| Chain sequence(s) |
A: MESSGGIMPRLPSEASLNPTLRRHLGCCGLVYYSTGYSSRKMNPTLGLAIFLAVLLTVKGLLKPSFSPRNYKALSEVQGWKQRMAAKELARQNMDLGFKLLKKLAFYNPGRNIFLSPLSISTAFSMLCLGAQDSTLDEIKQGFNFRKMPEKDLHEGFHYIIHELTQKTQDLKLSIGNTLFIDQRLQPQRKFLEDAKNFYSAETILTNFQNLEMAQKQINDFISQKTHGKINNLIENIDPGTVMLLANYIFFRARWKHEFDPNVTKEEDFFLEKNSSVKVPMMFRSGIYQVGYDDKLSCTILEIPYQKNITAIFILPDEGKLKHLEKGLQVDTFSRWKTLLSRRVVDVSVPRLHMTGTFDLKKTLSYIGVSKIFEEHGDLTKIAPHRSLKVGEAVHKAELKMDERGTEGAAGTGAQTLPMETPLVVKIDKPYLLLIYSEKIPSVLFLGKIVNPIGK
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 (00:22:37)
[INFO] Main: Simulation completed successfully. (00:22:41)
|
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 | -1.1640 | |
| 2 | E | A | -2.5298 | |
| 3 | S | A | -1.4971 | |
| 4 | S | A | -1.1115 | |
| 5 | G | A | -0.7253 | |
| 6 | G | A | -0.0942 | |
| 7 | I | A | 0.6145 | |
| 8 | M | A | 0.7015 | |
| 9 | P | A | -0.3719 | |
| 10 | R | A | -1.2623 | |
| 11 | L | A | 0.2548 | |
| 12 | P | A | -0.2125 | |
| 13 | S | A | -0.7597 | |
| 14 | E | A | -1.4928 | |
| 15 | A | A | -0.8461 | |
| 16 | S | A | -0.6099 | |
| 17 | L | A | -0.6464 | |
| 18 | N | A | -1.7661 | |
| 19 | P | A | -1.9324 | |
| 20 | T | A | -2.0144 | |
| 21 | L | A | -1.9531 | |
| 22 | R | A | -2.7693 | |
| 23 | R | A | -3.0801 | |
| 24 | H | A | -2.2371 | |
| 25 | L | A | -0.7552 | |
| 26 | G | A | -0.4713 | |
| 27 | C | A | 0.1271 | |
| 28 | C | A | 0.0000 | |
| 29 | G | A | 0.3087 | |
| 30 | L | A | 0.9222 | |
| 31 | V | A | 2.3383 | |
| 32 | Y | A | 0.0000 | |
| 33 | Y | A | 1.4851 | |
| 34 | S | A | 0.0714 | |
| 35 | T | A | 0.1257 | |
| 36 | G | A | 0.5961 | |
| 37 | Y | A | 0.7389 | |
| 38 | S | A | -0.1644 | |
| 39 | S | A | -1.1574 | |
| 40 | R | A | -2.8473 | |
| 41 | K | A | -2.5507 | |
| 42 | M | A | -0.5133 | |
| 43 | N | A | -1.6562 | |
| 44 | P | A | -0.5297 | |
| 45 | T | A | 0.6928 | |
| 46 | L | A | 0.8523 | |
| 47 | G | A | 1.2538 | |
| 48 | L | A | 1.5195 | |
| 49 | A | A | 0.0000 | |
| 50 | I | A | 2.7908 | |
| 51 | F | A | 3.4653 | |
| 52 | L | A | 2.1584 | |
| 53 | A | A | 0.5899 | |
| 54 | V | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | L | A | 0.1088 | |
| 57 | T | A | -0.2413 | |
| 58 | V | A | 0.0000 | |
| 59 | K | A | -1.6696 | |
| 60 | G | A | -1.5591 | |
| 61 | L | A | -0.7991 | |
| 62 | L | A | -0.4526 | |
| 63 | K | A | -1.6618 | |
| 64 | P | A | -0.6086 | |
| 65 | S | A | -0.2280 | |
| 66 | F | A | 0.0910 | |
| 67 | S | A | -0.7512 | |
| 68 | P | A | -1.6019 | |
| 69 | R | A | -2.8240 | |
| 70 | N | A | -2.1998 | |
| 71 | Y | A | -1.4359 | |
| 72 | K | A | -2.4775 | |
| 73 | A | A | -1.2185 | |
| 74 | L | A | -0.0119 | |
| 75 | S | A | -1.2497 | |
| 76 | E | A | -1.8453 | |
| 77 | V | A | -0.7131 | |
| 78 | Q | A | -1.3783 | |
| 79 | G | A | -1.6861 | |
| 80 | W | A | 0.0000 | |
| 81 | K | A | -1.0499 | |
| 82 | Q | A | -1.7062 | |
| 83 | R | A | -2.1803 | |
| 84 | M | A | -0.6049 | |
| 85 | A | A | -1.2275 | |
| 86 | A | A | -1.6752 | |
| 87 | K | A | -1.9928 | |
| 88 | E | A | -2.3351 | |
| 89 | L | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | R | A | -3.2946 | |
| 92 | Q | A | -2.8824 | |
| 93 | N | A | 0.0000 | |
| 94 | M | A | 0.0000 | |
| 95 | D | A | -2.9184 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | F | A | -1.5806 | |
| 99 | K | A | -2.5232 | |
| 100 | L | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | K | A | -1.3569 | |
| 103 | K | A | -0.9838 | |
| 104 | L | A | 0.0000 | |
| 105 | A | A | -0.3450 | |
| 106 | F | A | 1.3139 | |
| 107 | Y | A | 0.8930 | |
| 108 | N | A | -0.7481 | |
| 109 | P | A | -0.8229 | |
| 110 | G | A | -1.1186 | |
| 111 | R | A | -2.2735 | |
| 112 | N | A | -1.1986 | |
| 113 | I | A | 0.0000 | |
| 114 | F | A | 0.1558 | |
| 115 | L | A | 0.0000 | |
| 116 | S | A | 0.0224 | |
| 117 | P | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | S | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | T | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | 0.0000 | |
| 126 | M | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | C | A | 0.0000 | |
| 129 | L | A | -1.1436 | |
| 130 | G | A | 0.0000 | |
| 131 | A | A | 0.0000 | |
| 132 | Q | A | -3.2933 | |
| 133 | D | A | -3.0217 | |
| 134 | S | A | -2.4836 | |
| 135 | T | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | D | A | -3.8056 | |
| 138 | E | A | -3.1028 | |
| 139 | I | A | 0.0000 | |
| 140 | K | A | 0.0000 | |
| 141 | Q | A | -3.0749 | |
| 142 | G | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | N | A | -3.0978 | |
| 145 | F | A | 0.0000 | |
| 146 | R | A | -3.8754 | |
| 147 | K | A | -3.1022 | |
| 148 | M | A | -2.3059 | |
| 149 | P | A | -2.5049 | |
| 150 | E | A | -3.1975 | |
| 151 | K | A | -3.0400 | |
| 152 | D | A | -2.7634 | |
| 153 | L | A | 0.0000 | |
| 154 | H | A | 0.0000 | |
| 155 | E | A | -1.4480 | |
| 156 | G | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | Y | A | 0.0000 | |
| 160 | I | A | 0.0000 | |
| 161 | I | A | 0.1106 | |
| 162 | H | A | 0.0000 | |
| 163 | E | A | -0.3501 | |
| 164 | L | A | 0.0000 | |
| 165 | T | A | 0.0000 | |
| 166 | Q | A | 0.0000 | |
| 167 | K | A | -0.7908 | |
| 168 | T | A | -1.1608 | |
| 169 | Q | A | -1.5175 | |
| 170 | D | A | -1.4334 | |
| 171 | L | A | 0.0000 | |
| 172 | K | A | -0.9454 | |
| 173 | L | A | 0.0000 | |
| 174 | S | A | -0.2975 | |
| 175 | I | A | 0.1253 | |
| 176 | G | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | T | A | -0.4224 | |
| 179 | L | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | D | A | -1.8481 | |
| 183 | Q | A | -2.4969 | |
| 184 | R | A | -2.7896 | |
| 185 | L | A | -1.9879 | |
| 186 | Q | A | -2.2903 | |
| 187 | P | A | -2.1014 | |
| 188 | Q | A | -3.3657 | |
| 189 | R | A | -3.8671 | |
| 190 | K | A | -3.9105 | |
| 191 | F | A | 0.0000 | |
| 192 | L | A | -2.9701 | |
| 193 | E | A | -3.4650 | |
| 194 | D | A | -2.6668 | |
| 195 | A | A | 0.0000 | |
| 196 | K | A | -2.2558 | |
| 197 | N | A | -1.3183 | |
| 198 | F | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | S | A | -1.0212 | |
| 201 | A | A | 0.0000 | |
| 202 | E | A | -1.7375 | |
| 203 | T | A | -0.6949 | |
| 204 | I | A | -0.1549 | |
| 205 | L | A | -0.5559 | |
| 206 | T | A | -1.0052 | |
| 207 | N | A | -2.1439 | |
| 208 | F | A | 0.0000 | |
| 209 | Q | A | -1.9522 | |
| 210 | N | A | -1.7466 | |
| 211 | L | A | -2.0701 | |
| 212 | E | A | -2.6755 | |
| 213 | M | A | -1.2432 | |
| 214 | A | A | 0.0000 | |
| 215 | Q | A | -2.1630 | |
| 216 | K | A | -2.4799 | |
| 217 | Q | A | -1.3818 | |
| 218 | I | A | 0.0000 | |
| 219 | N | A | 0.0000 | |
| 220 | D | A | -1.7596 | |
| 221 | F | A | -0.7635 | |
| 222 | I | A | 0.0000 | |
| 223 | S | A | 0.0000 | |
| 224 | Q | A | -1.5831 | |
| 225 | K | A | -1.2252 | |
| 226 | T | A | 0.0000 | |
| 227 | H | A | -1.2597 | |
| 228 | G | A | -1.3462 | |
| 229 | K | A | -1.1323 | |
| 230 | I | A | 0.0000 | |
| 231 | N | A | -2.3984 | |
| 232 | N | A | -2.5706 | |
| 233 | L | A | 0.0000 | |
| 234 | I | A | -1.3792 | |
| 235 | E | A | -2.8450 | |
| 236 | N | A | -2.6106 | |
| 237 | I | A | 0.0000 | |
| 238 | D | A | -2.3815 | |
| 239 | P | A | -1.4761 | |
| 240 | G | A | -1.3326 | |
| 241 | T | A | -1.2149 | |
| 242 | V | A | -0.4729 | |
| 243 | M | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | A | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | Y | A | 0.0000 | |
| 249 | I | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | R | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | R | A | -1.6046 | |
| 255 | W | A | 0.0000 | |
| 256 | K | A | -2.3661 | |
| 257 | H | A | -2.3211 | |
| 258 | E | A | -2.5406 | |
| 259 | F | A | 0.0000 | |
| 260 | D | A | -2.6437 | |
| 261 | P | A | -1.7127 | |
| 262 | N | A | -1.7310 | |
| 263 | V | A | -0.7446 | |
| 264 | T | A | -1.5860 | |
| 265 | K | A | -2.9946 | |
| 266 | E | A | -3.9645 | |
| 267 | E | A | -3.4885 | |
| 268 | D | A | -3.1713 | |
| 269 | F | A | 0.0000 | |
| 270 | F | A | -1.4127 | |
| 271 | L | A | -1.1387 | |
| 272 | E | A | -3.1953 | |
| 273 | K | A | -3.3953 | |
| 274 | N | A | -2.6980 | |
| 275 | S | A | -1.7507 | |
| 276 | S | A | -1.4775 | |
| 277 | V | A | -0.0527 | |
| 278 | K | A | -2.3246 | |
| 279 | V | A | 0.0000 | |
| 280 | P | A | -1.8843 | |
| 281 | M | A | 0.0000 | |
| 282 | M | A | 0.0000 | |
| 283 | F | A | -0.1545 | |
| 284 | R | A | -0.5879 | |
| 285 | S | A | 0.0066 | |
| 286 | G | A | 0.0000 | |
| 287 | I | A | -1.0403 | |
| 288 | Y | A | -1.0975 | |
| 289 | Q | A | -1.7375 | |
| 290 | V | A | 0.0000 | |
| 291 | G | A | 0.0000 | |
| 292 | Y | A | -0.0016 | |
| 293 | D | A | -1.1723 | |
| 294 | D | A | -2.4847 | |
| 295 | K | A | -2.2726 | |
| 296 | L | A | -1.0537 | |
| 297 | S | A | -1.8397 | |
| 298 | C | A | 0.0000 | |
| 299 | T | A | -0.2024 | |
| 300 | I | A | 0.0000 | |
| 301 | L | A | 0.0000 | |
| 302 | E | A | -0.6365 | |
| 303 | I | A | 0.0000 | |
| 304 | P | A | -1.1408 | |
| 305 | Y | A | 0.0000 | |
| 306 | Q | A | 0.0000 | |
| 307 | K | A | -2.1047 | |
| 308 | N | A | -2.4480 | |
| 309 | I | A | 0.0000 | |
| 310 | T | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | F | A | 0.0000 | |
| 314 | I | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | P | A | 0.0000 | |
| 317 | D | A | -2.7161 | |
| 318 | E | A | -3.5260 | |
| 319 | G | A | -2.3331 | |
| 320 | K | A | -2.8313 | |
| 321 | L | A | -1.8188 | |
| 322 | K | A | -2.2006 | |
| 323 | H | A | -2.7436 | |
| 324 | L | A | 0.0000 | |
| 325 | E | A | 0.0000 | |
| 326 | K | A | -2.7402 | |
| 327 | G | A | -1.6064 | |
| 328 | L | A | 0.0000 | |
| 329 | Q | A | -1.6056 | |
| 330 | V | A | -0.3328 | |
| 331 | D | A | -1.9671 | |
| 332 | T | A | -1.5355 | |
| 333 | F | A | 0.0000 | |
| 334 | S | A | -1.3541 | |
| 335 | R | A | -2.0041 | |
| 336 | W | A | -0.5931 | |
| 337 | K | A | -0.8375 | |
| 338 | T | A | -0.2840 | |
| 339 | L | A | 0.5878 | |
| 340 | L | A | 0.0000 | |
| 341 | S | A | -1.3204 | |
| 342 | R | A | -2.8826 | |
| 343 | R | A | -2.2455 | |
| 344 | V | A | -0.8570 | |
| 345 | V | A | 0.0000 | |
| 346 | D | A | 0.2375 | |
| 347 | V | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | P | A | 0.0000 | |
| 351 | R | A | -0.1142 | |
| 352 | L | A | 0.7011 | |
| 353 | H | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | T | A | -0.7811 | |
| 356 | G | A | -0.5240 | |
| 357 | T | A | -0.2484 | |
| 358 | F | A | 0.0000 | |
| 359 | D | A | -0.8980 | |
| 360 | L | A | 0.0000 | |
| 361 | K | A | 0.0000 | |
| 362 | K | A | -1.4270 | |
| 363 | T | A | -0.7389 | |
| 364 | L | A | 0.0000 | |
| 365 | S | A | -0.3894 | |
| 366 | Y | A | 0.8369 | |
| 367 | I | A | 0.1301 | |
| 368 | G | A | -0.6214 | |
| 369 | V | A | 0.0000 | |
| 370 | S | A | -1.5403 | |
| 371 | K | A | -2.9205 | |
| 372 | I | A | 0.0000 | |
| 373 | F | A | -1.8760 | |
| 374 | E | A | -3.4177 | |
| 375 | E | A | -3.3332 | |
| 376 | H | A | -3.1834 | |
| 377 | G | A | 0.0000 | |
| 378 | D | A | -3.0985 | |
| 379 | L | A | 0.0000 | |
| 380 | T | A | -2.8934 | |
| 381 | K | A | -3.1584 | |
| 382 | I | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | P | A | -2.5446 | |
| 385 | H | A | -2.5981 | |
| 386 | R | A | -3.2399 | |
| 387 | S | A | -2.4114 | |
| 388 | L | A | 0.0000 | |
| 389 | K | A | 0.0000 | |
| 390 | V | A | 0.0000 | |
| 391 | G | A | -1.1760 | |
| 392 | E | A | -0.8706 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | H | A | 0.0000 | |
| 396 | K | A | -0.2650 | |
| 397 | A | A | -0.0179 | |
| 398 | E | A | 0.0000 | |
| 399 | L | A | 0.1670 | |
| 400 | K | A | 0.0000 | |
| 401 | M | A | -0.0466 | |
| 402 | D | A | 0.0000 | |
| 403 | E | A | 0.0000 | |
| 404 | R | A | -2.6297 | |
| 405 | G | A | -2.3376 | |
| 406 | T | A | -2.1965 | |
| 407 | E | A | -2.7743 | |
| 408 | G | A | -1.6033 | |
| 409 | A | A | -0.6974 | |
| 410 | A | A | -0.6868 | |
| 411 | G | A | -0.8349 | |
| 412 | T | A | -0.6627 | |
| 413 | G | A | -0.8336 | |
| 414 | A | A | -0.8554 | |
| 415 | Q | A | -1.4991 | |
| 416 | T | A | -1.0226 | |
| 417 | L | A | -0.7677 | |
| 418 | P | A | -0.8506 | |
| 419 | M | A | -0.7638 | |
| 420 | E | A | -1.6862 | |
| 421 | T | A | -0.5468 | |
| 422 | P | A | 0.0564 | |
| 423 | L | A | 0.8634 | |
| 424 | V | A | 1.4304 | |
| 425 | V | A | 0.0000 | |
| 426 | K | A | -1.1419 | |
| 427 | I | A | 0.0000 | |
| 428 | D | A | -1.3223 | |
| 429 | K | A | -1.7996 | |
| 430 | P | A | 0.0000 | |
| 431 | Y | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | L | A | 0.2108 | |
| 434 | L | A | 0.0000 | |
| 435 | I | A | 0.0000 | |
| 436 | Y | A | 0.0000 | |
| 437 | S | A | -1.6861 | |
| 438 | E | A | -3.0022 | |
| 439 | K | A | -2.7178 | |
| 440 | I | A | -1.6178 | |
| 441 | P | A | -1.3595 | |
| 442 | S | A | 0.0000 | |
| 443 | V | A | -0.5308 | |
| 444 | L | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | G | A | 0.1555 | |
| 448 | K | A | 0.0000 | |
| 449 | I | A | -0.0506 | |
| 450 | V | A | -0.4119 | |
| 451 | N | A | -0.4193 | |
| 452 | P | A | 0.0000 | |
| 453 | I | A | 0.4977 | |
| 454 | G | A | 0.0000 | |
| 455 | K | A | -2.2115 |
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