| Chain sequence(s) |
A: MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPLSSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEPHHELPPGSTKRALPNNTSSSPQPKKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPGGSRAHSSHLKSKKGQSTSRHKKLMFKTEGPDSD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | CR124A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.393361 kcal/mol |
| 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] FoldX: Building mutant model (00:01:47)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:55)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:36)
[INFO] Main: Simulation completed successfully. (00:03:39)
|
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 | 0.7259 | |
| 2 | E | A | -1.9595 | |
| 3 | E | A | -2.1944 | |
| 4 | P | A | -0.7942 | |
| 5 | Q | A | -1.2825 | |
| 6 | S | A | -0.7503 | |
| 7 | D | A | -1.8724 | |
| 8 | P | A | -0.6075 | |
| 9 | S | A | 0.0645 | |
| 10 | V | A | 1.4004 | |
| 11 | E | A | -1.5405 | |
| 12 | P | A | -0.6254 | |
| 13 | P | A | -0.0221 | |
| 14 | L | A | 1.4816 | |
| 15 | S | A | -0.0478 | |
| 16 | Q | A | -1.5425 | |
| 17 | E | A | -2.0402 | |
| 18 | T | A | -0.1897 | |
| 19 | F | A | 0.9065 | |
| 20 | S | A | -0.3353 | |
| 21 | D | A | -1.6996 | |
| 22 | L | A | 0.5701 | |
| 23 | W | A | 1.0061 | |
| 24 | K | A | -1.2109 | |
| 25 | L | A | 1.5211 | |
| 26 | L | A | 1.7807 | |
| 27 | P | A | -0.3030 | |
| 28 | E | A | -2.0911 | |
| 29 | N | A | -1.8299 | |
| 30 | N | A | -1.1889 | |
| 31 | V | A | 1.8267 | |
| 32 | L | A | 1.8315 | |
| 33 | S | A | 0.0298 | |
| 34 | P | A | -0.0194 | |
| 35 | L | A | 1.4349 | |
| 36 | P | A | 0.1177 | |
| 37 | S | A | -0.4697 | |
| 38 | Q | A | -1.2217 | |
| 39 | A | A | -0.0320 | |
| 40 | M | A | 0.7438 | |
| 41 | D | A | -1.9617 | |
| 42 | D | A | -1.8777 | |
| 43 | L | A | 1.4356 | |
| 44 | M | A | 1.6338 | |
| 45 | L | A | 1.7002 | |
| 46 | S | A | 0.0274 | |
| 47 | P | A | -0.6124 | |
| 48 | D | A | -2.1487 | |
| 49 | D | A | -1.7500 | |
| 50 | I | A | 1.3779 | |
| 51 | E | A | -1.6772 | |
| 52 | Q | A | -1.3097 | |
| 53 | W | A | 1.3287 | |
| 54 | F | A | 2.1442 | |
| 55 | T | A | -0.0416 | |
| 56 | E | A | -2.1620 | |
| 57 | D | A | -2.1690 | |
| 58 | P | A | -0.6562 | |
| 59 | G | A | -0.5592 | |
| 60 | P | A | -0.6758 | |
| 61 | D | A | -2.1682 | |
| 62 | E | A | -2.1346 | |
| 63 | A | A | -0.3262 | |
| 64 | P | A | -0.5682 | |
| 65 | R | A | -1.7027 | |
| 66 | M | A | 0.6680 | |
| 67 | P | A | -0.3409 | |
| 68 | E | A | -1.8557 | |
| 69 | A | A | -0.2536 | |
| 70 | A | A | 0.0092 | |
| 71 | P | A | -0.2959 | |
| 72 | P | A | 0.0089 | |
| 73 | V | A | 1.7374 | |
| 74 | A | A | 0.3297 | |
| 75 | P | A | -0.2336 | |
| 76 | A | A | -0.0335 | |
| 77 | P | A | -0.2338 | |
| 78 | A | A | 0.0225 | |
| 79 | A | A | 0.0232 | |
| 80 | P | A | -0.2574 | |
| 81 | T | A | -0.1630 | |
| 82 | P | A | -0.2568 | |
| 83 | A | A | 0.0222 | |
| 84 | A | A | 0.0233 | |
| 85 | P | A | -0.2337 | |
| 86 | A | A | -0.0341 | |
| 87 | P | A | -0.2338 | |
| 88 | A | A | -0.0338 | |
| 89 | P | A | -0.2834 | |
| 90 | S | A | -0.0949 | |
| 91 | W | A | 0.8244 | |
| 92 | P | A | 0.2416 | |
| 93 | L | A | 1.5098 | |
| 94 | S | A | 0.0000 | |
| 95 | S | A | -0.2426 | |
| 96 | S | A | -0.1319 | |
| 97 | V | A | 0.3606 | |
| 98 | P | A | 0.0023 | |
| 99 | S | A | -0.3039 | |
| 100 | Q | A | -1.2930 | |
| 101 | K | A | -1.8796 | |
| 102 | T | A | -0.2460 | |
| 103 | Y | A | 0.4460 | |
| 104 | Q | A | -0.9218 | |
| 105 | G | A | -0.3411 | |
| 106 | S | A | -0.1920 | |
| 107 | Y | A | 0.1887 | |
| 108 | G | A | -0.1291 | |
| 109 | F | A | 0.0000 | |
| 110 | R | A | -0.7262 | |
| 111 | L | A | 0.0363 | |
| 112 | G | A | 0.0001 | |
| 113 | F | A | 0.4387 | |
| 114 | L | A | 0.6850 | |
| 115 | H | A | -0.8467 | |
| 116 | S | A | -0.2967 | |
| 117 | G | A | -0.4744 | |
| 118 | T | A | -0.0879 | |
| 119 | A | A | -0.2472 | |
| 120 | K | A | -1.7278 | |
| 121 | S | A | -0.4710 | |
| 122 | V | A | 0.2106 | |
| 123 | T | A | -0.0420 | |
| 124 | R | A | -0.2951 | mutated: CR124A |
| 125 | T | A | 0.0000 | |
| 126 | Y | A | 0.1490 | |
| 127 | S | A | 0.0000 | |
| 128 | P | A | -0.3196 | |
| 129 | A | A | 0.0594 | |
| 130 | L | A | 0.1365 | |
| 131 | N | A | -0.7237 | |
| 132 | K | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | Q | A | -0.2231 | |
| 137 | L | A | 0.4193 | |
| 138 | A | A | -0.0415 | |
| 139 | K | A | -0.8370 | |
| 140 | T | A | -0.1741 | |
| 141 | C | A | 0.0000 | |
| 142 | P | A | -0.0817 | |
| 143 | V | A | 0.0000 | |
| 144 | Q | A | -0.2145 | |
| 145 | L | A | 0.0000 | |
| 146 | W | A | 0.2925 | |
| 147 | V | A | -0.0679 | |
| 148 | D | A | -1.7893 | |
| 149 | S | A | -0.5464 | |
| 150 | T | A | -0.1095 | |
| 151 | P | A | 0.0000 | |
| 152 | P | A | -0.1601 | |
| 153 | P | A | -0.3563 | |
| 154 | G | A | -0.5156 | |
| 155 | T | A | 0.0000 | |
| 156 | R | A | -0.2654 | |
| 157 | V | A | 0.0000 | |
| 158 | R | A | -0.2871 | |
| 159 | A | A | 0.0000 | |
| 160 | M | A | 0.1144 | |
| 161 | A | A | 0.0267 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | K | A | -1.5915 | |
| 165 | Q | A | -1.0619 | |
| 166 | S | A | -0.5646 | |
| 167 | Q | A | -1.2651 | |
| 168 | H | A | -0.3048 | |
| 169 | M | A | 0.3536 | |
| 170 | T | A | -0.0096 | |
| 171 | E | A | -0.3247 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | -0.2271 | |
| 175 | R | A | 0.0000 | |
| 176 | C | A | 0.0000 | |
| 177 | P | A | -0.3345 | |
| 178 | H | A | -0.9945 | |
| 179 | H | A | -0.4462 | |
| 180 | E | A | -1.1797 | |
| 181 | R | A | -1.8777 | |
| 182 | C | A | 0.2174 | |
| 183 | S | A | -0.3167 | |
| 184 | D | A | -1.2542 | |
| 185 | S | A | -0.6423 | |
| 186 | D | A | -1.8900 | |
| 187 | G | A | -0.6271 | |
| 188 | L | A | 0.7802 | |
| 189 | A | A | 0.0000 | |
| 190 | P | A | -0.0861 | |
| 191 | P | A | -0.1749 | |
| 192 | Q | A | -0.2493 | |
| 193 | H | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | V | A | -0.0536 | |
| 198 | E | A | -1.2913 | |
| 199 | G | A | -0.7314 | |
| 200 | N | A | -0.0320 | |
| 201 | L | A | 1.1798 | |
| 202 | R | A | -1.5695 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -1.1293 | |
| 205 | Y | A | 0.0878 | |
| 206 | L | A | 0.3670 | |
| 207 | D | A | -1.7724 | |
| 208 | D | A | -1.5489 | |
| 209 | R | A | -2.2511 | |
| 210 | N | A | -1.6076 | |
| 211 | T | A | -0.0999 | |
| 212 | F | A | 0.6754 | |
| 213 | R | A | 0.0000 | |
| 214 | H | A | -0.3016 | |
| 215 | S | A | -0.0271 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | P | A | -0.0376 | |
| 220 | Y | A | -0.1931 | |
| 221 | E | A | -1.6355 | |
| 222 | P | A | -0.5564 | |
| 223 | P | A | -0.4394 | |
| 224 | E | A | -1.5118 | |
| 225 | V | A | 1.3606 | |
| 226 | G | A | -0.1594 | |
| 227 | S | A | -0.4800 | |
| 228 | D | A | -1.7893 | |
| 229 | C | A | -0.2486 | |
| 230 | T | A | 0.0000 | |
| 231 | T | A | -0.0629 | |
| 232 | I | A | 0.0000 | |
| 233 | H | A | -0.4471 | |
| 234 | Y | A | 0.0000 | |
| 235 | N | A | -0.1273 | |
| 236 | Y | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | C | A | 0.0000 | |
| 239 | N | A | -0.2655 | |
| 240 | S | A | -0.0998 | |
| 241 | S | A | -0.5275 | |
| 242 | C | A | 0.0000 | |
| 243 | M | A | 0.8805 | |
| 244 | G | A | -0.1275 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | N | A | -1.2403 | |
| 248 | R | A | -2.0956 | |
| 249 | R | A | -0.6188 | |
| 250 | P | A | -0.1121 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | 0.1353 | |
| 253 | T | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | D | A | -0.3395 | |
| 260 | S | A | -0.3516 | |
| 261 | S | A | -0.3231 | |
| 262 | G | A | -0.6718 | |
| 263 | N | A | -1.2287 | |
| 264 | L | A | 0.4472 | |
| 265 | L | A | 0.3499 | |
| 266 | G | A | 0.0000 | |
| 267 | R | A | -0.1865 | |
| 268 | N | A | -0.2260 | |
| 269 | S | A | -0.0528 | |
| 270 | F | A | 0.0000 | |
| 271 | E | A | -0.1566 | |
| 272 | V | A | 0.0000 | |
| 273 | R | A | -0.6305 | |
| 274 | V | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | A | A | 0.0760 | |
| 277 | C | A | 0.1089 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | R | A | -1.6358 | |
| 281 | D | A | 0.0000 | |
| 282 | R | A | -0.4201 | |
| 283 | R | A | -1.3068 | |
| 284 | T | A | -0.3432 | |
| 285 | E | A | -0.3856 | |
| 286 | E | A | -0.4816 | |
| 287 | E | A | -0.5646 | |
| 288 | N | A | -0.1418 | |
| 289 | L | A | 0.8139 | |
| 290 | R | A | -1.6408 | |
| 291 | K | A | -0.7632 | |
| 292 | K | A | -0.8750 | |
| 293 | G | A | -0.8955 | |
| 294 | E | A | -1.7650 | |
| 295 | P | A | -0.5942 | |
| 296 | H | A | -1.1849 | |
| 297 | H | A | -1.5011 | |
| 298 | E | A | -1.7202 | |
| 299 | L | A | 1.1725 | |
| 300 | P | A | -0.0245 | |
| 301 | P | A | -0.3900 | |
| 302 | G | A | -0.5552 | |
| 303 | S | A | -0.3136 | |
| 304 | T | A | -0.4234 | |
| 305 | K | A | -2.0860 | |
| 306 | R | A | -2.1773 | |
| 307 | A | A | 0.0979 | |
| 308 | L | A | 1.5175 | |
| 309 | P | A | -0.2191 | |
| 310 | N | A | -1.5506 | |
| 311 | N | A | -1.5193 | |
| 312 | T | A | -0.3871 | |
| 313 | S | A | -0.2693 | |
| 314 | S | A | -0.2948 | |
| 315 | S | A | -0.3032 | |
| 316 | P | A | -0.5147 | |
| 317 | Q | A | -1.2902 | |
| 318 | P | A | -0.7847 | |
| 319 | K | A | -2.0531 | |
| 320 | K | A | -2.3158 | |
| 321 | K | A | -2.0555 | |
| 322 | P | A | -0.3767 | |
| 323 | L | A | 0.6451 | |
| 324 | D | A | -1.6387 | |
| 325 | G | A | -0.8201 | |
| 326 | E | A | -1.6090 | |
| 327 | Y | A | 1.3372 | |
| 328 | F | A | 2.1685 | |
| 329 | T | A | 0.5195 | |
| 330 | L | A | 1.0872 | |
| 331 | Q | A | -0.8732 | |
| 332 | I | A | -0.0676 | |
| 333 | R | A | -1.8403 | |
| 334 | G | A | -1.1280 | |
| 335 | R | A | -2.2537 | |
| 336 | E | A | -2.4855 | |
| 337 | R | A | -1.9567 | |
| 338 | F | A | 0.8153 | |
| 339 | E | A | 0.0506 | |
| 340 | M | A | 0.5356 | |
| 341 | F | A | 0.5826 | |
| 342 | R | A | -0.9124 | |
| 343 | E | A | -1.8060 | |
| 344 | L | A | 0.2174 | |
| 345 | N | A | -1.3751 | |
| 346 | E | A | -1.5706 | |
| 347 | A | A | 0.0114 | |
| 348 | L | A | 1.0627 | |
| 349 | E | A | -0.8822 | |
| 350 | L | A | 0.9954 | |
| 351 | K | A | -1.7224 | |
| 352 | D | A | -1.9664 | |
| 353 | A | A | -0.3386 | |
| 354 | Q | A | -1.1861 | |
| 355 | A | A | -0.2384 | |
| 356 | G | A | -0.7546 | |
| 357 | K | A | -2.1098 | |
| 358 | E | A | -2.1722 | |
| 359 | P | A | -0.6692 | |
| 360 | G | A | -0.5977 | |
| 361 | G | A | -0.5910 | |
| 362 | S | A | -0.6405 | |
| 363 | R | A | -1.8726 | |
| 364 | A | A | -0.4679 | |
| 365 | H | A | -1.0186 | |
| 366 | S | A | -0.4351 | |
| 367 | S | A | -0.4351 | |
| 368 | H | A | -0.7505 | |
| 369 | L | A | 1.0614 | |
| 370 | K | A | -1.4514 | |
| 371 | S | A | -0.7974 | |
| 372 | K | A | -2.0448 | |
| 373 | K | A | -2.0994 | |
| 374 | G | A | -1.0583 | |
| 375 | Q | A | -1.3448 | |
| 376 | S | A | -0.4405 | |
| 377 | T | A | -0.1581 | |
| 378 | S | A | -0.5654 | |
| 379 | R | A | -2.0829 | |
| 380 | H | A | -1.6997 | |
| 381 | K | A | -2.2130 | |
| 382 | K | A | -1.7383 | |
| 383 | L | A | 1.4308 | |
| 384 | M | A | 1.6889 | |
| 385 | F | A | 1.8284 | |
| 386 | K | A | -1.3625 | |
| 387 | T | A | -0.7130 | |
| 388 | E | A | -1.9175 | |
| 389 | G | A | -0.8455 | |
| 390 | P | A | -0.6633 | |
| 391 | D | A | -1.8788 | |
| 392 | S | A | -0.9381 | |
| 393 | D | A | -1.8316 |
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