| Chain sequence(s) |
A: MRFRFNIALATMIFSSLVASPAMAGVPVQWSVDVHAPIYNPPRVADGVVYFDTAQSKGPNVFSAKNGKILWRFMTGGTILMPLTVGHGQVWVASDMGSTHYLRAIEAKTGKLIWDYTRHEPPECMCSHLTHYEHHLLFAQTDGHSLYAFYPVGNIPNRRLWAFTGDGAKLTAPVVVDHTVIFGSADHSVYGLFDKTGKIRWQRKTGYGFMAQPAVWKHEVIIGNRGGTVHAYSTTTGTSLWNFTTSGPINTTALIWHDSAFIASGAGDRGVYALSAKTGKQLWYTRMADYTAYAPIMAKQIVVVASRDGNMLGLSATTGKVLWRSELHGIPKSQPTLWKGDAVLKVNDHKIMAFNAQSGGLVWTYHSKNVVTRPVPKGDSVYVGTSGGALVAIGQ
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 (00:02:37)
[INFO] Main: Simulation completed successfully. (00:02:39)
|
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 | 0.4479 | |
| 2 | R | A | -0.6521 | |
| 3 | F | A | 0.7440 | |
| 4 | R | A | -0.4188 | |
| 5 | F | A | 1.2296 | |
| 6 | N | A | 0.5713 | |
| 7 | I | A | 2.1163 | |
| 8 | A | A | 1.6713 | |
| 9 | L | A | 2.0793 | |
| 10 | A | A | 1.5823 | |
| 11 | T | A | 1.6715 | |
| 12 | M | A | 2.7212 | |
| 13 | I | A | 3.3709 | |
| 14 | F | A | 3.2619 | |
| 15 | S | A | 2.0565 | |
| 16 | S | A | 1.8175 | |
| 17 | L | A | 2.5079 | |
| 18 | V | A | 2.3672 | |
| 19 | A | A | 1.1931 | |
| 20 | S | A | 0.5253 | |
| 21 | P | A | 0.4645 | |
| 22 | A | A | 0.1524 | |
| 23 | M | A | 0.9706 | |
| 24 | A | A | 0.5552 | |
| 25 | G | A | -0.0427 | |
| 26 | V | A | 0.0000 | |
| 27 | P | A | -0.2468 | |
| 28 | V | A | 0.4365 | |
| 29 | Q | A | -0.9702 | |
| 30 | W | A | -0.7244 | |
| 31 | S | A | -0.6698 | |
| 32 | V | A | -1.0118 | |
| 33 | D | A | -1.9604 | |
| 34 | V | A | -1.0402 | |
| 35 | H | A | -1.4983 | |
| 36 | A | A | -1.0835 | |
| 37 | P | A | -0.3354 | |
| 38 | I | A | 0.0000 | |
| 39 | Y | A | 1.4181 | |
| 40 | N | A | 0.4835 | |
| 41 | P | A | -0.1368 | |
| 42 | P | A | 0.0000 | |
| 43 | R | A | -0.7721 | |
| 44 | V | A | -0.8447 | |
| 45 | A | A | -1.1087 | |
| 46 | D | A | -1.9313 | |
| 47 | G | A | -1.6141 | |
| 48 | V | A | -1.0100 | |
| 49 | V | A | 0.0000 | |
| 50 | Y | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | D | A | 0.0000 | |
| 53 | T | A | 0.0000 | |
| 54 | A | A | -0.4349 | |
| 55 | Q | A | -1.4860 | |
| 56 | S | A | -1.0879 | |
| 57 | K | A | -1.6844 | |
| 58 | G | A | 0.0000 | |
| 59 | P | A | 0.0000 | |
| 60 | N | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | F | A | 0.0000 | |
| 63 | S | A | -1.1282 | |
| 64 | A | A | 0.0000 | |
| 65 | K | A | -2.7012 | |
| 66 | N | A | -2.5903 | |
| 67 | G | A | 0.0000 | |
| 68 | K | A | -1.5143 | |
| 69 | I | A | 0.4991 | |
| 70 | L | A | 0.6391 | |
| 71 | W | A | 0.0000 | |
| 72 | R | A | -0.8448 | |
| 73 | F | A | -0.4245 | |
| 74 | M | A | 0.0842 | |
| 75 | T | A | 0.0000 | |
| 76 | G | A | -0.4472 | |
| 77 | G | A | 0.0000 | |
| 78 | T | A | -0.3919 | |
| 79 | I | A | 0.0000 | |
| 80 | L | A | 1.1240 | |
| 81 | M | A | 0.7854 | |
| 82 | P | A | 0.2772 | |
| 83 | L | A | 0.0000 | |
| 84 | T | A | -0.1429 | |
| 85 | V | A | -0.1836 | |
| 86 | G | A | -0.6128 | |
| 87 | H | A | -1.1133 | |
| 88 | G | A | -1.4086 | |
| 89 | Q | A | 0.0000 | |
| 90 | V | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | A | A | 0.0837 | |
| 94 | S | A | 0.0000 | |
| 95 | D | A | 0.0000 | |
| 96 | M | A | 0.2141 | |
| 97 | G | A | -0.7595 | |
| 98 | S | A | -1.2673 | |
| 99 | T | A | -0.6928 | |
| 100 | H | A | 0.0000 | |
| 101 | Y | A | -0.2514 | |
| 102 | L | A | 0.0000 | |
| 103 | R | A | -0.3529 | |
| 104 | A | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | E | A | -1.2996 | |
| 107 | A | A | -1.2375 | |
| 108 | K | A | -2.0402 | |
| 109 | T | A | -1.5161 | |
| 110 | G | A | -1.1863 | |
| 111 | K | A | -1.6930 | |
| 112 | L | A | -0.1200 | |
| 113 | I | A | 0.4724 | |
| 114 | W | A | 0.0000 | |
| 115 | D | A | -0.8492 | |
| 116 | Y | A | -0.7566 | |
| 117 | T | A | -0.6543 | |
| 118 | R | A | -0.9964 | |
| 119 | H | A | -1.6860 | |
| 120 | E | A | -2.0401 | |
| 121 | P | A | -1.6487 | |
| 122 | P | A | -1.5842 | |
| 123 | E | A | -2.3495 | |
| 124 | C | A | -1.6505 | |
| 125 | M | A | -0.7295 | |
| 126 | C | A | 0.0000 | |
| 127 | S | A | -0.2114 | |
| 128 | H | A | -0.4557 | |
| 129 | L | A | -0.2436 | |
| 130 | T | A | -0.5986 | |
| 131 | H | A | -1.1956 | |
| 132 | Y | A | -1.0137 | |
| 133 | E | A | -1.5128 | |
| 134 | H | A | -1.6886 | |
| 135 | H | A | -1.1128 | |
| 136 | L | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | 0.0000 | |
| 140 | Q | A | 0.0000 | |
| 141 | T | A | 0.0000 | |
| 142 | D | A | -1.8334 | |
| 143 | G | A | 0.0000 | |
| 144 | H | A | -1.5227 | |
| 145 | S | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | Y | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | -0.3114 | |
| 151 | P | A | 0.0000 | |
| 152 | V | A | 0.0070 | |
| 153 | G | A | -0.5261 | |
| 154 | N | A | -1.1895 | |
| 155 | I | A | -0.6613 | |
| 156 | P | A | -1.1048 | |
| 157 | N | A | -1.6192 | |
| 158 | R | A | -1.2116 | |
| 159 | R | A | -1.0246 | |
| 160 | L | A | -0.5207 | |
| 161 | W | A | 0.0000 | |
| 162 | A | A | -0.1823 | |
| 163 | F | A | -0.0228 | |
| 164 | T | A | -0.6024 | |
| 165 | G | A | -1.3776 | |
| 166 | D | A | -2.3259 | |
| 167 | G | A | -1.9034 | |
| 168 | A | A | -1.7098 | |
| 169 | K | A | -1.7779 | |
| 170 | L | A | 0.0000 | |
| 171 | T | A | 0.0000 | |
| 172 | A | A | -0.3711 | |
| 173 | P | A | 0.0000 | |
| 174 | V | A | 0.1774 | |
| 175 | V | A | -0.2612 | |
| 176 | V | A | -0.7733 | |
| 177 | D | A | -1.3790 | |
| 178 | H | A | -1.6749 | |
| 179 | T | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | I | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | G | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | A | A | -0.7980 | |
| 186 | D | A | -1.2231 | |
| 187 | H | A | -1.1090 | |
| 188 | S | A | 0.0000 | |
| 189 | V | A | 0.0000 | |
| 190 | Y | A | 0.0000 | |
| 191 | G | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | F | A | -0.9910 | |
| 194 | D | A | 0.0000 | |
| 195 | K | A | -1.8760 | |
| 196 | T | A | -1.1216 | |
| 197 | G | A | 0.0000 | |
| 198 | K | A | -1.5652 | |
| 199 | I | A | -0.3192 | |
| 200 | R | A | -1.7059 | |
| 201 | W | A | 0.0000 | |
| 202 | Q | A | -1.5143 | |
| 203 | R | A | -2.0565 | |
| 204 | K | A | -2.3158 | |
| 205 | T | A | -1.1322 | |
| 206 | G | A | -0.7734 | |
| 207 | Y | A | 0.1854 | |
| 208 | G | A | 0.0000 | |
| 209 | F | A | 0.0000 | |
| 210 | M | A | -0.1653 | |
| 211 | A | A | 0.0000 | |
| 212 | Q | A | -0.5253 | |
| 213 | P | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | V | A | 0.0951 | |
| 216 | W | A | -1.3066 | |
| 217 | K | A | -2.5877 | |
| 218 | H | A | -1.8728 | |
| 219 | E | A | -1.2501 | |
| 220 | V | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | I | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | N | A | 0.0000 | |
| 225 | R | A | -1.1426 | |
| 226 | G | A | -0.7013 | |
| 227 | G | A | 0.0000 | |
| 228 | T | A | -0.5019 | |
| 229 | V | A | 0.0000 | |
| 230 | H | A | -0.4858 | |
| 231 | A | A | 0.0000 | |
| 232 | Y | A | 0.0000 | |
| 233 | S | A | -0.4678 | |
| 234 | T | A | 0.0000 | |
| 235 | T | A | -0.8550 | |
| 236 | T | A | -0.5988 | |
| 237 | G | A | 0.0000 | |
| 238 | T | A | -0.1526 | |
| 239 | S | A | -0.1875 | |
| 240 | L | A | 0.2002 | |
| 241 | W | A | 0.0000 | |
| 242 | N | A | -1.2734 | |
| 243 | F | A | -0.7832 | |
| 244 | T | A | -0.3340 | |
| 245 | T | A | -0.3293 | |
| 246 | S | A | -0.6272 | |
| 247 | G | A | 0.0000 | |
| 248 | P | A | -0.8955 | |
| 249 | I | A | 0.0000 | |
| 250 | N | A | -0.8505 | |
| 251 | T | A | 0.0000 | |
| 252 | T | A | -0.1614 | |
| 253 | A | A | 0.0000 | |
| 254 | L | A | 0.6558 | |
| 255 | I | A | 0.2754 | |
| 256 | W | A | -0.5268 | |
| 257 | H | A | -1.7850 | |
| 258 | D | A | -2.6950 | |
| 259 | S | A | -1.2938 | |
| 260 | A | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | A | A | 0.0000 | |
| 264 | S | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | A | A | -0.5326 | |
| 267 | G | A | -0.8529 | |
| 268 | D | A | -1.2571 | |
| 269 | R | A | -1.6081 | |
| 270 | G | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | -1.5819 | |
| 276 | A | A | 0.0000 | |
| 277 | K | A | -2.4798 | |
| 278 | T | A | -1.6954 | |
| 279 | G | A | 0.0000 | |
| 280 | K | A | -2.0519 | |
| 281 | Q | A | -0.6824 | |
| 282 | L | A | 0.5120 | |
| 283 | W | A | 0.0000 | |
| 284 | Y | A | -0.1627 | |
| 285 | T | A | -1.1066 | |
| 286 | R | A | -1.9722 | |
| 287 | M | A | 0.0000 | |
| 288 | A | A | -1.0224 | |
| 289 | D | A | -1.2940 | |
| 290 | Y | A | -0.8937 | |
| 291 | T | A | 0.0000 | |
| 292 | A | A | -0.2952 | |
| 293 | Y | A | -0.1191 | |
| 294 | A | A | 0.0080 | |
| 295 | P | A | 0.0000 | |
| 296 | I | A | 0.3079 | |
| 297 | M | A | -0.2981 | |
| 298 | A | A | 0.0000 | |
| 299 | K | A | -2.4227 | |
| 300 | Q | A | -2.0413 | |
| 301 | I | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | S | A | 0.0000 | |
| 307 | R | A | -0.8018 | |
| 308 | D | A | -1.4284 | |
| 309 | G | A | 0.0000 | |
| 310 | N | A | -1.9405 | |
| 311 | M | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | S | A | -0.6368 | |
| 316 | A | A | 0.0000 | |
| 317 | T | A | -0.3769 | |
| 318 | T | A | -0.2835 | |
| 319 | G | A | 0.0000 | |
| 320 | K | A | -1.0392 | |
| 321 | V | A | -0.1518 | |
| 322 | L | A | 0.4999 | |
| 323 | W | A | 0.0000 | |
| 324 | R | A | -2.0502 | |
| 325 | S | A | 0.0000 | |
| 326 | E | A | -2.7586 | |
| 327 | L | A | 0.0000 | |
| 328 | H | A | -1.5443 | |
| 329 | G | A | -0.7627 | |
| 330 | I | A | 0.5409 | |
| 331 | P | A | 0.0000 | |
| 332 | K | A | -1.3088 | |
| 333 | S | A | -0.7924 | |
| 334 | Q | A | -0.4713 | |
| 335 | P | A | 0.0000 | |
| 336 | T | A | 0.0967 | |
| 337 | L | A | -0.2490 | |
| 338 | W | A | 0.0000 | |
| 339 | K | A | -2.5164 | |
| 340 | G | A | -1.6941 | |
| 341 | D | A | -1.7978 | |
| 342 | A | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | L | A | 0.0000 | |
| 345 | K | A | 0.0000 | |
| 346 | V | A | 0.0000 | |
| 347 | N | A | -1.0194 | |
| 348 | D | A | -1.1882 | |
| 349 | H | A | -1.5424 | |
| 350 | K | A | -1.2259 | |
| 351 | I | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | F | A | 0.0000 | |
| 355 | N | A | -0.2320 | |
| 356 | A | A | 0.0000 | |
| 357 | Q | A | -1.2105 | |
| 358 | S | A | -0.6631 | |
| 359 | G | A | 0.0000 | |
| 360 | G | A | -0.0154 | |
| 361 | L | A | 1.5286 | |
| 362 | V | A | 2.0803 | |
| 363 | W | A | 0.0000 | |
| 364 | T | A | 0.0000 | |
| 365 | Y | A | -0.4063 | |
| 366 | H | A | -1.6534 | |
| 367 | S | A | -1.5753 | |
| 368 | K | A | -2.1580 | |
| 369 | N | A | -1.1497 | |
| 370 | V | A | -0.0378 | |
| 371 | V | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | R | A | -0.7056 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | P | A | -1.4089 | |
| 377 | K | A | -2.5387 | |
| 378 | G | A | -2.4476 | |
| 379 | D | A | -2.9761 | |
| 380 | S | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | Y | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | T | A | 0.0000 | |
| 386 | S | A | -0.0529 | |
| 387 | G | A | -0.7893 | |
| 388 | G | A | 0.0000 | |
| 389 | A | A | -0.9966 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | I | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | Q | A | -1.7508 |
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