| Chain sequence(s) |
A: MVFVLAYIESKYLKEDGKMPEMFELHNNATIGELKQKLEVKVGLPLARLNVQSFHKSLENDEFITNLLRIPDKSDYTYPSTTLNGTAFSLYHENSFVGFLQFYTIPEGKSQLDFLNMPKSSMLLPVDRLPQFCEASNSQDSSASSASNQTNASFESASTSASSVARKTRVCASDEESAAKRIRSNQENSVVKVVPQQNLLADKRAGSMASIFGSKIHLMNCCKTETSRTSCSVEQAEECKERKKDCCTPKNCRKRDTRPPYANTMPENRRYALVITNQSSCSDGVDTIALMEHFHSIFEDSGSSVSDLNFSECASTQTFDCNMLVVCEDNETAQWVIEAVEGVEPPHSCQPFIKFFDLVRTTFVLPLVSPNKSLCVIFALLESQNPGLNTDRWAVVNRSTLDCQDVERQVAQFCDNVLIEVYIDEDSRDFIADRCSKLRYCFWQLKFDFI
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 (00:04:50)
[INFO] Main: Simulation completed successfully. (00:04:53)
|
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 | -0.0113 | |
| 2 | V | A | 0.0000 | |
| 3 | F | A | 0.0000 | |
| 4 | V | A | 0.0000 | |
| 5 | L | A | 0.0000 | |
| 6 | A | A | 0.0000 | |
| 7 | Y | A | 0.0724 | |
| 8 | I | A | -0.4781 | |
| 9 | E | A | -1.2066 | |
| 10 | S | A | -2.4924 | |
| 11 | K | A | -2.6735 | |
| 12 | Y | A | -1.7862 | |
| 13 | L | A | -2.7420 | |
| 14 | K | A | -3.5479 | |
| 15 | E | A | -4.0635 | |
| 16 | D | A | -3.8080 | |
| 17 | G | A | -2.4474 | |
| 18 | K | A | -2.5747 | |
| 19 | M | A | -0.7152 | |
| 20 | P | A | -0.4505 | |
| 21 | E | A | -0.7798 | |
| 22 | M | A | -0.4459 | |
| 23 | F | A | 0.0000 | |
| 24 | E | A | -0.9310 | |
| 25 | L | A | 0.0000 | |
| 26 | H | A | -1.6790 | |
| 27 | N | A | -1.6015 | |
| 28 | N | A | -1.6911 | |
| 29 | A | A | 0.0000 | |
| 30 | T | A | -1.9798 | |
| 31 | I | A | 0.0000 | |
| 32 | G | A | -2.1304 | |
| 33 | E | A | -2.2150 | |
| 34 | L | A | 0.0000 | |
| 35 | K | A | 0.0000 | |
| 36 | Q | A | -1.3422 | |
| 37 | K | A | -1.1828 | |
| 38 | L | A | 0.0000 | |
| 39 | E | A | -0.6884 | |
| 40 | V | A | 0.6693 | |
| 41 | K | A | -0.8127 | |
| 42 | V | A | 0.0000 | |
| 43 | G | A | -0.4536 | |
| 44 | L | A | -0.3245 | |
| 45 | P | A | -0.4824 | |
| 46 | L | A | -0.6917 | |
| 47 | A | A | -1.0559 | |
| 48 | R | A | -2.4337 | |
| 49 | L | A | 0.0000 | |
| 50 | N | A | -1.6969 | |
| 51 | V | A | 0.0000 | |
| 52 | Q | A | -0.7171 | |
| 53 | S | A | 0.0702 | |
| 54 | F | A | 1.1109 | |
| 55 | H | A | -0.7172 | |
| 56 | K | A | -1.6333 | |
| 57 | S | A | -1.4157 | |
| 58 | L | A | 0.0000 | |
| 59 | E | A | -3.1381 | |
| 60 | N | A | -3.0050 | |
| 61 | D | A | -2.9450 | |
| 62 | E | A | -1.9537 | |
| 63 | F | A | -0.9618 | |
| 64 | I | A | 0.0000 | |
| 65 | T | A | -1.6048 | |
| 66 | N | A | -1.9799 | |
| 67 | L | A | -0.7080 | |
| 68 | L | A | 0.0000 | |
| 69 | R | A | -2.3213 | |
| 70 | I | A | -1.7046 | |
| 71 | P | A | -2.1073 | |
| 72 | D | A | -3.3114 | |
| 73 | K | A | -2.7600 | |
| 74 | S | A | -1.8811 | |
| 75 | D | A | -1.4662 | |
| 76 | Y | A | 0.2801 | |
| 77 | T | A | 0.6797 | |
| 78 | Y | A | 1.1767 | |
| 79 | P | A | 0.3405 | |
| 80 | S | A | 0.1705 | |
| 81 | T | A | -0.4515 | |
| 82 | T | A | -0.7325 | |
| 83 | L | A | -0.8213 | |
| 84 | N | A | -1.4439 | |
| 85 | G | A | -0.5191 | |
| 86 | T | A | -0.6635 | |
| 87 | A | A | 0.0232 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | 0.4801 | |
| 90 | L | A | 0.0000 | |
| 91 | Y | A | -0.7980 | |
| 92 | H | A | -1.7006 | |
| 93 | E | A | -2.8947 | |
| 94 | N | A | -2.2522 | |
| 95 | S | A | -0.9094 | |
| 96 | F | A | 0.2106 | |
| 97 | V | A | 0.0000 | |
| 98 | G | A | 0.0000 | |
| 99 | F | A | 0.3802 | |
| 100 | L | A | 0.0000 | |
| 101 | Q | A | -0.1515 | |
| 102 | F | A | 0.0000 | |
| 103 | Y | A | -0.4915 | |
| 104 | T | A | -0.2539 | |
| 105 | I | A | 0.0159 | |
| 106 | P | A | -0.7178 | |
| 107 | E | A | -1.2804 | |
| 108 | G | A | 0.0000 | |
| 109 | K | A | -1.9157 | |
| 110 | S | A | -1.5151 | |
| 111 | Q | A | -1.0301 | |
| 112 | L | A | -1.2219 | |
| 113 | D | A | -2.0292 | |
| 114 | F | A | -0.5133 | |
| 115 | L | A | -0.7658 | |
| 116 | N | A | -1.5183 | |
| 117 | M | A | -0.7163 | |
| 118 | P | A | -0.9387 | |
| 119 | K | A | -1.3645 | |
| 120 | S | A | -0.4033 | |
| 121 | S | A | 0.2143 | |
| 122 | M | A | 0.6931 | |
| 123 | L | A | 2.1001 | |
| 124 | L | A | 2.1900 | |
| 125 | P | A | 0.8420 | |
| 126 | V | A | 1.2214 | |
| 127 | D | A | -1.2870 | |
| 128 | R | A | -1.7987 | |
| 129 | L | A | 0.2927 | |
| 130 | P | A | -0.1644 | |
| 131 | Q | A | -0.4148 | |
| 132 | F | A | 1.4743 | |
| 133 | C | A | 0.5837 | |
| 134 | E | A | -1.3164 | |
| 135 | A | A | -0.8694 | |
| 136 | S | A | -1.2552 | |
| 137 | N | A | -1.9114 | |
| 138 | S | A | -1.9013 | |
| 139 | Q | A | -2.5262 | |
| 140 | D | A | -2.5766 | |
| 141 | S | A | -1.5066 | |
| 142 | S | A | -0.7553 | |
| 143 | A | A | -0.2541 | |
| 144 | S | A | -0.3149 | |
| 145 | S | A | -0.4489 | |
| 146 | A | A | -0.5286 | |
| 147 | S | A | -1.1683 | |
| 148 | N | A | -1.9794 | |
| 149 | Q | A | -2.1739 | |
| 150 | T | A | -1.6294 | |
| 151 | N | A | -1.5998 | |
| 152 | A | A | -0.2486 | |
| 153 | S | A | 0.0592 | |
| 154 | F | A | 0.7775 | |
| 155 | E | A | -0.8820 | |
| 156 | S | A | -0.7065 | |
| 157 | A | A | -0.4072 | |
| 158 | S | A | -0.5801 | |
| 159 | T | A | -0.2749 | |
| 160 | S | A | -0.3004 | |
| 161 | A | A | -0.2152 | |
| 162 | S | A | 0.0133 | |
| 163 | S | A | 0.5272 | |
| 164 | V | A | 1.2987 | |
| 165 | A | A | -0.2385 | |
| 166 | R | A | -2.4082 | |
| 167 | K | A | -3.0714 | |
| 168 | T | A | -1.7870 | |
| 169 | R | A | -1.0746 | |
| 170 | V | A | 1.1306 | |
| 171 | C | A | 1.1526 | |
| 172 | A | A | 0.3052 | |
| 173 | S | A | -1.3739 | |
| 174 | D | A | -3.1360 | |
| 175 | E | A | -3.7399 | |
| 176 | E | A | -3.2831 | |
| 177 | S | A | -1.4748 | |
| 178 | A | A | -0.7738 | |
| 179 | A | A | -1.2502 | |
| 180 | K | A | -2.1448 | |
| 181 | R | A | -2.0482 | |
| 182 | I | A | -0.2945 | |
| 183 | R | A | -1.5863 | |
| 184 | S | A | -1.6594 | |
| 185 | N | A | -2.7908 | |
| 186 | Q | A | -3.1365 | |
| 187 | E | A | -3.4294 | |
| 188 | N | A | -2.1154 | |
| 189 | S | A | -0.0691 | |
| 190 | V | A | 1.8548 | |
| 191 | V | A | 2.0533 | |
| 192 | K | A | 0.8289 | |
| 193 | V | A | 2.1295 | |
| 194 | V | A | 1.8807 | |
| 195 | P | A | 0.2202 | |
| 196 | Q | A | -1.8500 | |
| 197 | Q | A | -2.2168 | |
| 198 | N | A | -1.0524 | |
| 199 | L | A | 1.5498 | |
| 200 | L | A | 1.7903 | |
| 201 | A | A | -0.2569 | |
| 202 | D | A | -2.6091 | |
| 203 | K | A | -3.5349 | |
| 204 | R | A | -3.2165 | |
| 205 | A | A | -1.4774 | |
| 206 | G | A | -0.7274 | |
| 207 | S | A | 0.0959 | |
| 208 | M | A | 0.8373 | |
| 209 | A | A | 0.8893 | |
| 210 | S | A | 1.4862 | |
| 211 | I | A | 2.7498 | |
| 212 | F | A | 2.5847 | |
| 213 | G | A | 0.4490 | |
| 214 | S | A | -0.3825 | |
| 215 | K | A | -1.1612 | |
| 216 | I | A | 0.9548 | |
| 217 | H | A | 0.4026 | |
| 218 | L | A | 1.5091 | |
| 219 | M | A | 0.9809 | |
| 220 | N | A | 0.0533 | |
| 221 | C | A | 0.2831 | |
| 222 | C | A | -0.0354 | |
| 223 | K | A | -1.6631 | |
| 224 | T | A | -1.7666 | |
| 225 | E | A | -2.5123 | |
| 226 | T | A | -1.5209 | |
| 227 | S | A | -1.6165 | |
| 228 | R | A | -2.1637 | |
| 229 | T | A | -0.9740 | |
| 230 | S | A | -0.2114 | |
| 231 | C | A | 0.5677 | |
| 232 | S | A | 0.2099 | |
| 233 | V | A | 0.6497 | |
| 234 | E | A | -1.7546 | |
| 235 | Q | A | -2.3197 | |
| 236 | A | A | -1.9871 | |
| 237 | E | A | -3.2516 | |
| 238 | E | A | -3.1219 | |
| 239 | C | A | -3.1816 | |
| 240 | K | A | -3.7886 | |
| 241 | E | A | -3.9260 | |
| 242 | R | A | -4.3064 | |
| 243 | K | A | -4.2076 | |
| 244 | K | A | -3.7038 | |
| 245 | D | A | -2.7772 | |
| 246 | C | A | -1.9621 | |
| 247 | C | A | 0.0000 | |
| 248 | T | A | -1.1520 | |
| 249 | P | A | -2.2395 | |
| 250 | K | A | -2.6185 | |
| 251 | N | A | -2.6460 | |
| 252 | C | A | -2.5793 | |
| 253 | R | A | -3.4621 | |
| 254 | K | A | -3.8813 | |
| 255 | R | A | -3.4581 | |
| 256 | D | A | -2.4631 | |
| 257 | T | A | -1.5139 | |
| 258 | R | A | -1.4524 | |
| 259 | P | A | -1.0573 | |
| 260 | P | A | -0.8191 | |
| 261 | Y | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | N | A | -0.6609 | |
| 264 | T | A | 0.0000 | |
| 265 | M | A | -0.4451 | |
| 266 | P | A | 0.0000 | |
| 267 | E | A | -1.0028 | |
| 268 | N | A | -0.7895 | |
| 269 | R | A | 0.0000 | |
| 270 | R | A | -1.2201 | |
| 271 | Y | A | -1.0611 | |
| 272 | A | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | I | A | 0.0000 | |
| 276 | T | A | -0.5574 | |
| 277 | N | A | -1.2558 | |
| 278 | Q | A | -1.5338 | |
| 279 | S | A | -1.1345 | |
| 280 | S | A | -0.5206 | |
| 281 | C | A | -0.0316 | |
| 282 | S | A | -0.9604 | |
| 283 | D | A | -1.9635 | |
| 284 | G | A | -1.3200 | |
| 285 | V | A | -0.6123 | |
| 286 | D | A | -0.4064 | |
| 287 | T | A | 0.4821 | |
| 288 | I | A | 1.4538 | |
| 289 | A | A | -0.2929 | |
| 290 | L | A | 0.0000 | |
| 291 | M | A | -0.1520 | |
| 292 | E | A | -1.4516 | |
| 293 | H | A | -1.3287 | |
| 294 | F | A | -0.8663 | |
| 295 | H | A | -2.0050 | |
| 296 | S | A | -1.8674 | |
| 297 | I | A | -1.3475 | |
| 298 | F | A | -1.1179 | |
| 299 | E | A | -2.9024 | |
| 300 | D | A | -2.8246 | |
| 301 | S | A | -1.6727 | |
| 302 | G | A | -1.3572 | |
| 303 | S | A | -0.8310 | |
| 304 | S | A | -0.2470 | |
| 305 | V | A | 0.9087 | |
| 306 | S | A | -0.4329 | |
| 307 | D | A | -1.6834 | |
| 308 | L | A | -1.1063 | |
| 309 | N | A | -1.8232 | |
| 310 | F | A | -0.7437 | |
| 311 | S | A | 0.0000 | |
| 312 | E | A | -2.3305 | |
| 313 | C | A | -1.6795 | |
| 314 | A | A | 0.0000 | |
| 315 | S | A | -0.6509 | |
| 316 | T | A | -0.3728 | |
| 317 | Q | A | -0.5794 | |
| 318 | T | A | -0.5992 | |
| 319 | F | A | 0.0000 | |
| 320 | D | A | -1.8636 | |
| 321 | C | A | -1.0446 | |
| 322 | N | A | 0.0000 | |
| 323 | M | A | 0.0000 | |
| 324 | L | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | C | A | 0.0000 | |
| 328 | E | A | -2.3531 | |
| 329 | D | A | -2.1883 | |
| 330 | N | A | -2.3886 | |
| 331 | E | A | -3.0026 | |
| 332 | T | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | Q | A | -2.0126 | |
| 335 | W | A | -1.2805 | |
| 336 | V | A | 0.0000 | |
| 337 | I | A | -1.3443 | |
| 338 | E | A | -2.4841 | |
| 339 | A | A | 0.0000 | |
| 340 | V | A | 0.0000 | |
| 341 | E | A | -2.8398 | |
| 342 | G | A | -2.0667 | |
| 343 | V | A | 0.0000 | |
| 344 | E | A | -2.5483 | |
| 345 | P | A | -1.6704 | |
| 346 | P | A | -1.8728 | |
| 347 | H | A | 0.0000 | |
| 348 | S | A | -0.8268 | |
| 349 | C | A | 0.0000 | |
| 350 | Q | A | -0.5717 | |
| 351 | P | A | -0.8342 | |
| 352 | F | A | 0.0000 | |
| 353 | I | A | -0.9395 | |
| 354 | K | A | -1.8005 | |
| 355 | F | A | -0.5225 | |
| 356 | F | A | -0.9118 | |
| 357 | D | A | -2.2541 | |
| 358 | L | A | 0.0000 | |
| 359 | V | A | -0.5404 | |
| 360 | R | A | -0.1702 | |
| 361 | T | A | 0.0000 | |
| 362 | T | A | -0.4662 | |
| 363 | F | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | P | A | 0.0000 | |
| 367 | L | A | -0.1948 | |
| 368 | V | A | 0.3311 | |
| 369 | S | A | -0.7010 | |
| 370 | P | A | -1.2514 | |
| 371 | N | A | -2.1424 | |
| 372 | K | A | -2.0266 | |
| 373 | S | A | -1.4803 | |
| 374 | L | A | 0.0000 | |
| 375 | C | A | 0.0000 | |
| 376 | V | A | 0.1914 | |
| 377 | I | A | 0.0000 | |
| 378 | F | A | 0.0000 | |
| 379 | A | A | 0.0321 | |
| 380 | L | A | 0.1288 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -1.1002 | |
| 383 | S | A | -0.8227 | |
| 384 | Q | A | -0.9619 | |
| 385 | N | A | 0.0000 | |
| 386 | P | A | -0.8478 | |
| 387 | G | A | -1.0958 | |
| 388 | L | A | 0.0000 | |
| 389 | N | A | -1.4202 | |
| 390 | T | A | 0.0000 | |
| 391 | D | A | 0.0000 | |
| 392 | R | A | -0.4837 | |
| 393 | W | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | V | A | 0.0000 | |
| 396 | V | A | -1.1593 | |
| 397 | N | A | -2.1972 | |
| 398 | R | A | -2.4433 | |
| 399 | S | A | -1.4776 | |
| 400 | T | A | -0.9489 | |
| 401 | L | A | -1.2000 | |
| 402 | D | A | -1.7752 | |
| 403 | C | A | -0.8426 | |
| 404 | Q | A | -1.4363 | |
| 405 | D | A | -1.3693 | |
| 406 | V | A | -0.3273 | |
| 407 | E | A | -1.9214 | |
| 408 | R | A | -2.1950 | |
| 409 | Q | A | -1.3657 | |
| 410 | V | A | -0.8577 | |
| 411 | A | A | 0.0000 | |
| 412 | Q | A | -1.0260 | |
| 413 | F | A | 0.0402 | |
| 414 | C | A | -0.1997 | |
| 415 | D | A | -1.3985 | |
| 416 | N | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | L | A | -0.8125 | |
| 419 | I | A | 0.0000 | |
| 420 | E | A | -1.2001 | |
| 421 | V | A | 0.0000 | |
| 422 | Y | A | -0.6791 | |
| 423 | I | A | 0.0000 | |
| 424 | D | A | 0.0000 | |
| 425 | E | A | -3.3215 | |
| 426 | D | A | -3.3303 | |
| 427 | S | A | 0.0000 | |
| 428 | R | A | -2.4174 | |
| 429 | D | A | -3.0223 | |
| 430 | F | A | -2.2023 | |
| 431 | I | A | 0.0000 | |
| 432 | A | A | -1.5363 | |
| 433 | D | A | -2.4120 | |
| 434 | R | A | -2.0954 | |
| 435 | C | A | -0.6743 | |
| 436 | S | A | -1.5421 | |
| 437 | K | A | -2.4646 | |
| 438 | L | A | 0.0000 | |
| 439 | R | A | -2.3742 | |
| 440 | Y | A | 0.0000 | |
| 441 | C | A | 0.7452 | |
| 442 | F | A | 1.4683 | |
| 443 | W | A | -0.1629 | |
| 444 | Q | A | -1.9691 | |
| 445 | L | A | 0.0000 | |
| 446 | K | A | -2.6402 | |
| 447 | F | A | 0.0000 | |
| 448 | D | A | -0.6461 | |
| 449 | F | A | 0.9146 | |
| 450 | I | A | 1.9574 |
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