| Chain sequence(s) |
A: MWRKPACRESKNRASTHIGAKVYYSTGYSSRKMNPTLGLAIFLAVLLTVKGLLKPSFSPRNYKALSEVQGWKQRMAAKELARQNMDLGFKLLKKLAFYNPGRNIFLSPLSISTAFSMLCLGAQDSTLDEIKQGFNFRKMPEKDLHEGFHYIIHELTQKTQDLKLSIGNTLFIDQRLQPQRKFLEDAKNFYSAETILTNFQNLEMAQKQINDFISQKTHGKINNLIENIDPGTVMLLANYIFFRARWKHEFDPNVTKEEDFFLEKNSSVKVPMMFRSGIYQVGYDDKLSCTILEIPYQKNITAIFILPDEGKLKHLEKGLQVDTFSRWKTLLSRRVVDVSVPRLHMTGTFDLKKTLSYIGVSKIFEEHGDLTKIAPHRSLKVGEAVHKAELKMDERGTEGAAGTGAQTLPMETPLVVKIDKPYLLLIYSEKIPSVLFLGKIVNPIGK
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 (00:22:17)
[INFO] Main: Simulation completed successfully. (00:22:21)
|
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 | M | A | 0.0000 | |
| 2 | W | A | -2.0445 | |
| 3 | R | A | -2.5565 | |
| 4 | K | A | -2.7910 | |
| 5 | P | A | -2.1080 | |
| 6 | A | A | -2.2458 | |
| 7 | C | A | -2.9066 | |
| 8 | R | A | -3.0566 | |
| 9 | E | A | -3.6703 | |
| 10 | S | A | -3.0801 | |
| 11 | K | A | -3.7045 | |
| 12 | N | A | -3.5792 | |
| 13 | R | A | -3.7919 | |
| 14 | A | A | -3.1466 | |
| 15 | S | A | -2.3503 | |
| 16 | T | A | -1.4010 | |
| 17 | H | A | -1.8017 | |
| 18 | I | A | -1.2065 | |
| 19 | G | A | -0.9573 | |
| 20 | A | A | -0.6282 | |
| 21 | K | A | -0.3927 | |
| 22 | V | A | 0.7726 | |
| 23 | Y | A | 1.7295 | |
| 24 | Y | A | 1.0802 | |
| 25 | S | A | -0.2192 | |
| 26 | T | A | -0.2228 | |
| 27 | G | A | -0.6163 | |
| 28 | Y | A | -0.4849 | |
| 29 | S | A | -0.8851 | |
| 30 | S | A | -1.6460 | |
| 31 | R | A | -2.8150 | |
| 32 | K | A | -2.6005 | |
| 33 | M | A | -0.9475 | |
| 34 | N | A | -1.6125 | |
| 35 | P | A | -0.9315 | |
| 36 | T | A | 0.0490 | |
| 37 | L | A | -0.0493 | |
| 38 | G | A | -0.0442 | |
| 39 | L | A | 0.0000 | |
| 40 | A | A | 0.0000 | |
| 41 | I | A | 0.2547 | |
| 42 | F | A | 1.3702 | |
| 43 | L | A | 1.1280 | |
| 44 | A | A | 0.3168 | |
| 45 | V | A | 0.0000 | |
| 46 | L | A | 0.6504 | |
| 47 | L | A | 0.1381 | |
| 48 | T | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | K | A | -0.8908 | |
| 51 | G | A | -0.3764 | |
| 52 | L | A | 0.3890 | |
| 53 | L | A | -0.1390 | |
| 54 | K | A | -1.3616 | |
| 55 | P | A | -0.9243 | |
| 56 | S | A | -0.3907 | |
| 57 | F | A | 1.0721 | |
| 58 | S | A | -0.2206 | |
| 59 | P | A | -1.3393 | |
| 60 | R | A | -2.4700 | |
| 61 | N | A | -2.1900 | |
| 62 | Y | A | -0.5331 | |
| 63 | K | A | -1.1709 | |
| 64 | A | A | 0.0254 | |
| 65 | L | A | 1.1991 | |
| 66 | S | A | -0.1734 | |
| 67 | E | A | -0.3303 | |
| 68 | V | A | 0.8646 | |
| 69 | Q | A | -0.8379 | |
| 70 | G | A | -0.3783 | |
| 71 | W | A | 0.3670 | |
| 72 | K | A | -1.3224 | |
| 73 | Q | A | 0.0000 | |
| 74 | R | A | -1.5945 | |
| 75 | M | A | -1.2897 | |
| 76 | A | A | 0.0000 | |
| 77 | A | A | 0.0000 | |
| 78 | K | A | -3.4351 | |
| 79 | E | A | -2.8758 | |
| 80 | L | A | 0.0000 | |
| 81 | A | A | 0.0000 | |
| 82 | R | A | -2.9255 | |
| 83 | Q | A | -2.0709 | |
| 84 | N | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | D | A | -2.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | G | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | K | A | -2.1134 | |
| 91 | L | A | -0.7144 | |
| 92 | L | A | 0.0000 | |
| 93 | K | A | -1.4574 | |
| 94 | K | A | -0.9645 | |
| 95 | L | A | 0.0182 | |
| 96 | A | A | 0.0000 | |
| 97 | F | A | 1.4451 | |
| 98 | Y | A | 1.4509 | |
| 99 | N | A | 0.0399 | |
| 100 | P | A | -0.5334 | |
| 101 | G | A | -1.6740 | |
| 102 | R | A | -2.2235 | |
| 103 | N | A | -1.5959 | |
| 104 | I | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | P | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | 0.0000 | |
| 111 | I | A | 0.0000 | |
| 112 | S | A | 0.0000 | |
| 113 | T | A | 0.0000 | |
| 114 | A | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | S | A | 0.0000 | |
| 117 | M | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | C | A | 0.0000 | |
| 120 | L | A | -0.2554 | |
| 121 | G | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | Q | A | -2.8248 | |
| 124 | D | A | -2.9058 | |
| 125 | S | A | -2.2069 | |
| 126 | T | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | D | A | -2.6252 | |
| 129 | E | A | -2.5892 | |
| 130 | I | A | 0.0000 | |
| 131 | K | A | -2.4311 | |
| 132 | Q | A | -2.5105 | |
| 133 | G | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | N | A | -2.5603 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -3.3980 | |
| 138 | K | A | -3.0037 | |
| 139 | M | A | -2.0741 | |
| 140 | P | A | -1.8333 | |
| 141 | E | A | -2.0484 | |
| 142 | K | A | -2.2908 | |
| 143 | D | A | -1.9237 | |
| 144 | L | A | 0.0000 | |
| 145 | H | A | 0.0000 | |
| 146 | E | A | -1.8953 | |
| 147 | G | A | 0.0000 | |
| 148 | F | A | 0.0000 | |
| 149 | H | A | -0.5802 | |
| 150 | Y | A | -0.4804 | |
| 151 | I | A | 0.0000 | |
| 152 | I | A | 0.0000 | |
| 153 | H | A | -0.4312 | |
| 154 | E | A | -0.6072 | |
| 155 | L | A | -0.2822 | |
| 156 | T | A | -0.3779 | |
| 157 | Q | A | -0.8581 | |
| 158 | K | A | -1.1943 | |
| 159 | T | A | -1.3161 | |
| 160 | Q | A | -1.8587 | |
| 161 | D | A | -2.2824 | |
| 162 | L | A | 0.0000 | |
| 163 | K | A | -1.5371 | |
| 164 | L | A | 0.0000 | |
| 165 | S | A | -0.3862 | |
| 166 | I | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | N | A | 0.0000 | |
| 169 | T | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | I | A | 0.0000 | |
| 173 | D | A | -1.7648 | |
| 174 | Q | A | -2.4848 | |
| 175 | R | A | -2.7314 | |
| 176 | L | A | 0.0000 | |
| 177 | Q | A | -2.3128 | |
| 178 | P | A | -1.8493 | |
| 179 | Q | A | -2.7615 | |
| 180 | R | A | -3.6799 | |
| 181 | K | A | -3.4673 | |
| 182 | F | A | -2.2871 | |
| 183 | L | A | -2.2259 | |
| 184 | E | A | -3.3253 | |
| 185 | D | A | -2.1760 | |
| 186 | A | A | 0.0000 | |
| 187 | K | A | -1.5390 | |
| 188 | N | A | -1.8801 | |
| 189 | F | A | -0.9493 | |
| 190 | Y | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | T | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | L | A | -0.4690 | |
| 197 | T | A | -1.2040 | |
| 198 | N | A | -2.3916 | |
| 199 | F | A | 0.0000 | |
| 200 | Q | A | -2.4915 | |
| 201 | N | A | -2.3837 | |
| 202 | L | A | -2.5436 | |
| 203 | E | A | -2.8337 | |
| 204 | M | A | -1.5128 | |
| 205 | A | A | 0.0000 | |
| 206 | Q | A | -2.8017 | |
| 207 | K | A | -3.0921 | |
| 208 | Q | A | -2.1764 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | 0.0000 | |
| 211 | D | A | -3.1988 | |
| 212 | F | A | -1.6393 | |
| 213 | I | A | 0.0000 | |
| 214 | S | A | -2.4878 | |
| 215 | Q | A | -2.2726 | |
| 216 | K | A | -1.5477 | |
| 217 | T | A | 0.0000 | |
| 218 | H | A | -1.9893 | |
| 219 | G | A | -2.1291 | |
| 220 | K | A | -1.6425 | |
| 221 | I | A | 0.0000 | |
| 222 | N | A | -2.6812 | |
| 223 | N | A | -2.8852 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | E | A | -3.1652 | |
| 227 | N | A | -2.9865 | |
| 228 | I | A | 0.0000 | |
| 229 | D | A | -2.3670 | |
| 230 | P | A | -1.7388 | |
| 231 | G | A | -1.1755 | |
| 232 | T | A | 0.0000 | |
| 233 | V | A | -0.8537 | |
| 234 | M | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | L | A | 0.0000 | |
| 237 | A | A | 0.0000 | |
| 238 | N | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | R | A | -2.1968 | |
| 244 | A | A | -2.2661 | |
| 245 | R | A | -2.9244 | |
| 246 | W | A | 0.0000 | |
| 247 | K | A | -3.2547 | |
| 248 | H | A | -2.6279 | |
| 249 | E | A | -2.8159 | |
| 250 | F | A | 0.0000 | |
| 251 | D | A | -2.0699 | |
| 252 | P | A | -1.7799 | |
| 253 | N | A | -1.5855 | |
| 254 | V | A | -0.5423 | |
| 255 | T | A | -1.6437 | |
| 256 | K | A | -3.3393 | |
| 257 | E | A | -3.8698 | |
| 258 | E | A | -3.8933 | |
| 259 | D | A | -2.7509 | |
| 260 | F | A | 0.0000 | |
| 261 | F | A | -1.1725 | |
| 262 | L | A | -0.7463 | |
| 263 | E | A | -3.0505 | |
| 264 | K | A | -3.4261 | |
| 265 | N | A | -2.6007 | |
| 266 | S | A | -1.3740 | |
| 267 | S | A | -0.9382 | |
| 268 | V | A | 0.3449 | |
| 269 | K | A | -2.4906 | |
| 270 | V | A | 0.0000 | |
| 271 | P | A | -2.0828 | |
| 272 | M | A | 0.0000 | |
| 273 | M | A | 0.0000 | |
| 274 | F | A | -0.0899 | |
| 275 | R | A | -0.4286 | |
| 276 | S | A | 0.0123 | |
| 277 | G | A | -0.1989 | |
| 278 | I | A | -0.1562 | |
| 279 | Y | A | -0.7932 | |
| 280 | Q | A | -1.4002 | |
| 281 | V | A | 0.0000 | |
| 282 | G | A | 0.0000 | |
| 283 | Y | A | 0.7827 | |
| 284 | D | A | -0.9410 | |
| 285 | D | A | -2.5365 | |
| 286 | K | A | -2.6838 | |
| 287 | L | A | -1.8586 | |
| 288 | S | A | -1.9737 | |
| 289 | C | A | 0.0000 | |
| 290 | T | A | 0.0604 | |
| 291 | I | A | 0.0000 | |
| 292 | L | A | 0.0000 | |
| 293 | E | A | -0.6652 | |
| 294 | I | A | 0.0000 | |
| 295 | P | A | -1.2235 | |
| 296 | Y | A | 0.0000 | |
| 297 | Q | A | -2.7054 | |
| 298 | K | A | -2.7764 | |
| 299 | N | A | -2.7539 | |
| 300 | I | A | 0.0000 | |
| 301 | T | A | -1.0266 | |
| 302 | A | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | F | A | 0.0000 | |
| 305 | I | A | 0.0000 | |
| 306 | L | A | -0.5846 | |
| 307 | P | A | 0.0000 | |
| 308 | D | A | -3.0285 | |
| 309 | E | A | -3.5394 | |
| 310 | G | A | -2.7287 | |
| 311 | K | A | -2.2912 | |
| 312 | L | A | -1.8428 | |
| 313 | K | A | -2.1634 | |
| 314 | H | A | -2.5554 | |
| 315 | L | A | 0.0000 | |
| 316 | E | A | 0.0000 | |
| 317 | K | A | -2.8257 | |
| 318 | G | A | -2.1477 | |
| 319 | L | A | 0.0000 | |
| 320 | Q | A | -2.4950 | |
| 321 | V | A | -1.9760 | |
| 322 | D | A | -2.7236 | |
| 323 | T | A | -2.2454 | |
| 324 | F | A | 0.0000 | |
| 325 | S | A | -1.8546 | |
| 326 | R | A | -2.2901 | |
| 327 | W | A | 0.0000 | |
| 328 | K | A | -1.6843 | |
| 329 | T | A | -0.5687 | |
| 330 | L | A | 0.8517 | |
| 331 | L | A | -0.3100 | |
| 332 | S | A | -1.0170 | |
| 333 | R | A | -2.0126 | |
| 334 | R | A | -1.1113 | |
| 335 | V | A | 0.3288 | |
| 336 | V | A | 0.0000 | |
| 337 | D | A | 0.2023 | |
| 338 | V | A | 0.0000 | |
| 339 | S | A | -0.6511 | |
| 340 | V | A | 0.0000 | |
| 341 | P | A | 0.0000 | |
| 342 | R | A | -0.7636 | |
| 343 | L | A | 0.0000 | |
| 344 | H | A | -1.6371 | |
| 345 | M | A | 0.0000 | |
| 346 | T | A | -0.7917 | |
| 347 | G | A | 0.0000 | |
| 348 | T | A | -0.4429 | |
| 349 | F | A | -1.0251 | |
| 350 | D | A | -2.4345 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -2.2657 | |
| 353 | K | A | -2.4013 | |
| 354 | T | A | -1.3446 | |
| 355 | L | A | 0.0000 | |
| 356 | S | A | -0.3420 | |
| 357 | Y | A | 0.3629 | |
| 358 | I | A | -0.3253 | |
| 359 | G | A | -0.6975 | |
| 360 | V | A | 0.0000 | |
| 361 | S | A | -1.7976 | |
| 362 | K | A | -2.5868 | |
| 363 | I | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | E | A | -3.4304 | |
| 366 | E | A | -3.8796 | |
| 367 | H | A | -3.1978 | |
| 368 | G | A | -2.6783 | |
| 369 | D | A | -2.9366 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | -1.6519 | |
| 372 | K | A | -1.9346 | |
| 373 | I | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | P | A | -1.7118 | |
| 376 | H | A | -2.4464 | |
| 377 | R | A | -2.9752 | |
| 378 | S | A | -2.4940 | |
| 379 | L | A | 0.0000 | |
| 380 | K | A | -2.2951 | |
| 381 | V | A | 0.0000 | |
| 382 | G | A | -1.4022 | |
| 383 | E | A | -1.3608 | |
| 384 | A | A | 0.0000 | |
| 385 | V | A | -0.7597 | |
| 386 | H | A | 0.0000 | |
| 387 | K | A | 0.0000 | |
| 388 | A | A | 0.0000 | |
| 389 | E | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | K | A | -1.7210 | |
| 392 | M | A | 0.0000 | |
| 393 | D | A | -1.9619 | |
| 394 | E | A | -2.0044 | |
| 395 | R | A | -3.2887 | |
| 396 | G | A | 0.0000 | |
| 397 | T | A | -2.6797 | |
| 398 | E | A | -2.7268 | |
| 399 | G | A | -1.5652 | |
| 400 | A | A | -0.7284 | |
| 401 | A | A | -0.5640 | |
| 402 | G | A | -0.7362 | |
| 403 | T | A | -0.7379 | |
| 404 | G | A | -0.9630 | |
| 405 | A | A | -0.6720 | |
| 406 | Q | A | -0.9024 | |
| 407 | T | A | 0.2049 | |
| 408 | L | A | 0.9476 | |
| 409 | P | A | 0.5350 | |
| 410 | M | A | 0.3813 | |
| 411 | E | A | -1.1080 | |
| 412 | T | A | -0.1635 | |
| 413 | P | A | 0.5759 | |
| 414 | L | A | 1.3145 | |
| 415 | V | A | 1.6386 | |
| 416 | V | A | 0.0000 | |
| 417 | K | A | -1.2178 | |
| 418 | I | A | 0.0000 | |
| 419 | D | A | -1.4096 | |
| 420 | K | A | -1.6981 | |
| 421 | P | A | -0.9075 | |
| 422 | Y | A | 0.0000 | |
| 423 | L | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | L | A | 0.0000 | |
| 426 | I | A | 0.0000 | |
| 427 | Y | A | -0.6748 | |
| 428 | S | A | 0.0000 | |
| 429 | E | A | -3.2033 | |
| 430 | K | A | -3.3308 | |
| 431 | I | A | 0.0000 | |
| 432 | P | A | -2.5612 | |
| 433 | S | A | 0.0000 | |
| 434 | V | A | 0.0000 | |
| 435 | L | A | 0.0000 | |
| 436 | F | A | 0.0000 | |
| 437 | L | A | 0.0000 | |
| 438 | G | A | 0.0000 | |
| 439 | K | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | V | A | 0.0000 | |
| 442 | N | A | -0.2093 | |
| 443 | P | A | 0.0000 | |
| 444 | I | A | 0.3180 | |
| 445 | G | A | -0.7780 | |
| 446 | K | A | -1.6089 |
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