| Chain sequence(s) |
A: MPRLPSEASLNPTLSAPPWMLRAGYSSRKMNPTLGLAIFLAVLLTVKGLLKPSFSPRNYKALSEVQGWKQRMAAKELARQNMDLGFKLLKKLAFYNPGRNIFLSPLSISTAFSMLCLGAQDSTLDEIKQGFNFRKMPEKDLHEGFHYIIHELTQKTQDLKLSIGNTLFIDQRLQPQRKFLEDAKNFYSAETILTNFQNLEMAQKQINDFISQKTHGKINNLIENIDPGTVMLLANYIFFRARWKHEFDPNVTKEEDFFLEKNSSVKVPMMFRSGIYQVGYDDKLSCTILEIPYQKNITAIFILPDEGKLKHLEKGLQVDTFSRWKTLLSRRVVDVSVPRLHMTGTFDLKKTLSYIGVSKIFEEHGDLTKIAPHRSLKVGEAVHKAELKMDERGTEGAAGTGAQTLPMETPLVVKIDKPYLLLIYSEKIPSVLFLGKIVNPIGK
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 (00:20:41)
[INFO] Main: Simulation completed successfully. (00:20:45)
|
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 | 0.6731 | |
| 2 | P | A | 0.0000 | |
| 3 | R | A | 0.0000 | |
| 4 | L | A | 0.0000 | |
| 5 | P | A | -0.4131 | |
| 6 | S | A | -0.9381 | |
| 7 | E | A | -1.5207 | |
| 8 | A | A | -0.8795 | |
| 9 | S | A | -0.0492 | |
| 10 | L | A | 0.8873 | |
| 11 | N | A | 0.0000 | |
| 12 | P | A | -0.0700 | |
| 13 | T | A | 0.0000 | |
| 14 | L | A | -0.1014 | |
| 15 | S | A | -0.2528 | |
| 16 | A | A | -0.3532 | |
| 17 | P | A | -0.5303 | |
| 18 | P | A | -0.1615 | |
| 19 | W | A | 0.5821 | |
| 20 | M | A | 1.1549 | |
| 21 | L | A | 0.0000 | |
| 22 | R | A | -0.2449 | |
| 23 | A | A | 0.0615 | |
| 24 | G | A | 0.3488 | |
| 25 | Y | A | 0.4393 | |
| 26 | S | A | -0.7274 | |
| 27 | S | A | -1.5055 | |
| 28 | R | A | -2.6041 | |
| 29 | K | A | -2.5623 | |
| 30 | M | A | -1.2992 | |
| 31 | N | A | -1.5429 | |
| 32 | P | A | -0.9502 | |
| 33 | T | A | -0.0722 | |
| 34 | L | A | 0.3327 | |
| 35 | G | A | 0.4070 | |
| 36 | L | A | 1.0059 | |
| 37 | A | A | 1.5583 | |
| 38 | I | A | 2.5758 | |
| 39 | F | A | 1.9260 | |
| 40 | L | A | 1.8044 | |
| 41 | A | A | 1.5330 | |
| 42 | V | A | 1.4715 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | 0.8598 | |
| 45 | T | A | 0.1903 | |
| 46 | V | A | -0.1851 | |
| 47 | K | A | -1.5697 | |
| 48 | G | A | -1.0634 | |
| 49 | L | A | -0.6514 | |
| 50 | L | A | -1.0025 | |
| 51 | K | A | -1.3948 | |
| 52 | P | A | -0.9447 | |
| 53 | S | A | -0.1560 | |
| 54 | F | A | 0.3074 | |
| 55 | S | A | -0.5980 | |
| 56 | P | A | -1.3530 | |
| 57 | R | A | -2.0667 | |
| 58 | N | A | -0.9429 | |
| 59 | Y | A | -0.1630 | |
| 60 | K | A | -1.0524 | |
| 61 | A | A | 0.1577 | |
| 62 | L | A | 1.2379 | |
| 63 | S | A | 0.3207 | |
| 64 | E | A | 0.3347 | |
| 65 | V | A | 1.2336 | |
| 66 | Q | A | -0.5226 | |
| 67 | G | A | 0.0000 | |
| 68 | W | A | 0.1205 | |
| 69 | K | A | -0.8204 | |
| 70 | Q | A | 0.0000 | |
| 71 | R | A | -0.8146 | |
| 72 | M | A | -0.5249 | |
| 73 | A | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | K | A | -3.0338 | |
| 76 | E | A | -3.1501 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | R | A | -2.9448 | |
| 80 | Q | A | -2.0123 | |
| 81 | N | A | 0.0000 | |
| 82 | M | A | 0.0000 | |
| 83 | D | A | -1.5350 | |
| 84 | L | A | -0.7192 | |
| 85 | G | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | K | A | -1.6553 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | K | A | -1.2305 | |
| 91 | K | A | -0.7691 | |
| 92 | L | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | F | A | 1.5427 | |
| 95 | Y | A | 1.4643 | |
| 96 | N | A | 0.0906 | |
| 97 | P | A | -0.4261 | |
| 98 | G | A | -1.6165 | |
| 99 | R | A | -2.3066 | |
| 100 | N | A | -1.4150 | |
| 101 | I | A | -0.3885 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | S | A | 0.0000 | |
| 105 | P | A | 0.0000 | |
| 106 | L | A | 0.0000 | |
| 107 | S | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | S | A | 0.0000 | |
| 110 | T | A | 0.0000 | |
| 111 | A | A | 0.0000 | |
| 112 | F | A | 0.0000 | |
| 113 | S | A | 0.0000 | |
| 114 | M | A | 0.0000 | |
| 115 | L | A | 0.0000 | |
| 116 | C | A | 0.0000 | |
| 117 | L | A | -0.0537 | |
| 118 | G | A | 0.0000 | |
| 119 | A | A | 0.0000 | |
| 120 | Q | A | -2.8196 | |
| 121 | D | A | -2.9426 | |
| 122 | S | A | -2.3403 | |
| 123 | T | A | 0.0000 | |
| 124 | L | A | -1.8812 | |
| 125 | D | A | -2.9022 | |
| 126 | E | A | -2.8450 | |
| 127 | I | A | 0.0000 | |
| 128 | K | A | 0.0000 | |
| 129 | Q | A | -2.5772 | |
| 130 | G | A | 0.0000 | |
| 131 | F | A | 0.0000 | |
| 132 | N | A | -2.5126 | |
| 133 | F | A | 0.0000 | |
| 134 | R | A | -3.4313 | |
| 135 | K | A | -3.0205 | |
| 136 | M | A | -1.9231 | |
| 137 | P | A | -1.7170 | |
| 138 | E | A | -2.1124 | |
| 139 | K | A | -1.8821 | |
| 140 | D | A | -1.5718 | |
| 141 | L | A | 0.0000 | |
| 142 | H | A | 0.0000 | |
| 143 | E | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | H | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | E | A | -0.3195 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.4046 | |
| 154 | Q | A | 0.0000 | |
| 155 | K | A | -0.8500 | |
| 156 | T | A | -1.0660 | |
| 157 | Q | A | -1.4935 | |
| 158 | D | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | K | A | -1.4528 | |
| 161 | L | A | 0.0000 | |
| 162 | S | A | -0.5328 | |
| 163 | I | A | 0.0000 | |
| 164 | G | A | -0.4391 | |
| 165 | N | A | 0.0000 | |
| 166 | T | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | D | A | -1.7504 | |
| 171 | Q | A | -2.5983 | |
| 172 | R | A | -2.7980 | |
| 173 | L | A | 0.0000 | |
| 174 | Q | A | -2.4967 | |
| 175 | P | A | -2.2628 | |
| 176 | Q | A | -3.2909 | |
| 177 | R | A | -3.6762 | |
| 178 | K | A | -3.4060 | |
| 179 | F | A | -2.1455 | |
| 180 | L | A | -2.0709 | |
| 181 | E | A | -2.4215 | |
| 182 | D | A | -1.4809 | |
| 183 | A | A | 0.0000 | |
| 184 | K | A | -1.4567 | |
| 185 | N | A | -0.7655 | |
| 186 | F | A | 0.0000 | |
| 187 | Y | A | 0.0000 | |
| 188 | S | A | -0.7584 | |
| 189 | A | A | 0.0000 | |
| 190 | E | A | -0.7196 | |
| 191 | T | A | -0.0117 | |
| 192 | I | A | 0.4033 | |
| 193 | L | A | -0.3655 | |
| 194 | T | A | -1.1475 | |
| 195 | N | A | -2.3591 | |
| 196 | F | A | 0.0000 | |
| 197 | Q | A | -2.4517 | |
| 198 | N | A | -2.3779 | |
| 199 | L | A | -2.5679 | |
| 200 | E | A | -2.9432 | |
| 201 | M | A | -1.7533 | |
| 202 | A | A | 0.0000 | |
| 203 | Q | A | -2.7538 | |
| 204 | K | A | -2.9975 | |
| 205 | Q | A | -2.0064 | |
| 206 | I | A | 0.0000 | |
| 207 | N | A | 0.0000 | |
| 208 | D | A | -2.5039 | |
| 209 | F | A | -1.2332 | |
| 210 | I | A | 0.0000 | |
| 211 | S | A | -2.5568 | |
| 212 | Q | A | -2.6066 | |
| 213 | K | A | -2.3432 | |
| 214 | T | A | -2.2406 | |
| 215 | H | A | -2.3024 | |
| 216 | G | A | -2.4561 | |
| 217 | K | A | -2.7635 | |
| 218 | I | A | 0.0000 | |
| 219 | N | A | -2.8868 | |
| 220 | N | A | -2.7966 | |
| 221 | L | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | E | A | -3.1570 | |
| 224 | N | A | -2.9301 | |
| 225 | I | A | 0.0000 | |
| 226 | D | A | -2.3192 | |
| 227 | P | A | -1.7224 | |
| 228 | G | A | -1.1325 | |
| 229 | T | A | 0.0000 | |
| 230 | V | A | -0.6845 | |
| 231 | M | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | F | A | -0.6062 | |
| 239 | F | A | 0.0000 | |
| 240 | R | A | -1.5796 | |
| 241 | A | A | -1.6001 | |
| 242 | R | A | -2.4582 | |
| 243 | W | A | 0.0000 | |
| 244 | K | A | -2.7850 | |
| 245 | H | A | -3.4104 | |
| 246 | E | A | -3.6756 | |
| 247 | F | A | 0.0000 | |
| 248 | D | A | -2.6525 | |
| 249 | P | A | -1.9439 | |
| 250 | N | A | -1.6367 | |
| 251 | V | A | -0.7510 | |
| 252 | T | A | -2.1510 | |
| 253 | K | A | -3.3918 | |
| 254 | E | A | -4.0228 | |
| 255 | E | A | -3.8936 | |
| 256 | D | A | -2.5241 | |
| 257 | F | A | 0.0000 | |
| 258 | F | A | -0.9875 | |
| 259 | L | A | -0.7300 | |
| 260 | E | A | -2.8578 | |
| 261 | K | A | -3.3924 | |
| 262 | N | A | -2.5940 | |
| 263 | S | A | -1.3780 | |
| 264 | S | A | -0.7848 | |
| 265 | V | A | 0.2692 | |
| 266 | K | A | -2.4495 | |
| 267 | V | A | 0.0000 | |
| 268 | P | A | -2.6127 | |
| 269 | M | A | 0.0000 | |
| 270 | M | A | 0.0000 | |
| 271 | F | A | -0.9789 | |
| 272 | R | A | -2.1743 | |
| 273 | S | A | -0.8018 | |
| 274 | G | A | -1.3672 | |
| 275 | I | A | 0.0000 | |
| 276 | Y | A | -1.1285 | |
| 277 | Q | A | -1.5525 | |
| 278 | V | A | -0.4523 | |
| 279 | G | A | 0.0000 | |
| 280 | Y | A | 0.8842 | |
| 281 | D | A | -0.9877 | |
| 282 | D | A | -2.5495 | |
| 283 | K | A | -2.7172 | |
| 284 | L | A | -2.1169 | |
| 285 | S | A | -2.3048 | |
| 286 | C | A | 0.0000 | |
| 287 | T | A | -0.0259 | |
| 288 | I | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | E | A | -0.4608 | |
| 291 | I | A | -0.2348 | |
| 292 | P | A | -0.7198 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | -1.8843 | |
| 295 | K | A | 0.0000 | |
| 296 | N | A | -1.4983 | |
| 297 | I | A | 0.0000 | |
| 298 | T | A | -0.5462 | |
| 299 | A | A | 0.0000 | |
| 300 | I | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | D | A | -3.4115 | |
| 306 | E | A | -3.8930 | |
| 307 | G | A | -3.1959 | |
| 308 | K | A | -3.2878 | |
| 309 | L | A | -2.2791 | |
| 310 | K | A | -2.0683 | |
| 311 | H | A | -2.6828 | |
| 312 | L | A | 0.0000 | |
| 313 | E | A | 0.0000 | |
| 314 | K | A | -2.5981 | |
| 315 | G | A | -2.0299 | |
| 316 | L | A | 0.0000 | |
| 317 | Q | A | -2.4084 | |
| 318 | V | A | -2.0400 | |
| 319 | D | A | -2.8404 | |
| 320 | T | A | -2.3917 | |
| 321 | F | A | 0.0000 | |
| 322 | S | A | -2.0743 | |
| 323 | R | A | -2.7434 | |
| 324 | W | A | 0.0000 | |
| 325 | K | A | -1.7209 | |
| 326 | T | A | -0.6631 | |
| 327 | L | A | 0.7575 | |
| 328 | L | A | 0.0000 | |
| 329 | S | A | -1.3156 | |
| 330 | R | A | -2.8011 | |
| 331 | R | A | -2.5600 | |
| 332 | V | A | -0.8374 | |
| 333 | V | A | 0.0000 | |
| 334 | D | A | -0.5262 | |
| 335 | V | A | 0.0000 | |
| 336 | S | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | P | A | 0.0000 | |
| 339 | R | A | -1.9651 | |
| 340 | L | A | 0.0000 | |
| 341 | H | A | -1.6671 | |
| 342 | M | A | 0.0000 | |
| 343 | T | A | -0.8802 | |
| 344 | G | A | 0.0000 | |
| 345 | T | A | -0.6201 | |
| 346 | F | A | 0.0000 | |
| 347 | D | A | -2.5854 | |
| 348 | L | A | 0.0000 | |
| 349 | K | A | -1.9468 | |
| 350 | K | A | -2.3756 | |
| 351 | T | A | -1.3638 | |
| 352 | L | A | 0.0000 | |
| 353 | S | A | -0.3713 | |
| 354 | Y | A | 0.3966 | |
| 355 | I | A | -0.2850 | |
| 356 | G | A | -0.7370 | |
| 357 | V | A | 0.0000 | |
| 358 | S | A | -1.8051 | |
| 359 | K | A | -2.6470 | |
| 360 | I | A | 0.0000 | |
| 361 | F | A | 0.0000 | |
| 362 | E | A | -3.1975 | |
| 363 | E | A | -3.3907 | |
| 364 | H | A | -3.0250 | |
| 365 | G | A | -2.5259 | |
| 366 | D | A | -2.8987 | |
| 367 | L | A | 0.0000 | |
| 368 | T | A | -1.8523 | |
| 369 | K | A | -2.3249 | |
| 370 | I | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | P | A | -1.8448 | |
| 373 | H | A | -2.2634 | |
| 374 | R | A | -2.8740 | |
| 375 | S | A | -2.3227 | |
| 376 | L | A | 0.0000 | |
| 377 | K | A | -2.1991 | |
| 378 | V | A | 0.0000 | |
| 379 | G | A | -1.2443 | |
| 380 | E | A | -1.2659 | |
| 381 | A | A | 0.0000 | |
| 382 | V | A | 0.0000 | |
| 383 | H | A | 0.0000 | |
| 384 | K | A | -0.7373 | |
| 385 | A | A | 0.0000 | |
| 386 | E | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | K | A | -1.6973 | |
| 389 | M | A | 0.0000 | |
| 390 | D | A | -2.4789 | |
| 391 | E | A | -2.8328 | |
| 392 | R | A | -3.3616 | |
| 393 | G | A | 0.0000 | |
| 394 | T | A | -2.7224 | |
| 395 | E | A | -2.8783 | |
| 396 | G | A | -1.7596 | |
| 397 | A | A | -1.1716 | |
| 398 | A | A | -0.5471 | |
| 399 | G | A | -0.7997 | |
| 400 | T | A | -0.7432 | |
| 401 | G | A | -1.1946 | |
| 402 | A | A | -0.8240 | |
| 403 | Q | A | -1.3192 | |
| 404 | T | A | -0.1937 | |
| 405 | L | A | 0.5084 | |
| 406 | P | A | 0.1756 | |
| 407 | M | A | 0.2529 | |
| 408 | E | A | -1.2408 | |
| 409 | T | A | -0.2656 | |
| 410 | P | A | -0.0152 | |
| 411 | L | A | 0.6222 | |
| 412 | V | A | 1.3976 | |
| 413 | V | A | 0.0000 | |
| 414 | K | A | -1.2624 | |
| 415 | I | A | 0.0000 | |
| 416 | D | A | -1.2733 | |
| 417 | K | A | -1.4883 | |
| 418 | P | A | -0.6290 | |
| 419 | Y | A | -0.1635 | |
| 420 | L | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | L | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | Y | A | -0.4243 | |
| 425 | S | A | 0.0000 | |
| 426 | E | A | -2.2518 | |
| 427 | K | A | -2.0232 | |
| 428 | I | A | 0.0000 | |
| 429 | P | A | -1.9093 | |
| 430 | S | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | F | A | 0.0000 | |
| 434 | L | A | 0.0000 | |
| 435 | G | A | 0.0000 | |
| 436 | K | A | 0.0000 | |
| 437 | I | A | 0.0000 | |
| 438 | V | A | -0.4766 | |
| 439 | N | A | -0.0340 | |
| 440 | P | A | 0.0000 | |
| 441 | I | A | 0.4073 | |
| 442 | G | A | -0.5855 | |
| 443 | K | A | -1.8695 |
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