| Chain sequence(s) |
A: MTAIIKEIVSRNKRRYQEDGFDLDLTYIYPNIIAMGFPAERLEGVYRNNIDDVVRFLDSKHKNHYKIYNLCAERHYDTAKFNCRVAQYPFEDHNPPQLELIKPFCEDLDQWLSEDDNHVAAIHCKAGKGRTGVMICAYLLHRGKFLKAQEALDFYGEVRTRDKKGVTIPSQRRYVYYYSYLLKNHLDYRPVALLFHKMMFETIPMFSGGTCNPQFVVCQLKVKIYSSNSGPTRREDKFMYFEFPQPLPVCGDIKVEFFHKQNKMLKKDKMFHFWVNTFFIPGPEETSEKVENGSLCDQEIDSICSIERADNDKEYLVLTLTKNDLDKANKDKANRYFSPNFKVKLYFTKTVEEPSNPEASSSTSVTPDVSDNEPDHYRYSDTTDSDPENEPFDEDQHTQITKV
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:20)
[INFO] Main: Simulation completed successfully. (00:08:23)
|
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 | 1.0428 | |
| 2 | T | A | 0.1339 | |
| 3 | A | A | 0.3431 | |
| 4 | I | A | 1.8634 | |
| 5 | I | A | 0.8233 | |
| 6 | K | A | -0.3363 | |
| 7 | E | A | -1.0766 | |
| 8 | I | A | 1.8390 | |
| 9 | V | A | 0.7852 | |
| 10 | S | A | 0.0000 | |
| 11 | R | A | -1.8639 | |
| 12 | N | A | -0.8991 | |
| 13 | K | A | 0.0000 | |
| 14 | R | A | -1.4079 | |
| 15 | R | A | -0.4696 | |
| 16 | Y | A | -0.1292 | |
| 17 | Q | A | -1.5723 | |
| 18 | E | A | -2.3535 | |
| 19 | D | A | -2.1973 | |
| 20 | G | A | -0.7879 | |
| 21 | F | A | 0.0000 | |
| 22 | D | A | -0.7373 | |
| 23 | L | A | 0.0000 | |
| 24 | D | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | T | A | 0.0599 | |
| 27 | Y | A | 0.3656 | |
| 28 | I | A | 0.0000 | |
| 29 | Y | A | 0.2671 | |
| 30 | P | A | -0.2651 | |
| 31 | N | A | -0.4121 | |
| 32 | I | A | 0.0000 | |
| 33 | I | A | 0.0000 | |
| 34 | A | A | 0.0000 | |
| 35 | M | A | 0.0000 | |
| 36 | G | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | P | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | E | A | -1.1073 | |
| 41 | R | A | -1.7059 | |
| 42 | L | A | 1.1101 | |
| 43 | E | A | -0.3117 | |
| 44 | G | A | 0.0000 | |
| 45 | V | A | 0.7291 | |
| 46 | Y | A | 0.4286 | |
| 47 | R | A | -0.2246 | |
| 48 | N | A | 0.0000 | |
| 49 | N | A | -0.5250 | |
| 50 | I | A | 0.0000 | |
| 51 | D | A | -1.9513 | |
| 52 | D | A | -1.2247 | |
| 53 | V | A | 0.0000 | |
| 54 | V | A | -0.0663 | |
| 55 | R | A | -1.5708 | |
| 56 | F | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | D | A | -0.8674 | |
| 59 | S | A | -0.4656 | |
| 60 | K | A | -0.8999 | |
| 61 | H | A | -0.5908 | |
| 62 | K | A | -2.0235 | |
| 63 | N | A | -1.6266 | |
| 64 | H | A | -0.5109 | |
| 65 | Y | A | 0.0000 | |
| 66 | K | A | -0.2745 | |
| 67 | I | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | N | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | C | A | 0.0000 | |
| 72 | A | A | -0.0949 | |
| 73 | E | A | -0.9932 | |
| 74 | R | A | -1.7514 | |
| 75 | H | A | -1.2536 | |
| 76 | Y | A | 0.0000 | |
| 77 | D | A | -1.7940 | |
| 78 | T | A | -0.3371 | |
| 79 | A | A | -0.0314 | |
| 80 | K | A | -0.9137 | |
| 81 | F | A | 0.0000 | |
| 82 | N | A | -1.1431 | |
| 83 | C | A | 0.2303 | |
| 84 | R | A | -1.4405 | |
| 85 | V | A | -0.1094 | |
| 86 | A | A | -0.1764 | |
| 87 | Q | A | -1.1702 | |
| 88 | Y | A | -0.0915 | |
| 89 | P | A | -0.0971 | |
| 90 | F | A | 0.0000 | |
| 91 | E | A | -1.4445 | |
| 92 | D | A | -0.7634 | |
| 93 | H | A | -0.5950 | |
| 94 | N | A | -0.2769 | |
| 95 | P | A | 0.0000 | |
| 96 | P | A | 0.0000 | |
| 97 | Q | A | -0.4407 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | -1.7790 | |
| 100 | L | A | -0.0963 | |
| 101 | I | A | 0.0000 | |
| 102 | K | A | -1.4006 | |
| 103 | P | A | -0.3989 | |
| 104 | F | A | 0.0000 | |
| 105 | C | A | 0.0000 | |
| 106 | E | A | -1.7929 | |
| 107 | D | A | -0.7232 | |
| 108 | L | A | 0.0000 | |
| 109 | D | A | -0.4567 | |
| 110 | Q | A | -1.2418 | |
| 111 | W | A | 0.0000 | |
| 112 | L | A | 0.1577 | |
| 113 | S | A | -0.5035 | |
| 114 | E | A | -1.9418 | |
| 115 | D | A | -1.1147 | |
| 116 | D | A | -2.1009 | |
| 117 | N | A | -1.5925 | |
| 118 | H | A | 0.0000 | |
| 119 | V | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | I | A | 0.0000 | |
| 123 | H | A | 0.0000 | |
| 124 | C | A | 0.0000 | |
| 125 | K | A | -0.5372 | |
| 126 | A | A | -0.0793 | |
| 127 | G | A | 0.0000 | |
| 128 | K | A | -0.4361 | |
| 129 | G | A | -0.1490 | |
| 130 | R | A | 0.0000 | |
| 131 | T | A | 0.0000 | |
| 132 | G | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | M | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | A | A | 0.0000 | |
| 138 | Y | A | 0.0000 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | H | A | -0.5309 | |
| 142 | R | A | -1.8132 | |
| 143 | G | A | -0.9437 | |
| 144 | K | A | -0.9903 | |
| 145 | F | A | 0.4139 | |
| 146 | L | A | 1.4407 | |
| 147 | K | A | -0.6323 | |
| 148 | A | A | 0.0000 | |
| 149 | Q | A | -0.6334 | |
| 150 | E | A | -0.8397 | |
| 151 | A | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | D | A | -1.1639 | |
| 154 | F | A | 0.1742 | |
| 155 | Y | A | 0.0000 | |
| 156 | G | A | 0.0000 | |
| 157 | E | A | -1.3909 | |
| 158 | V | A | 0.0467 | |
| 159 | R | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | R | A | -1.9799 | |
| 162 | D | A | -1.3880 | |
| 163 | K | A | -2.1277 | |
| 164 | K | A | -1.0858 | |
| 165 | G | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | T | A | 0.0026 | |
| 168 | I | A | 0.2428 | |
| 169 | P | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | Q | A | 0.0000 | |
| 172 | R | A | -0.3592 | |
| 173 | R | A | 0.0000 | |
| 174 | Y | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | Y | A | 0.2011 | |
| 177 | Y | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | S | A | 0.0283 | |
| 180 | Y | A | 0.1780 | |
| 181 | L | A | 0.0000 | |
| 182 | L | A | 0.1425 | |
| 183 | K | A | -1.6917 | |
| 184 | N | A | -0.8766 | |
| 185 | H | A | -0.9373 | |
| 186 | L | A | 0.1638 | |
| 187 | D | A | -1.6301 | |
| 188 | Y | A | -0.4844 | |
| 189 | R | A | -1.8284 | |
| 190 | P | A | -0.3642 | |
| 191 | V | A | 0.3505 | |
| 192 | A | A | 0.1171 | |
| 193 | L | A | 0.0000 | |
| 194 | L | A | 0.4002 | |
| 195 | F | A | 0.0000 | |
| 196 | H | A | -0.1695 | |
| 197 | K | A | -0.5394 | |
| 198 | M | A | 0.0000 | |
| 199 | M | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | E | A | -0.8134 | |
| 202 | T | A | -0.2772 | |
| 203 | I | A | 0.1983 | |
| 204 | P | A | 0.0000 | |
| 205 | M | A | 0.2891 | |
| 206 | F | A | 0.2266 | |
| 207 | S | A | -0.1427 | |
| 208 | G | A | -0.5666 | |
| 209 | G | A | -0.5198 | |
| 210 | T | A | -0.0766 | |
| 211 | C | A | 0.0000 | |
| 212 | N | A | -0.3285 | |
| 213 | P | A | 0.0000 | |
| 214 | Q | A | -0.1811 | |
| 215 | F | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | C | A | -0.2360 | |
| 219 | Q | A | -0.2420 | |
| 220 | L | A | 0.2539 | |
| 221 | K | A | -1.2743 | |
| 222 | V | A | 1.1601 | |
| 223 | K | A | -1.2667 | |
| 224 | I | A | 0.2836 | |
| 225 | Y | A | 0.3144 | |
| 226 | S | A | -0.1705 | |
| 227 | S | A | -0.2974 | |
| 228 | N | A | -1.3046 | |
| 229 | S | A | -0.4228 | |
| 230 | G | A | -0.1559 | |
| 231 | P | A | -0.1008 | |
| 232 | T | A | -0.4173 | |
| 233 | R | A | -2.1284 | |
| 234 | R | A | -2.1039 | |
| 235 | E | A | -2.0601 | |
| 236 | D | A | -2.3237 | |
| 237 | K | A | -1.7886 | |
| 238 | F | A | 0.0231 | |
| 239 | M | A | 0.0000 | |
| 240 | Y | A | 0.1637 | |
| 241 | F | A | 0.0000 | |
| 242 | E | A | -1.6478 | |
| 243 | F | A | 0.0000 | |
| 244 | P | A | -0.4725 | |
| 245 | Q | A | -1.2625 | |
| 246 | P | A | -0.3273 | |
| 247 | L | A | 0.0000 | |
| 248 | P | A | -0.2053 | |
| 249 | V | A | 0.0000 | |
| 250 | C | A | 0.1564 | |
| 251 | G | A | 0.0000 | |
| 252 | D | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | K | A | -0.2578 | |
| 255 | V | A | 0.0000 | |
| 256 | E | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | F | A | 0.0000 | |
| 259 | H | A | 0.0000 | |
| 260 | K | A | -0.7249 | |
| 261 | Q | A | -0.7853 | |
| 262 | N | A | -1.6558 | |
| 263 | K | A | -1.7388 | |
| 264 | M | A | 1.0310 | |
| 265 | L | A | 1.4292 | |
| 266 | K | A | -1.5682 | |
| 267 | K | A | -1.2430 | |
| 268 | D | A | -0.7457 | |
| 269 | K | A | -1.5592 | |
| 270 | M | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | H | A | -0.1525 | |
| 273 | F | A | 0.0000 | |
| 274 | W | A | 0.0000 | |
| 275 | V | A | 0.0000 | |
| 276 | N | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | F | A | 0.3102 | |
| 279 | F | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | P | A | -0.0332 | |
| 282 | G | A | -0.0804 | |
| 283 | P | A | -0.4998 | |
| 284 | E | A | -2.1744 | |
| 285 | E | A | -2.1571 | |
| 286 | T | A | -0.4331 | |
| 287 | S | A | -0.5703 | |
| 288 | E | A | -2.1657 | |
| 289 | K | A | -1.7001 | |
| 290 | V | A | 1.1221 | |
| 291 | E | A | -1.7221 | |
| 292 | N | A | -1.6905 | |
| 293 | G | A | -0.7459 | |
| 294 | S | A | -0.0211 | |
| 295 | L | A | 1.5983 | |
| 296 | C | A | 0.5654 | |
| 297 | D | A | -1.2536 | |
| 298 | Q | A | -1.7262 | |
| 299 | E | A | -1.9934 | |
| 300 | I | A | -0.2125 | |
| 301 | D | A | -0.6351 | |
| 302 | S | A | -0.2641 | |
| 303 | I | A | 0.3313 | |
| 304 | C | A | 0.1270 | |
| 305 | S | A | -0.0423 | |
| 306 | I | A | 0.4361 | |
| 307 | E | A | -1.7391 | |
| 308 | R | A | -2.3343 | |
| 309 | A | A | -0.6422 | |
| 310 | D | A | -2.0106 | |
| 311 | N | A | -1.8997 | |
| 312 | D | A | -2.2012 | |
| 313 | K | A | -1.7184 | |
| 314 | E | A | -2.2321 | |
| 315 | Y | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | T | A | -0.0525 | |
| 320 | L | A | 0.0000 | |
| 321 | T | A | -0.1042 | |
| 322 | K | A | 0.0000 | |
| 323 | N | A | -1.3595 | |
| 324 | D | A | -0.5943 | |
| 325 | L | A | 0.0000 | |
| 326 | D | A | 0.0000 | |
| 327 | K | A | -1.0917 | |
| 328 | A | A | 0.0000 | |
| 329 | N | A | -0.4810 | |
| 330 | K | A | -0.9378 | |
| 331 | D | A | -0.6700 | |
| 332 | K | A | -1.7271 | |
| 333 | A | A | -0.3544 | |
| 334 | N | A | -0.9173 | |
| 335 | R | A | -1.8373 | |
| 336 | Y | A | 0.3230 | |
| 337 | F | A | 0.0000 | |
| 338 | S | A | -0.0799 | |
| 339 | P | A | -0.4886 | |
| 340 | N | A | -1.3186 | |
| 341 | F | A | 0.0000 | |
| 342 | K | A | -0.5640 | |
| 343 | V | A | 0.0000 | |
| 344 | K | A | -0.3321 | |
| 345 | L | A | 0.0000 | |
| 346 | Y | A | 0.1385 | |
| 347 | F | A | 0.0000 | |
| 348 | T | A | -0.1451 | |
| 349 | K | A | -0.7539 | |
| 350 | T | A | 0.0358 | |
| 351 | V | A | 0.8983 | |
| 352 | E | A | -1.9151 | |
| 353 | E | A | -2.1908 | |
| 354 | P | A | -0.6214 | |
| 355 | S | A | -0.4882 | |
| 356 | N | A | -1.3565 | |
| 357 | P | A | -0.8123 | |
| 358 | E | A | -1.8558 | |
| 359 | A | A | -0.3114 | |
| 360 | S | A | -0.2408 | |
| 361 | S | A | -0.2906 | |
| 362 | S | A | -0.2649 | |
| 363 | T | A | -0.1504 | |
| 364 | S | A | 0.0955 | |
| 365 | V | A | 1.7213 | |
| 366 | T | A | 0.2049 | |
| 367 | P | A | -0.5926 | |
| 368 | D | A | -1.5163 | |
| 369 | V | A | 1.4113 | |
| 370 | S | A | -0.2122 | |
| 371 | D | A | -2.0629 | |
| 372 | N | A | -1.9353 | |
| 373 | E | A | -2.0985 | |
| 374 | P | A | -0.9132 | |
| 375 | D | A | -2.0147 | |
| 376 | H | A | -1.0724 | |
| 377 | Y | A | 0.7966 | |
| 378 | R | A | -1.3644 | |
| 379 | Y | A | 0.9416 | |
| 380 | S | A | -0.2993 | |
| 381 | D | A | -1.8409 | |
| 382 | T | A | -0.4058 | |
| 383 | T | A | -0.4300 | |
| 384 | D | A | -1.7666 | |
| 385 | S | A | -0.6955 | |
| 386 | D | A | -1.4653 | |
| 387 | P | A | -0.8295 | |
| 388 | E | A | -2.0898 | |
| 389 | N | A | -1.9225 | |
| 390 | E | A | -2.0955 | |
| 391 | P | A | -0.2254 | |
| 392 | F | A | 1.5669 | |
| 393 | D | A | -1.7683 | |
| 394 | E | A | -2.4750 | |
| 395 | D | A | -2.3455 | |
| 396 | Q | A | -1.7195 | |
| 397 | H | A | -1.2293 | |
| 398 | T | A | -0.4773 | |
| 399 | Q | A | -0.8404 | |
| 400 | I | A | 1.7786 | |
| 401 | T | A | -0.0112 | |
| 402 | K | A | -1.3964 | |
| 403 | V | A | 1.4692 |
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