
| 268 | D | A | -1.0413 | |
| 269 | V | A | -0.0902 | |
| 270 | H | A | -1.7145 | |
| 271 | N | A | -2.2088 | |
| 272 | L | A | 0.0000 | |
| 273 | Q | A | -1.7156 | |
| 274 | T | A | -1.8204 | |
| 275 | E | A | 0.0000 | |
| 276 | T | A | -1.3433 | |
| 277 | F | A | 0.0000 | |
| 278 | Q | A | -2.1081 | |
| 279 | Q | A | -2.0280 | |
| 280 | Q | A | 0.0000 | |
| 281 | Y | A | -1.5790 | |
| 282 | E | A | -2.6528 | |
| 283 | V | A | -1.4498 | |
| 284 | V | A | 0.0000 | |
| 285 | K | A | -2.2207 | |
| 286 | N | A | -2.0157 | |
| 287 | K | A | -1.3901 | |
| 288 | T | A | -0.1825 | |
| 289 | I | A | 1.3928 | |
| 298 | H | A | -1.1788 | |
| 299 | V | A | 0.0000 | |
| 300 | V | A | 0.0000 | |
| 301 | Q | A | -0.3795 | |
| 302 | Y | A | -0.1832 | |
| 303 | G | A | -1.2511 | |
| 304 | D | A | -1.4924 | |
| 305 | V | A | -0.7030 | |
| 306 | G | A | -1.2163 | |
| 307 | L | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | K | A | -2.1528 | |
| 310 | Q | A | -1.2407 | |
| 311 | T | A | -0.7778 | |
| 312 | L | A | 0.0000 | |
| 313 | F | A | 0.3080 | |
| 314 | V | A | 0.2583 | |
| 315 | Y | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | T | A | -1.3531 | |
| 319 | D | A | -1.9691 | |
| 320 | P | A | -1.3108 | |
| 321 | A | A | -1.5771 | |
| 322 | N | A | -2.8715 | |
| 323 | D | A | -3.2463 | |
| 324 | N | A | -3.1551 | |
| 325 | N | A | -2.4654 | |
| 339 | A | A | 0.4810 | |
| 340 | V | A | -0.1188 | |
| 341 | S | A | -0.6398 | |
| 342 | Q | A | 0.0000 | |
| 343 | R | A | -1.2922 | |
| 344 | D | A | -1.7230 | |
| 345 | A | A | 0.0000 | |
| 346 | D | A | -0.4476 | |
| 347 | L | A | -0.0085 | |
| 348 | I | A | 0.1918 | |
| 349 | H | A | 0.0000 | |
| 350 | Y | A | 0.0000 | |
| 351 | W | A | 0.0158 | |
| 352 | E | A | 0.0000 | |
| 353 | K | A | -1.0624 | |
| 354 | Y | A | -1.7528 | |
| 355 | R | A | -2.0493 | |
| 356 | R | A | -1.7313 | |
| 357 | A | A | 0.0000 | |
| 358 | P | A | -1.8664 | |
| 359 | E | A | -2.6324 | |
| 360 | G | A | -1.6732 | |
| 361 | S | A | -1.6497 | |
| 362 | S | A | -1.6860 | |
| 363 | R | A | -2.3673 | |
| 364 | K | A | -2.7661 | |
| 365 | A | A | -2.3556 | |
| 366 | E | A | -3.2517 | |
| 367 | A | A | 0.0000 | |
| 368 | K | A | -3.0877 | |
| 369 | K | A | -3.3817 | |
| 370 | Q | A | -2.5911 | |
| 371 | L | A | -1.8643 | |
| 372 | R | A | -3.0476 | |
| 373 | E | A | -2.4479 | |
| 374 | V | A | 0.0000 | |
| 375 | M | A | -0.2720 | |
| 376 | A | A | -0.5286 | |
| 377 | H | A | 0.0000 | |
| 378 | R | A | 0.0000 | |
| 379 | M | A | 0.6220 | |
| 380 | H | A | -0.1758 | |
| 381 | I | A | 0.0000 | |
| 382 | D | A | -1.1960 | |
| 383 | N | A | -1.8517 | |
| 384 | S | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | K | A | -2.4868 | |
| 387 | H | A | -1.8921 | |
| 388 | I | A | 0.0000 | |
| 389 | G | A | 0.0000 | |
| 390 | K | A | -1.1192 | |
| 391 | L | A | -0.0152 | |
| 392 | L | A | 0.1417 | |
| 393 | F | A | -0.2431 | |
| 394 | G | A | -0.6206 | |
| 395 | I | A | -0.2572 | |
| 396 | E | A | -2.3861 | |
| 397 | K | A | -2.8775 | |
| 398 | G | A | 0.0000 | |
| 399 | H | A | -3.2438 | |
| 400 | K | A | -3.0093 | |
| 401 | M | A | -1.6637 | |
| 402 | L | A | 0.0000 | |
| 403 | N | A | -2.1114 | |
| 404 | N | A | -0.9772 | |
| 405 | V | A | 0.7471 | |
| 406 | R | A | 0.2550 | |
| 407 | P | A | 0.0093 | |
| 408 | A | A | -0.0455 | |
| 409 | G | A | -0.3195 | |
| 410 | L | A | -0.0137 | |
| 411 | P | A | -0.5585 | |
| 412 | V | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | D | A | -2.6781 | |
| 415 | D | A | -2.9155 | |
| 416 | W | A | -2.1449 | |
| 417 | D | A | -2.5205 | |
| 418 | C | A | -2.3810 | |
| 419 | F | A | 0.0000 | |
| 420 | K | A | -1.4615 | |
| 421 | T | A | -1.6366 | |
| 422 | L | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | R | A | -1.2808 | |
| 425 | T | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | E | A | 0.0000 | |
| 428 | T | A | -0.1548 | |
| 429 | H | A | -0.2325 | |
| 430 | C | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | S | A | 0.0000 | |
| 435 | E | A | -1.0101 | |
| 436 | Y | A | 0.0000 | |
| 437 | G | A | 0.0000 | |
| 438 | M | A | 0.0000 | |
| 439 | K | A | -1.4236 | |
| 440 | H | A | -1.0775 | |
| 441 | M | A | 0.0000 | |
| 442 | R | A | -0.5940 | |
| 443 | S | A | 0.0000 | |
| 444 | F | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | N | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | C | A | 0.0000 | |
| 449 | N | A | -1.1118 | |
| 450 | A | A | -0.4496 | |
| 451 | G | A | -1.1512 | |
| 452 | I | A | -1.6093 | |
| 453 | R | A | -3.1391 | |
| 454 | K | A | -3.4349 | |
| 455 | E | A | -3.6260 | |
| 456 | Q | A | -2.8726 | |
| 457 | M | A | 0.0000 | |
| 458 | A | A | -2.5616 | |
| 459 | E | A | -2.7769 | |
| 460 | A | A | 0.0000 | |
| 461 | S | A | 0.0000 | |
| 462 | A | A | -0.6280 | |
| 463 | Q | A | -1.1491 | |
| 464 | A | A | -0.9273 | |
| 465 | C | A | 0.0000 | |
| 466 | V | A | 1.4004 | |
| 467 | S | A | 0.4981 | |
| 468 | I | A | 0.2906 | |
| 469 | P | A | -0.6801 | |
| 470 | D | A | -1.9317 | |
| 471 | N | A | -1.5250 | |
| 472 | P | A | -0.9156 | |
| 473 | W | A | -0.5122 | |
| 474 | S | A | 0.0000 | |
| 475 | S | A | -0.2429 | |
| 476 | L | A | 0.3264 | |
| 477 | H | A | -0.6085 | |
| 478 | A | A | -0.2728 | |
| 479 | G | A | -0.0397 | |
| 480 | F | A | 0.2571 | |
| 481 | S | A | -0.2539 |
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