| Chain sequence(s) |
A: LKPSFSPRNYKALSEVQGWKQRMAAKELARQNMDLGFKLLKKLAFYNPGRNIFLSPLSISTAFSMLCLGAQDSTLDEIKQGFNFRKMPEKDLHEGFHYIIHELTQKTQDLKLSIGNTLFIDQRLQPQRKFLEDAKNFYSAETILTNFQNLEMAQKQINDFISQKTHGKINNLIENIDPGTVMLLANYIFFRARWKHEFDPNVTKEEDFFLEKNSSVKVPMMFRSGIYQVGYDDKLSCTILEIPYQKNITAIFILPDEGKLKHLEKGLQVDTFSRWKTLLSRRVVDVSVPRLHMTGTFDLKKTLSYIGVSKIFEEHGDLTKIAPHRSLKVGEAVHKAELKMDERGTEGAAGTGAQTLPMETPLVVKIDKPYLLLIYSEKIPSVLFLGKIVNPIGK
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 (00:23:05)
[INFO] Main: Simulation completed successfully. (00:23:08)
|
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 | |
| 21 | L | A | -0.0124 | |
| 22 | K | A | -1.5595 | |
| 23 | P | A | -0.9812 | |
| 24 | S | A | -0.0030 | |
| 25 | F | A | 1.1537 | |
| 26 | S | A | -0.1486 | |
| 27 | P | A | -0.8692 | |
| 28 | R | A | -2.3431 | |
| 29 | N | A | -2.0686 | |
| 30 | Y | A | -0.6406 | |
| 31 | K | A | -2.0449 | |
| 32 | A | A | -1.8249 | |
| 33 | L | A | -0.9001 | |
| 34 | S | A | -1.2149 | |
| 35 | E | A | -1.6452 | |
| 36 | V | A | 0.1138 | |
| 37 | Q | A | -0.8717 | |
| 38 | G | A | 0.0000 | |
| 39 | W | A | -0.2652 | |
| 40 | K | A | -1.9708 | |
| 41 | Q | A | -1.4784 | |
| 42 | R | A | -1.6688 | |
| 43 | M | A | -1.3461 | |
| 44 | A | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | K | A | -2.9137 | |
| 47 | E | A | -2.5764 | |
| 48 | L | A | 0.0000 | |
| 49 | A | A | 0.0000 | |
| 50 | R | A | -2.7214 | |
| 51 | Q | A | -1.8741 | |
| 52 | N | A | 0.0000 | |
| 53 | M | A | -1.0913 | |
| 54 | D | A | -1.6554 | |
| 55 | L | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | K | A | -2.0406 | |
| 59 | L | A | 0.0000 | |
| 60 | L | A | 0.0000 | |
| 61 | K | A | -1.5240 | |
| 62 | K | A | -1.2445 | |
| 63 | L | A | -0.2433 | |
| 64 | A | A | 0.0000 | |
| 65 | F | A | 1.3525 | |
| 66 | Y | A | 1.3848 | |
| 67 | N | A | -0.0841 | |
| 68 | P | A | -0.4755 | |
| 69 | G | A | -1.4779 | |
| 70 | R | A | -2.4329 | |
| 71 | N | A | -1.4857 | |
| 72 | I | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | L | A | 0.0000 | |
| 75 | S | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | I | A | 0.2055 | |
| 80 | S | A | 0.0000 | |
| 81 | T | A | 0.0000 | |
| 82 | A | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | S | A | 0.0000 | |
| 85 | M | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | L | A | 0.0000 | |
| 89 | G | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | Q | A | -2.5909 | |
| 92 | D | A | -2.9964 | |
| 93 | S | A | -2.4531 | |
| 94 | T | A | 0.0000 | |
| 95 | L | A | -2.1494 | |
| 96 | D | A | -3.1219 | |
| 97 | E | A | -2.7878 | |
| 98 | I | A | 0.0000 | |
| 99 | K | A | 0.0000 | |
| 100 | Q | A | -2.7811 | |
| 101 | G | A | -1.4979 | |
| 102 | F | A | 0.0000 | |
| 103 | N | A | -2.2281 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -3.2369 | |
| 106 | K | A | -3.0500 | |
| 107 | M | A | -2.1868 | |
| 108 | P | A | -2.1456 | |
| 109 | E | A | -2.3537 | |
| 110 | K | A | -2.9015 | |
| 111 | D | A | -2.8774 | |
| 112 | L | A | 0.0000 | |
| 113 | H | A | 0.0000 | |
| 114 | E | A | -1.9768 | |
| 115 | G | A | 0.0000 | |
| 116 | F | A | 0.0000 | |
| 117 | H | A | -1.0549 | |
| 118 | Y | A | -0.8268 | |
| 119 | I | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | H | A | -1.6678 | |
| 122 | E | A | -1.9969 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | -1.4820 | |
| 125 | Q | A | -2.2261 | |
| 126 | K | A | -2.5812 | |
| 127 | T | A | -1.9135 | |
| 128 | Q | A | -2.0088 | |
| 129 | D | A | -2.2202 | |
| 130 | L | A | 0.0000 | |
| 131 | K | A | -1.8492 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | -0.7793 | |
| 134 | I | A | -0.0693 | |
| 135 | G | A | -0.4999 | |
| 136 | N | A | 0.0000 | |
| 137 | T | A | -0.1283 | |
| 138 | L | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | I | A | 0.0000 | |
| 141 | D | A | -1.7540 | |
| 142 | Q | A | -2.5052 | |
| 143 | R | A | -2.8125 | |
| 144 | L | A | 0.0000 | |
| 145 | Q | A | -2.5106 | |
| 146 | P | A | -2.2768 | |
| 147 | Q | A | -3.3824 | |
| 148 | R | A | -3.7241 | |
| 149 | K | A | -3.4350 | |
| 150 | F | A | -2.3238 | |
| 151 | L | A | -2.2670 | |
| 152 | E | A | -2.6161 | |
| 153 | D | A | 0.0000 | |
| 154 | A | A | -1.3915 | |
| 155 | K | A | -1.7792 | |
| 156 | N | A | -1.7489 | |
| 157 | F | A | 0.0000 | |
| 158 | Y | A | 0.0000 | |
| 159 | S | A | -1.1760 | |
| 160 | A | A | 0.0000 | |
| 161 | E | A | -0.9827 | |
| 162 | T | A | 0.0670 | |
| 163 | I | A | 0.6626 | |
| 164 | L | A | -0.1207 | |
| 165 | T | A | 0.0000 | |
| 166 | N | A | -2.3686 | |
| 167 | F | A | 0.0000 | |
| 168 | Q | A | -2.3669 | |
| 169 | N | A | -2.1467 | |
| 170 | L | A | -2.3926 | |
| 171 | E | A | -2.7389 | |
| 172 | M | A | -1.4735 | |
| 173 | A | A | 0.0000 | |
| 174 | Q | A | -2.9308 | |
| 175 | K | A | -3.2954 | |
| 176 | Q | A | -2.6573 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -2.8962 | |
| 179 | D | A | -3.3696 | |
| 180 | F | A | -1.8241 | |
| 181 | I | A | 0.0000 | |
| 182 | S | A | -2.6915 | |
| 183 | Q | A | -2.8859 | |
| 184 | K | A | -2.8308 | |
| 185 | T | A | -2.1735 | |
| 186 | H | A | -2.2181 | |
| 187 | G | A | -2.0434 | |
| 188 | K | A | -1.6902 | |
| 189 | I | A | 0.0000 | |
| 190 | N | A | -2.1991 | |
| 191 | N | A | -2.7070 | |
| 192 | L | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | E | A | -3.1822 | |
| 195 | N | A | -2.9336 | |
| 196 | I | A | 0.0000 | |
| 197 | D | A | -2.3563 | |
| 198 | P | A | -1.7319 | |
| 199 | G | A | -1.1749 | |
| 200 | T | A | 0.0000 | |
| 201 | V | A | -0.8365 | |
| 202 | M | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | A | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | F | A | -0.3181 | |
| 210 | F | A | 0.0000 | |
| 211 | R | A | -1.8026 | |
| 212 | A | A | -2.0155 | |
| 213 | R | A | -2.5924 | |
| 214 | W | A | 0.0000 | |
| 215 | K | A | -3.0965 | |
| 216 | H | A | -2.6045 | |
| 217 | E | A | -2.9475 | |
| 218 | F | A | 0.0000 | |
| 219 | D | A | -2.4331 | |
| 220 | P | A | -1.9238 | |
| 221 | N | A | -1.6438 | |
| 222 | V | A | -0.5821 | |
| 223 | T | A | -1.8836 | |
| 224 | K | A | -3.4577 | |
| 225 | E | A | -4.3144 | |
| 226 | E | A | -4.4679 | |
| 227 | D | A | -3.5175 | |
| 228 | F | A | 0.0000 | |
| 229 | F | A | -1.6029 | |
| 230 | L | A | -0.9810 | |
| 231 | E | A | -2.9818 | |
| 232 | K | A | -3.4734 | |
| 233 | N | A | -2.6359 | |
| 234 | S | A | -1.6718 | |
| 235 | S | A | -1.4273 | |
| 236 | V | A | -0.5964 | |
| 237 | K | A | -2.9594 | |
| 238 | V | A | 0.0000 | |
| 239 | P | A | -2.3394 | |
| 240 | M | A | 0.0000 | |
| 241 | M | A | 0.0000 | |
| 242 | F | A | -0.2121 | |
| 243 | R | A | -0.7379 | |
| 244 | S | A | -0.1020 | |
| 245 | G | A | -0.6485 | |
| 246 | I | A | -1.0935 | |
| 247 | Y | A | 0.0000 | |
| 248 | Q | A | -1.4812 | |
| 249 | V | A | -0.3587 | |
| 250 | G | A | 0.0000 | |
| 251 | Y | A | 0.9682 | |
| 252 | D | A | -0.9368 | |
| 253 | D | A | -2.3896 | |
| 254 | K | A | -2.7403 | |
| 255 | L | A | -2.0297 | |
| 256 | S | A | -2.0610 | |
| 257 | C | A | 0.0000 | |
| 258 | T | A | 0.0309 | |
| 259 | I | A | 0.0000 | |
| 260 | L | A | 0.0000 | |
| 261 | E | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | P | A | -1.3388 | |
| 264 | Y | A | 0.0000 | |
| 265 | Q | A | -2.4213 | |
| 266 | K | A | -2.6325 | |
| 267 | N | A | -2.9701 | |
| 268 | I | A | 0.0000 | |
| 269 | T | A | -0.9141 | |
| 270 | A | A | 0.0000 | |
| 271 | I | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | I | A | 0.0000 | |
| 274 | L | A | -0.6670 | |
| 275 | P | A | 0.0000 | |
| 276 | D | A | -3.2159 | |
| 277 | E | A | -3.6054 | |
| 278 | G | A | -2.8761 | |
| 279 | K | A | -2.7188 | |
| 280 | L | A | -2.0656 | |
| 281 | K | A | -2.2732 | |
| 282 | H | A | -2.7529 | |
| 283 | L | A | 0.0000 | |
| 284 | E | A | 0.0000 | |
| 285 | K | A | -2.5639 | |
| 286 | G | A | -1.9829 | |
| 287 | L | A | 0.0000 | |
| 288 | Q | A | -2.2922 | |
| 289 | V | A | 0.0000 | |
| 290 | D | A | -2.8225 | |
| 291 | T | A | -2.3556 | |
| 292 | F | A | 0.0000 | |
| 293 | S | A | -1.9790 | |
| 294 | R | A | -2.6204 | |
| 295 | W | A | 0.0000 | |
| 296 | K | A | -1.2737 | |
| 297 | T | A | -0.4720 | |
| 298 | L | A | 0.7834 | |
| 299 | L | A | -0.2624 | |
| 300 | S | A | -1.0788 | |
| 301 | R | A | -2.7241 | |
| 302 | R | A | -2.3245 | |
| 303 | V | A | -0.3549 | |
| 304 | V | A | 0.0000 | |
| 305 | D | A | -0.0865 | |
| 306 | V | A | 0.0000 | |
| 307 | S | A | -0.8102 | |
| 308 | V | A | 0.0000 | |
| 309 | P | A | 0.0000 | |
| 310 | R | A | -1.1838 | |
| 311 | L | A | 0.0000 | |
| 312 | H | A | -1.5605 | |
| 313 | M | A | 0.0000 | |
| 314 | T | A | -0.9211 | |
| 315 | G | A | -0.4019 | |
| 316 | T | A | -0.5984 | |
| 317 | F | A | -1.1319 | |
| 318 | D | A | -2.5429 | |
| 319 | L | A | 0.0000 | |
| 320 | K | A | -2.2882 | |
| 321 | K | A | -2.5467 | |
| 322 | T | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | S | A | -0.7616 | |
| 325 | Y | A | -0.6220 | |
| 326 | I | A | -0.6427 | |
| 327 | G | A | -0.9902 | |
| 328 | V | A | 0.0000 | |
| 329 | S | A | -1.7914 | |
| 330 | K | A | -2.8622 | |
| 331 | I | A | 0.0000 | |
| 332 | F | A | -1.8320 | |
| 333 | E | A | -3.3351 | |
| 334 | E | A | -3.7904 | |
| 335 | H | A | -3.3726 | |
| 336 | G | A | -2.7716 | |
| 337 | D | A | -2.8955 | |
| 338 | L | A | 0.0000 | |
| 339 | T | A | -1.9548 | |
| 340 | K | A | -2.6615 | |
| 341 | I | A | 0.0000 | |
| 342 | A | A | 0.0000 | |
| 343 | P | A | -1.9017 | |
| 344 | H | A | -2.2264 | |
| 345 | R | A | -2.9211 | |
| 346 | S | A | -2.4167 | |
| 347 | L | A | 0.0000 | |
| 348 | K | A | 0.0000 | |
| 349 | V | A | 0.0000 | |
| 350 | G | A | -1.3053 | |
| 351 | E | A | -1.3677 | |
| 352 | A | A | 0.0000 | |
| 353 | V | A | 0.0000 | |
| 354 | H | A | 0.0000 | |
| 355 | K | A | -0.6211 | |
| 356 | A | A | 0.0000 | |
| 357 | E | A | -0.7831 | |
| 358 | L | A | 0.0000 | |
| 359 | K | A | -1.8597 | |
| 360 | M | A | 0.0000 | |
| 361 | D | A | -2.5856 | |
| 362 | E | A | 0.0000 | |
| 363 | R | A | -3.2171 | |
| 364 | G | A | 0.0000 | |
| 365 | T | A | -2.4744 | |
| 366 | E | A | -2.7643 | |
| 367 | G | A | -1.6551 | |
| 368 | A | A | -0.9847 | |
| 369 | A | A | -0.5038 | |
| 370 | G | A | -0.6042 | |
| 371 | T | A | -0.8425 | |
| 372 | G | A | -0.7675 | |
| 373 | A | A | -0.4024 | |
| 374 | Q | A | -0.8779 | |
| 375 | T | A | 0.0748 | |
| 376 | L | A | 0.3593 | |
| 377 | P | A | 0.1140 | |
| 378 | M | A | 0.2651 | |
| 379 | E | A | -1.2004 | |
| 380 | T | A | -0.3764 | |
| 381 | P | A | 0.2198 | |
| 382 | L | A | 0.8329 | |
| 383 | V | A | 1.4750 | |
| 384 | V | A | 0.0000 | |
| 385 | K | A | -1.3409 | |
| 386 | I | A | 0.0000 | |
| 387 | D | A | -1.5774 | |
| 388 | K | A | -1.7660 | |
| 389 | P | A | -0.6988 | |
| 390 | Y | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | I | A | 0.0000 | |
| 395 | Y | A | -0.5559 | |
| 396 | S | A | 0.0000 | |
| 397 | E | A | -2.5924 | |
| 398 | K | A | -3.2113 | |
| 399 | I | A | 0.0000 | |
| 400 | P | A | -2.0797 | |
| 401 | S | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | F | A | 0.0000 | |
| 405 | L | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | K | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | V | A | -0.4815 | |
| 410 | N | A | -0.1421 | |
| 411 | P | A | 0.0000 | |
| 412 | I | A | 1.0705 | |
| 413 | G | A | -0.5133 | |
| 414 | K | A | -1.7950 |
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