| Chain sequence(s) |
A: CDLSCPSNKVCVIENGKQTCKCSERFVLENGVCICANDYKMEDGINCIAKNKCKRKEYENICTNPNEMCAYNEETDIVKCECKEHYYRSSRGECILNDYCKDINCKENEECSIVNFKPECVCKENLKKNNKGECIYENSCLINEGNCPKDSKCIYREYKPHECVCNKQGHVAVNGKCVLEDKCVHNKKCSENSICVNVMNKEPICVCTYNYYKKDEAAAKEAAAKESQVRQQFSKDIEKLLNEQVNKEMQSSNLYMSMSSWCYTHSLDGAGLFLFDHAAEEYEHAKKLIIFLNENNVPVQLTSISAPEHKFEGLTQIFQKAYEHEQHISESINNIVDHAIKSKDHATFNFLQWYVAEQHEEEVLFKDILDKIELIGNENHGLYLADQYVKGIAKSRKS
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:00)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:14)
[INFO] Main: Simulation completed successfully. (00:13:17)
|
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 | C | A | 0.5812 | |
| 2 | D | A | -0.8766 | |
| 3 | L | A | 0.2397 | |
| 4 | S | A | -0.0910 | |
| 5 | C | A | 0.0474 | |
| 6 | P | A | -0.1626 | |
| 7 | S | A | -0.1538 | |
| 8 | N | A | -0.1741 | |
| 9 | K | A | -0.1859 | |
| 10 | V | A | 0.8954 | |
| 11 | C | A | 0.6668 | |
| 12 | V | A | 0.6522 | |
| 13 | I | A | 0.5067 | |
| 14 | E | A | -1.8925 | |
| 15 | N | A | -2.2724 | |
| 16 | G | A | -1.8385 | |
| 17 | K | A | -2.0272 | |
| 18 | Q | A | -0.7380 | |
| 19 | T | A | -0.4469 | |
| 20 | C | A | 0.0863 | |
| 21 | K | A | -0.5249 | |
| 22 | C | A | 0.0895 | |
| 23 | S | A | -0.7505 | |
| 24 | E | A | -1.9311 | |
| 25 | R | A | -1.4563 | |
| 26 | F | A | 0.0000 | |
| 27 | V | A | 0.7924 | |
| 28 | L | A | 1.2630 | |
| 29 | E | A | -0.7708 | |
| 30 | N | A | -1.2479 | |
| 31 | G | A | -0.1267 | |
| 32 | V | A | 1.4047 | |
| 33 | C | A | 0.0000 | |
| 34 | I | A | 1.1689 | |
| 35 | C | A | -0.1912 | |
| 36 | A | A | -0.9342 | |
| 37 | N | A | -1.9897 | |
| 38 | D | A | -2.8176 | |
| 39 | Y | A | -1.9301 | |
| 40 | K | A | -1.9162 | |
| 41 | M | A | -0.9315 | |
| 42 | E | A | -2.2419 | |
| 43 | D | A | -2.4142 | |
| 44 | G | A | -1.3636 | |
| 45 | I | A | -0.1818 | |
| 46 | N | A | -0.9813 | |
| 47 | C | A | 0.0000 | |
| 48 | I | A | -1.5352 | |
| 49 | A | A | 0.0000 | |
| 50 | K | A | -2.6205 | |
| 51 | N | A | -2.2023 | |
| 52 | K | A | -2.3183 | |
| 53 | C | A | -1.9044 | |
| 54 | K | A | -3.3117 | |
| 55 | R | A | -3.0210 | |
| 56 | K | A | -3.7561 | |
| 57 | E | A | -3.5313 | |
| 58 | Y | A | -2.6090 | |
| 59 | E | A | -3.5806 | |
| 60 | N | A | -2.2532 | |
| 61 | I | A | -0.7132 | |
| 62 | C | A | -0.5412 | |
| 63 | T | A | -0.5197 | |
| 64 | N | A | -0.5964 | |
| 65 | P | A | -0.7418 | |
| 66 | N | A | -1.0692 | |
| 67 | E | A | -1.2002 | |
| 68 | M | A | -0.9930 | |
| 69 | C | A | -0.9017 | |
| 70 | A | A | -0.7699 | |
| 71 | Y | A | -1.3363 | |
| 72 | N | A | -2.0158 | |
| 73 | E | A | -3.2459 | |
| 74 | E | A | -2.9646 | |
| 75 | T | A | -1.5536 | |
| 76 | D | A | -1.8931 | |
| 77 | I | A | 0.3545 | |
| 78 | V | A | 0.1499 | |
| 79 | K | A | -0.6005 | |
| 80 | C | A | -0.4965 | |
| 81 | E | A | -1.8549 | |
| 82 | C | A | -1.5728 | |
| 83 | K | A | -1.7707 | |
| 84 | E | A | -2.1429 | |
| 85 | H | A | -1.0739 | |
| 86 | Y | A | -0.9543 | |
| 87 | Y | A | -0.5813 | |
| 88 | R | A | -1.8927 | |
| 89 | S | A | -1.1022 | |
| 90 | S | A | -1.3501 | |
| 91 | R | A | -2.3385 | |
| 92 | G | A | -2.0908 | |
| 93 | E | A | -1.7412 | |
| 94 | C | A | 0.0000 | |
| 95 | I | A | -0.1664 | |
| 96 | L | A | -0.2762 | |
| 97 | N | A | -1.2453 | |
| 98 | D | A | -2.2044 | |
| 99 | Y | A | -1.5176 | |
| 100 | C | A | -2.1162 | |
| 101 | K | A | -2.9665 | |
| 102 | D | A | -2.6305 | |
| 103 | I | A | -1.6878 | |
| 104 | N | A | -2.3394 | |
| 105 | C | A | -2.2270 | |
| 106 | K | A | -2.9830 | |
| 107 | E | A | -3.2924 | |
| 108 | N | A | 0.0000 | |
| 109 | E | A | 0.0000 | |
| 110 | E | A | -2.7524 | |
| 111 | C | A | -1.5373 | |
| 112 | S | A | -0.4234 | |
| 113 | I | A | -0.0846 | |
| 114 | V | A | 0.1574 | |
| 115 | N | A | -0.9056 | |
| 116 | F | A | -0.4202 | |
| 117 | K | A | -1.3502 | |
| 118 | P | A | -1.2899 | |
| 119 | E | A | -1.0728 | |
| 120 | C | A | -0.9715 | |
| 121 | V | A | -0.8692 | |
| 122 | C | A | -2.2367 | |
| 123 | K | A | -2.9070 | |
| 124 | E | A | -3.2878 | |
| 125 | N | A | -3.0151 | |
| 126 | L | A | -2.9005 | |
| 127 | K | A | -3.2516 | |
| 128 | K | A | -3.1921 | |
| 129 | N | A | -2.9209 | |
| 130 | N | A | -2.8301 | |
| 131 | K | A | -2.8898 | |
| 132 | G | A | -2.2272 | |
| 133 | E | A | -2.1103 | |
| 134 | C | A | 0.0000 | |
| 135 | I | A | -2.0081 | |
| 136 | Y | A | -2.6599 | |
| 137 | E | A | -2.8264 | |
| 138 | N | A | -1.0391 | |
| 139 | S | A | -0.5574 | |
| 140 | C | A | -0.3660 | |
| 141 | L | A | 1.2088 | |
| 142 | I | A | 1.0562 | |
| 143 | N | A | -1.1749 | |
| 144 | E | A | -2.0581 | |
| 145 | G | A | 0.0000 | |
| 146 | N | A | -2.5443 | |
| 147 | C | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | K | A | -3.7002 | |
| 150 | D | A | -3.6784 | |
| 151 | S | A | -3.0733 | |
| 152 | K | A | -2.5872 | |
| 153 | C | A | -1.1874 | |
| 154 | I | A | -0.1965 | |
| 155 | Y | A | -0.8161 | |
| 156 | R | A | -1.6324 | |
| 157 | E | A | -1.9861 | |
| 158 | Y | A | -1.2284 | |
| 159 | K | A | -2.3427 | |
| 160 | P | A | -1.7375 | |
| 161 | H | A | -1.4668 | |
| 162 | E | A | -0.6681 | |
| 163 | C | A | -1.0783 | |
| 164 | V | A | -0.5858 | |
| 165 | C | A | 0.0000 | |
| 166 | N | A | -3.0561 | |
| 167 | K | A | -2.5432 | |
| 168 | Q | A | -2.2355 | |
| 169 | G | A | -1.7644 | |
| 170 | H | A | -0.9835 | |
| 171 | V | A | -0.1531 | |
| 172 | A | A | -0.6681 | |
| 173 | V | A | -0.1971 | |
| 174 | N | A | -1.6271 | |
| 175 | G | A | -2.2161 | |
| 176 | K | A | -2.3911 | |
| 177 | C | A | -1.3377 | |
| 178 | V | A | 0.1290 | |
| 179 | L | A | -0.1293 | |
| 180 | E | A | -1.2155 | |
| 181 | D | A | -1.9468 | |
| 182 | K | A | -2.5414 | |
| 183 | C | A | -1.0018 | |
| 184 | V | A | 0.1145 | |
| 185 | H | A | -1.4709 | |
| 186 | N | A | -1.8450 | |
| 187 | K | A | -2.8473 | |
| 188 | K | A | -2.5363 | |
| 189 | C | A | -0.9391 | |
| 190 | S | A | -1.4588 | |
| 191 | E | A | -2.2303 | |
| 192 | N | A | -0.6378 | |
| 193 | S | A | 0.8373 | |
| 194 | I | A | 1.8800 | |
| 195 | C | A | 0.9361 | |
| 196 | V | A | 1.4390 | |
| 197 | N | A | -0.4964 | |
| 198 | V | A | -0.4134 | |
| 199 | M | A | -0.6756 | |
| 200 | N | A | -2.4435 | |
| 201 | K | A | -2.8219 | |
| 202 | E | A | -2.5997 | |
| 203 | P | A | -1.0077 | |
| 204 | I | A | 0.9645 | |
| 205 | C | A | 1.3092 | |
| 206 | V | A | 2.3750 | |
| 207 | C | A | 1.4739 | |
| 208 | T | A | 1.2162 | |
| 209 | Y | A | 1.4115 | |
| 210 | N | A | 0.0738 | |
| 211 | Y | A | 0.5768 | |
| 212 | Y | A | 0.0993 | |
| 213 | K | A | -2.2592 | |
| 214 | K | A | -3.5361 | |
| 215 | D | A | -3.9528 | |
| 216 | E | A | -3.8413 | |
| 217 | A | A | -2.6082 | |
| 218 | A | A | -2.8247 | |
| 219 | A | A | -3.5099 | |
| 220 | K | A | -3.7547 | |
| 221 | E | A | -3.4400 | |
| 222 | A | A | 0.0000 | |
| 223 | A | A | -2.1581 | |
| 224 | A | A | -2.3312 | |
| 225 | K | A | -3.0916 | |
| 226 | E | A | -3.1877 | |
| 227 | S | A | -2.2301 | |
| 228 | Q | A | -2.0738 | |
| 229 | V | A | -1.1691 | |
| 230 | R | A | -2.7289 | |
| 231 | Q | A | -2.8249 | |
| 232 | Q | A | -2.4729 | |
| 233 | F | A | 0.0000 | |
| 234 | S | A | -2.5810 | |
| 235 | K | A | -3.4123 | |
| 236 | D | A | -3.3058 | |
| 237 | I | A | 0.0000 | |
| 238 | E | A | -2.7161 | |
| 239 | K | A | -3.2847 | |
| 240 | L | A | -2.1473 | |
| 241 | L | A | 0.0000 | |
| 242 | N | A | 0.0000 | |
| 243 | E | A | -2.2297 | |
| 244 | Q | A | 0.0000 | |
| 245 | V | A | 0.0000 | |
| 246 | N | A | -0.8116 | |
| 247 | K | A | -1.6197 | |
| 248 | E | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | Q | A | -0.5124 | |
| 251 | S | A | 0.0000 | |
| 252 | S | A | 0.0000 | |
| 253 | N | A | -0.4792 | |
| 254 | L | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | M | A | 0.3387 | |
| 257 | S | A | -0.6456 | |
| 258 | M | A | 0.0000 | |
| 259 | S | A | 0.0000 | |
| 260 | S | A | 0.0989 | |
| 261 | W | A | -0.9313 | |
| 262 | C | A | 0.0000 | |
| 263 | Y | A | -0.1011 | |
| 264 | T | A | -0.3727 | |
| 265 | H | A | -0.8640 | |
| 266 | S | A | -0.4858 | |
| 267 | L | A | 0.0000 | |
| 268 | D | A | -1.0493 | |
| 269 | G | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 0.2503 | |
| 273 | F | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | F | A | 1.6159 | |
| 276 | D | A | 0.1421 | |
| 277 | H | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | A | A | 0.0647 | |
| 280 | E | A | -0.6439 | |
| 281 | E | A | 0.0000 | |
| 282 | Y | A | -0.2760 | |
| 283 | E | A | -1.8233 | |
| 284 | H | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | K | A | -0.7923 | |
| 287 | K | A | -0.5721 | |
| 288 | L | A | 0.0000 | |
| 289 | I | A | 0.2323 | |
| 290 | I | A | 0.8271 | |
| 291 | F | A | -0.0884 | |
| 292 | L | A | 0.0000 | |
| 293 | N | A | -1.7778 | |
| 294 | E | A | -2.2271 | |
| 295 | N | A | -1.9479 | |
| 296 | N | A | -2.2584 | |
| 297 | V | A | 0.0000 | |
| 298 | P | A | -1.1947 | |
| 299 | V | A | -0.2757 | |
| 300 | Q | A | -0.8063 | |
| 301 | L | A | 0.8040 | |
| 302 | T | A | 0.1171 | |
| 303 | S | A | 0.1793 | |
| 304 | I | A | 0.5611 | |
| 305 | S | A | -0.1252 | |
| 306 | A | A | -0.4519 | |
| 307 | P | A | -1.1728 | |
| 308 | E | A | -2.1997 | |
| 309 | H | A | -2.3091 | |
| 310 | K | A | -2.7969 | |
| 311 | F | A | -2.1560 | |
| 312 | E | A | -2.3103 | |
| 313 | G | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | T | A | -1.3653 | |
| 316 | Q | A | -1.3505 | |
| 317 | I | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | Q | A | -1.6987 | |
| 320 | K | A | -1.5327 | |
| 321 | A | A | 0.0000 | |
| 322 | Y | A | -1.5421 | |
| 323 | E | A | -2.3042 | |
| 324 | H | A | -1.7597 | |
| 325 | E | A | 0.0000 | |
| 326 | Q | A | -2.2717 | |
| 327 | H | A | -2.4629 | |
| 328 | I | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.8179 | |
| 331 | S | A | -2.2302 | |
| 332 | I | A | 0.0000 | |
| 333 | N | A | -2.3295 | |
| 334 | N | A | -2.1154 | |
| 335 | I | A | 0.0000 | |
| 336 | V | A | -1.3456 | |
| 337 | D | A | -2.0564 | |
| 338 | H | A | -1.9800 | |
| 339 | A | A | 0.0000 | |
| 340 | I | A | -0.7849 | |
| 341 | K | A | -2.2344 | |
| 342 | S | A | -1.9920 | |
| 343 | K | A | -2.2857 | |
| 344 | D | A | -1.6799 | |
| 345 | H | A | -1.5002 | |
| 346 | A | A | -0.8878 | |
| 347 | T | A | 0.0000 | |
| 348 | F | A | -0.4505 | |
| 349 | N | A | -1.1638 | |
| 350 | F | A | -0.2081 | |
| 351 | L | A | 0.0000 | |
| 352 | Q | A | -0.5127 | |
| 353 | W | A | -0.0425 | |
| 354 | Y | A | 0.0000 | |
| 355 | V | A | -0.6724 | |
| 356 | A | A | -0.8277 | |
| 357 | E | A | -1.1598 | |
| 358 | Q | A | 0.0000 | |
| 359 | H | A | -1.5946 | |
| 360 | E | A | -2.0146 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -1.3062 | |
| 363 | V | A | -0.0761 | |
| 364 | L | A | -0.7189 | |
| 365 | F | A | 0.0000 | |
| 366 | K | A | -2.3732 | |
| 367 | D | A | -2.3600 | |
| 368 | I | A | 0.0000 | |
| 369 | L | A | -1.9765 | |
| 370 | D | A | -3.0351 | |
| 371 | K | A | -1.6796 | |
| 372 | I | A | 0.0000 | |
| 373 | E | A | -1.9768 | |
| 374 | L | A | 0.1113 | |
| 375 | I | A | 0.0018 | |
| 376 | G | A | -1.2809 | |
| 377 | N | A | -1.7707 | |
| 378 | E | A | -3.0366 | |
| 379 | N | A | -2.4667 | |
| 380 | H | A | -1.2478 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | 0.2557 | |
| 383 | Y | A | 1.1431 | |
| 384 | L | A | 1.0369 | |
| 385 | A | A | 0.0000 | |
| 386 | D | A | -0.0271 | |
| 387 | Q | A | -0.6037 | |
| 388 | Y | A | 0.0718 | |
| 389 | V | A | 0.0000 | |
| 390 | K | A | -1.4516 | |
| 391 | G | A | -1.3823 | |
| 392 | I | A | -1.2163 | |
| 393 | A | A | 0.0000 | |
| 394 | K | A | -2.8859 | |
| 395 | S | A | -2.1951 | |
| 396 | R | A | -2.5210 | |
| 397 | K | A | -2.9111 | |
| 398 | S | A | -1.8060 |
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