| Chain sequence(s) |
A: MIRNKAFVVRLYPTKEQEEKLSRNMGCARFVYNFFLEENRKHYKESGKFLTYEEMQKRLTLLKQKPEYSWLKEADKFALQNSLKNLETAFKNFFKSKEAGKKNVGFPRFRKKRTGESYRTQFTNNNIQIGEGRLKLPKIGWIKFRQHRKIEGKIKNVTVRRIHEGHYEASVLCEVEIPYLPAAPKKVLGIDIGIKNFAVTSDGWEFNNPGLLRKYARLEKRLRKAQQTLSRRKKGSARYGKAKAIIARLHERIDNERKDFLHKVSTRIVREYDVVAIEDLNIDNMRKNRRLARAIEDIGFHEFFRMLEYKAAWYNKEILRIDRWFPSSKTCHDCGYTKKGEKDLNVREWKCPNCGKTWDRDVNAALNIRREALVALGEPVPEEPITVEELLENAKTGSLRHRLEKLLE
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 (00:39:29)
[INFO] Main: Simulation completed successfully. (00:39:33)
|
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 | 1.0351 | |
| 2 | I | A | 0.3065 | |
| 3 | R | A | -0.8874 | |
| 4 | N | A | -2.0442 | |
| 5 | K | A | -1.4083 | |
| 6 | A | A | -0.1409 | |
| 7 | F | A | -0.1709 | |
| 8 | V | A | 0.3020 | |
| 9 | V | A | -0.6458 | |
| 10 | R | A | -1.1868 | |
| 11 | L | A | -0.6517 | |
| 12 | Y | A | -0.6878 | |
| 13 | P | A | -1.2181 | |
| 14 | T | A | -1.9045 | |
| 15 | K | A | -3.3562 | |
| 16 | E | A | -3.5664 | |
| 17 | Q | A | -2.5491 | |
| 18 | E | A | -3.0968 | |
| 19 | E | A | -3.4538 | |
| 20 | K | A | -3.4480 | |
| 21 | L | A | -2.0848 | |
| 22 | S | A | -1.8620 | |
| 23 | R | A | -2.6574 | |
| 24 | N | A | -1.9565 | |
| 25 | M | A | 0.0000 | |
| 26 | G | A | -1.1662 | |
| 27 | C | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | R | A | -0.7421 | |
| 30 | F | A | 0.1842 | |
| 31 | V | A | 0.0000 | |
| 32 | Y | A | 0.0000 | |
| 33 | N | A | -0.6348 | |
| 34 | F | A | -0.0144 | |
| 35 | F | A | 0.0000 | |
| 36 | L | A | -1.4872 | |
| 37 | E | A | -2.8926 | |
| 38 | E | A | -2.4833 | |
| 39 | N | A | 0.0000 | |
| 40 | R | A | -3.7554 | |
| 41 | K | A | -3.8577 | |
| 42 | H | A | -2.9376 | |
| 43 | Y | A | -2.1500 | |
| 44 | K | A | -2.5704 | |
| 45 | E | A | -2.4852 | |
| 46 | S | A | -1.7531 | |
| 47 | G | A | -1.6115 | |
| 48 | K | A | -0.9122 | |
| 49 | F | A | -0.6141 | |
| 50 | L | A | 0.0000 | |
| 51 | T | A | -0.6002 | |
| 52 | Y | A | -0.7975 | |
| 53 | E | A | -2.5761 | |
| 54 | E | A | -2.2927 | |
| 55 | M | A | 0.0000 | |
| 56 | Q | A | -2.5061 | |
| 57 | K | A | -3.0498 | |
| 58 | R | A | -2.4353 | |
| 59 | L | A | 0.0000 | |
| 60 | T | A | -1.4983 | |
| 61 | L | A | -1.3309 | |
| 62 | L | A | 0.0000 | |
| 63 | K | A | -1.9272 | |
| 64 | Q | A | -2.3992 | |
| 65 | K | A | -2.4577 | |
| 66 | P | A | -1.9807 | |
| 67 | E | A | -2.3840 | |
| 68 | Y | A | -1.5392 | |
| 69 | S | A | -1.7126 | |
| 70 | W | A | -1.2965 | |
| 71 | L | A | -1.9549 | |
| 72 | K | A | -2.7173 | |
| 73 | E | A | -3.1820 | |
| 74 | A | A | -2.2644 | |
| 75 | D | A | -1.8093 | |
| 76 | K | A | -1.3292 | |
| 77 | F | A | -0.5908 | |
| 78 | A | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -0.9241 | |
| 81 | N | A | -1.0901 | |
| 82 | S | A | -0.8262 | |
| 83 | L | A | 0.0000 | |
| 84 | K | A | -0.8874 | |
| 85 | N | A | -1.4268 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | 0.0000 | |
| 88 | T | A | -1.1068 | |
| 89 | A | A | -1.2002 | |
| 90 | F | A | 0.0000 | |
| 91 | K | A | -2.2549 | |
| 92 | N | A | -2.4588 | |
| 93 | F | A | -1.4674 | |
| 94 | F | A | -1.4331 | |
| 95 | K | A | -3.2859 | |
| 96 | S | A | -3.1154 | |
| 97 | K | A | -3.6534 | |
| 98 | E | A | -3.2901 | |
| 99 | A | A | -2.4651 | |
| 100 | G | A | -3.0494 | |
| 101 | K | A | -3.8240 | |
| 102 | K | A | -3.4492 | |
| 103 | N | A | -2.6250 | |
| 104 | V | A | -1.5073 | |
| 105 | G | A | -1.0344 | |
| 106 | F | A | -0.6346 | |
| 107 | P | A | -0.8757 | |
| 108 | R | A | -1.0592 | |
| 109 | F | A | -0.5522 | |
| 110 | R | A | -0.9956 | |
| 111 | K | A | -1.6687 | |
| 112 | K | A | -2.0366 | |
| 113 | R | A | -2.1635 | |
| 114 | T | A | -1.3926 | |
| 115 | G | A | -1.2419 | |
| 116 | E | A | -1.2278 | |
| 117 | S | A | -0.5508 | |
| 118 | Y | A | 0.0000 | |
| 119 | R | A | -0.5066 | |
| 120 | T | A | -0.7956 | |
| 121 | Q | A | -1.2079 | |
| 122 | F | A | -1.1236 | |
| 123 | T | A | -1.8880 | |
| 124 | N | A | -2.1541 | |
| 125 | N | A | -2.3364 | |
| 126 | N | A | -2.1780 | |
| 127 | I | A | -1.2244 | |
| 128 | Q | A | -1.0136 | |
| 129 | I | A | -0.6436 | |
| 130 | G | A | -1.2829 | |
| 131 | E | A | -2.1728 | |
| 132 | G | A | -1.8646 | |
| 133 | R | A | 0.0000 | |
| 134 | L | A | -0.0276 | |
| 135 | K | A | 0.0257 | |
| 136 | L | A | 0.1576 | |
| 137 | P | A | -0.7865 | |
| 138 | K | A | -1.1325 | |
| 139 | I | A | -1.0623 | |
| 140 | G | A | 0.0767 | |
| 141 | W | A | 0.9059 | |
| 142 | I | A | 0.3362 | |
| 143 | K | A | -1.2902 | |
| 144 | F | A | -1.2208 | |
| 145 | R | A | -2.7654 | |
| 146 | Q | A | -2.4453 | |
| 147 | H | A | -2.6572 | |
| 148 | R | A | -3.4862 | |
| 149 | K | A | -3.3907 | |
| 150 | I | A | -2.0818 | |
| 151 | E | A | -2.9849 | |
| 152 | G | A | -2.7559 | |
| 153 | K | A | -3.0740 | |
| 154 | I | A | -2.2552 | |
| 155 | K | A | -2.6903 | |
| 156 | N | A | -1.3390 | |
| 157 | V | A | 0.0545 | |
| 158 | T | A | 0.0940 | |
| 159 | V | A | 0.2462 | |
| 160 | R | A | -0.2711 | |
| 161 | R | A | 0.0000 | |
| 162 | I | A | -0.0311 | |
| 163 | H | A | -1.4444 | |
| 164 | E | A | -1.7580 | |
| 165 | G | A | -1.6328 | |
| 166 | H | A | -0.9438 | |
| 167 | Y | A | 0.0000 | |
| 168 | E | A | -0.1998 | |
| 169 | A | A | 0.1337 | |
| 170 | S | A | 0.4225 | |
| 171 | V | A | 0.5261 | |
| 172 | L | A | -0.7234 | |
| 173 | C | A | 0.0000 | |
| 174 | E | A | 0.0000 | |
| 175 | V | A | -1.4531 | |
| 176 | E | A | -1.2934 | |
| 177 | I | A | 0.2092 | |
| 178 | P | A | 0.4636 | |
| 179 | Y | A | 1.1362 | |
| 180 | L | A | 1.2033 | |
| 181 | P | A | 0.3353 | |
| 182 | A | A | -0.4934 | |
| 183 | A | A | -1.6149 | |
| 184 | P | A | -2.0673 | |
| 185 | K | A | -2.8910 | |
| 186 | K | A | -2.7173 | |
| 187 | V | A | -1.4013 | |
| 188 | L | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | D | A | -0.5134 | |
| 192 | I | A | -0.2779 | |
| 193 | G | A | -0.3766 | |
| 194 | I | A | -0.2719 | |
| 195 | K | A | -1.9032 | |
| 196 | N | A | 0.0000 | |
| 197 | F | A | 0.0000 | |
| 198 | A | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | S | A | -0.1985 | |
| 202 | D | A | -0.7513 | |
| 203 | G | A | 0.0000 | |
| 204 | W | A | -1.0058 | |
| 205 | E | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | N | A | -1.6847 | |
| 208 | N | A | -1.0148 | |
| 209 | P | A | -1.2619 | |
| 210 | G | A | -1.7495 | |
| 211 | L | A | -1.6183 | |
| 212 | L | A | -2.2493 | |
| 213 | R | A | -3.3492 | |
| 214 | K | A | -3.6582 | |
| 215 | Y | A | 0.0000 | |
| 216 | A | A | -3.5401 | |
| 217 | R | A | -4.1522 | |
| 218 | L | A | -3.6602 | |
| 219 | E | A | -3.9865 | |
| 220 | K | A | -3.9918 | |
| 221 | R | A | -2.9304 | |
| 222 | L | A | -2.3441 | |
| 223 | R | A | -2.0502 | |
| 224 | K | A | -1.9297 | |
| 225 | A | A | -1.3188 | |
| 226 | Q | A | -1.3181 | |
| 227 | Q | A | -1.5918 | |
| 228 | T | A | -1.3449 | |
| 229 | L | A | -1.4444 | |
| 230 | S | A | -1.4316 | |
| 231 | R | A | -1.9515 | |
| 232 | R | A | -1.8953 | |
| 233 | K | A | -1.9874 | |
| 234 | K | A | -2.4765 | |
| 235 | G | A | -1.6529 | |
| 236 | S | A | -1.3676 | |
| 237 | A | A | -1.0714 | |
| 238 | R | A | -1.5512 | |
| 239 | Y | A | 0.0000 | |
| 240 | G | A | -1.3060 | |
| 241 | K | A | -0.7122 | |
| 242 | A | A | 0.0000 | |
| 243 | K | A | -0.7505 | |
| 244 | A | A | -0.4988 | |
| 245 | I | A | -0.5118 | |
| 246 | I | A | -1.1805 | |
| 247 | A | A | -1.5055 | |
| 248 | R | A | -2.9003 | |
| 249 | L | A | 0.0000 | |
| 250 | H | A | -3.1757 | |
| 251 | E | A | -4.3276 | |
| 252 | R | A | -4.2793 | |
| 253 | I | A | -3.6174 | |
| 254 | D | A | -3.8746 | |
| 255 | N | A | -3.9403 | |
| 256 | E | A | -3.0074 | |
| 257 | R | A | -2.4717 | |
| 258 | K | A | -3.1406 | |
| 259 | D | A | -2.6712 | |
| 260 | F | A | -1.6667 | |
| 261 | L | A | 0.0000 | |
| 262 | H | A | -2.7201 | |
| 263 | K | A | -2.7879 | |
| 264 | V | A | 0.0000 | |
| 265 | S | A | 0.0000 | |
| 266 | T | A | -2.2947 | |
| 267 | R | A | -3.2521 | |
| 268 | I | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | R | A | -3.0852 | |
| 271 | E | A | -3.0745 | |
| 272 | Y | A | -2.7064 | |
| 273 | D | A | -2.8294 | |
| 274 | V | A | -1.8372 | |
| 275 | V | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | I | A | 0.0000 | |
| 278 | E | A | -1.5814 | |
| 279 | D | A | -2.4256 | |
| 280 | L | A | -1.8725 | |
| 281 | N | A | -2.4920 | |
| 282 | I | A | -2.1488 | |
| 283 | D | A | -2.9272 | |
| 284 | N | A | -2.5086 | |
| 285 | M | A | -2.1325 | |
| 286 | R | A | -2.8265 | |
| 287 | K | A | -2.4153 | |
| 288 | N | A | -2.6386 | |
| 289 | R | A | -2.9189 | |
| 290 | R | A | -2.8272 | |
| 291 | L | A | -2.0642 | |
| 292 | A | A | -2.9234 | |
| 293 | R | A | -3.0558 | |
| 294 | A | A | -2.1505 | |
| 295 | I | A | 0.0000 | |
| 296 | E | A | -2.8305 | |
| 297 | D | A | -1.9654 | |
| 298 | I | A | 0.0000 | |
| 299 | G | A | 0.0000 | |
| 300 | F | A | 0.0000 | |
| 301 | H | A | -2.0825 | |
| 302 | E | A | -1.9890 | |
| 303 | F | A | 0.0000 | |
| 304 | F | A | -1.2511 | |
| 305 | R | A | -2.3269 | |
| 306 | M | A | -1.7368 | |
| 307 | L | A | 0.0000 | |
| 308 | E | A | -1.3318 | |
| 309 | Y | A | -0.5398 | |
| 310 | K | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | A | A | -0.3178 | |
| 313 | W | A | 0.3818 | |
| 314 | Y | A | -0.2769 | |
| 315 | N | A | -1.3104 | |
| 316 | K | A | -1.7882 | |
| 317 | E | A | -1.9125 | |
| 318 | I | A | -1.1328 | |
| 319 | L | A | -0.7750 | |
| 320 | R | A | -2.3549 | |
| 321 | I | A | -1.7212 | |
| 322 | D | A | -2.3025 | |
| 323 | R | A | -1.5179 | |
| 324 | W | A | 0.0809 | |
| 325 | F | A | 0.3306 | |
| 326 | P | A | -0.3836 | |
| 327 | S | A | 0.0000 | |
| 328 | S | A | -1.5516 | |
| 329 | K | A | -1.7537 | |
| 330 | T | A | -0.6724 | |
| 331 | C | A | -0.4261 | |
| 332 | H | A | -0.3120 | |
| 333 | D | A | -0.4713 | |
| 334 | C | A | 0.2527 | |
| 335 | G | A | 0.1954 | |
| 336 | Y | A | 0.5451 | |
| 337 | T | A | -0.8038 | |
| 338 | K | A | -2.2999 | |
| 339 | K | A | -2.8454 | |
| 340 | G | A | -2.6296 | |
| 341 | E | A | -3.1848 | |
| 342 | K | A | -2.9275 | |
| 343 | D | A | -2.4234 | |
| 344 | L | A | -1.5280 | |
| 345 | N | A | -1.9836 | |
| 346 | V | A | -1.7085 | |
| 347 | R | A | -2.7043 | |
| 348 | E | A | -2.1781 | |
| 349 | W | A | 0.0000 | |
| 350 | K | A | -2.4062 | |
| 351 | C | A | -1.4961 | |
| 352 | P | A | -1.3011 | |
| 353 | N | A | -1.2093 | |
| 354 | C | A | -0.4982 | |
| 355 | G | A | -1.4649 | |
| 356 | K | A | -1.4984 | |
| 357 | T | A | 0.0000 | |
| 358 | W | A | 0.0000 | |
| 359 | D | A | -1.4757 | |
| 360 | R | A | -1.6122 | |
| 361 | D | A | -1.0414 | |
| 362 | V | A | -0.5450 | |
| 363 | N | A | -0.7050 | |
| 364 | A | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | L | A | -0.0885 | |
| 367 | N | A | -0.2857 | |
| 368 | I | A | 0.0000 | |
| 369 | R | A | 0.0000 | |
| 370 | R | A | 0.0556 | |
| 371 | E | A | 0.1724 | |
| 372 | A | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | V | A | 0.5311 | |
| 375 | A | A | 0.3041 | |
| 376 | L | A | 0.3902 | |
| 377 | G | A | -0.3777 | |
| 378 | E | A | -1.0810 | |
| 379 | P | A | -0.2545 | |
| 380 | V | A | 0.4773 | |
| 381 | P | A | -1.0321 | |
| 382 | E | A | -2.3621 | |
| 383 | E | A | -2.4638 | |
| 384 | P | A | -1.4053 | |
| 385 | I | A | -0.4702 | |
| 386 | T | A | -0.8975 | |
| 387 | V | A | 0.0000 | |
| 388 | E | A | -2.4989 | |
| 389 | E | A | -2.2759 | |
| 390 | L | A | -2.0000 | |
| 391 | L | A | -2.7695 | |
| 392 | E | A | -3.5331 | |
| 393 | N | A | -3.0954 | |
| 394 | A | A | -2.6854 | |
| 395 | K | A | -2.5213 | |
| 396 | T | A | -1.6784 | |
| 397 | G | A | -1.5394 | |
| 398 | S | A | -1.6117 | |
| 399 | L | A | 0.0000 | |
| 400 | R | A | -3.0485 | |
| 401 | H | A | -2.5975 | |
| 402 | R | A | -2.4280 | |
| 403 | L | A | 0.0000 | |
| 404 | E | A | -3.2269 | |
| 405 | K | A | -3.0715 | |
| 406 | L | A | -1.8095 | |
| 407 | L | A | -1.3823 | |
| 408 | E | A | -2.2362 |
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