| Chain sequence(s) |
A: MEEPQSDPSVEPPLSQETFSDLWKLLPENNVLSPLPSQAMDDLMLSPDDIEQWFTEDPGPDEAPRMPEAAPPVAPAPAAPTPAAPAPAPSWPLSSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENLRKKGEPHHELPPGSTKRALPNNTSSSPQPKKKPLDGEYFTLQIRGRERFEMFRELNEALELKDAQAGKEPGGSRAHSSHLKSKKGQSTSRHKKLMFKTEGPDSD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | PS359A,EA358A,KA357A,GA356A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.74686 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] FoldX: Building mutant model (00:08:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:42)
[INFO] Main: Simulation completed successfully. (00:11:46)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | -0.2343 | |
| 2 | E | A | -2.3692 | |
| 3 | E | A | -2.9120 | |
| 4 | P | A | -2.3862 | |
| 5 | Q | A | -2.4805 | |
| 6 | S | A | -1.9835 | |
| 7 | D | A | -2.1242 | |
| 8 | P | A | -1.1822 | |
| 9 | S | A | -0.4104 | |
| 10 | V | A | 0.3981 | |
| 11 | E | A | -1.0196 | |
| 12 | P | A | -0.4735 | |
| 13 | P | A | -0.0291 | |
| 14 | L | A | 0.6746 | |
| 15 | S | A | -0.4748 | |
| 16 | Q | A | -1.4765 | |
| 17 | E | A | -2.0585 | |
| 18 | T | A | -0.5732 | |
| 19 | F | A | 0.3307 | |
| 20 | S | A | -0.5833 | |
| 21 | D | A | -1.0301 | |
| 22 | L | A | 1.0161 | |
| 23 | W | A | 1.4008 | |
| 24 | K | A | -0.4118 | |
| 25 | L | A | 1.3772 | |
| 26 | L | A | 1.1809 | |
| 27 | P | A | -0.5896 | |
| 28 | E | A | -2.1553 | |
| 29 | N | A | -1.9556 | |
| 30 | N | A | -1.0000 | |
| 31 | V | A | 1.1090 | |
| 32 | L | A | 1.9491 | |
| 33 | S | A | 1.0429 | |
| 34 | P | A | 0.9261 | |
| 35 | L | A | 1.2535 | |
| 36 | P | A | -0.0105 | |
| 37 | S | A | -0.4468 | |
| 38 | Q | A | -1.1760 | |
| 39 | A | A | -0.9089 | |
| 40 | M | A | -0.3476 | |
| 41 | D | A | -1.7334 | |
| 42 | D | A | -1.0831 | |
| 43 | L | A | 1.3688 | |
| 44 | M | A | 1.6734 | |
| 45 | L | A | 1.6149 | |
| 46 | S | A | 0.0519 | |
| 47 | P | A | -1.0054 | |
| 48 | D | A | -2.5762 | |
| 49 | D | A | -2.2051 | |
| 50 | I | A | -0.1019 | |
| 51 | E | A | -1.6545 | |
| 52 | Q | A | -0.9448 | |
| 53 | W | A | 1.0666 | |
| 54 | F | A | 1.4271 | |
| 55 | T | A | -0.5703 | |
| 56 | E | A | -2.2112 | |
| 57 | D | A | -2.6898 | |
| 58 | P | A | -1.8376 | |
| 59 | G | A | -1.4027 | |
| 60 | P | A | -1.7609 | |
| 61 | D | A | -2.8707 | |
| 62 | E | A | -2.7572 | |
| 63 | A | A | -1.7045 | |
| 64 | P | A | -1.2509 | |
| 65 | R | A | -1.5028 | |
| 66 | M | A | -0.3668 | |
| 67 | P | A | -0.9926 | |
| 68 | E | A | -1.7002 | |
| 69 | A | A | -0.9090 | |
| 70 | A | A | -0.2978 | |
| 71 | P | A | 0.0220 | |
| 72 | P | A | 0.4866 | |
| 73 | V | A | 1.5780 | |
| 74 | A | A | 0.7286 | |
| 75 | P | A | 0.1767 | |
| 76 | A | A | 0.0825 | |
| 77 | P | A | -0.2716 | |
| 78 | A | A | -0.1240 | |
| 79 | A | A | -0.1419 | |
| 80 | P | A | -0.3331 | |
| 81 | T | A | -0.2714 | |
| 82 | P | A | -0.3389 | |
| 83 | A | A | -0.1514 | |
| 84 | A | A | -0.1321 | |
| 85 | P | A | -0.2785 | |
| 86 | A | A | -0.1864 | |
| 87 | P | A | -0.3556 | |
| 88 | A | A | -0.1699 | |
| 89 | P | A | -0.1967 | |
| 90 | S | A | 0.1733 | |
| 91 | W | A | 0.9964 | |
| 92 | P | A | 0.8945 | |
| 93 | L | A | 1.5225 | |
| 94 | S | A | 0.6373 | |
| 95 | S | A | 0.2373 | |
| 96 | S | A | 0.0426 | |
| 97 | V | A | 0.6508 | |
| 98 | P | A | -0.0180 | |
| 99 | S | A | -0.7853 | |
| 100 | Q | A | -1.4371 | |
| 101 | K | A | -1.9761 | |
| 102 | T | A | -1.0200 | |
| 103 | Y | A | -0.1158 | |
| 104 | Q | A | -0.6680 | |
| 105 | G | A | -0.0595 | |
| 106 | S | A | -0.3743 | |
| 107 | Y | A | -0.6407 | |
| 108 | G | A | -0.8198 | |
| 109 | F | A | 0.0000 | |
| 110 | R | A | -0.9110 | |
| 111 | L | A | -0.2524 | |
| 112 | G | A | 0.1099 | |
| 113 | F | A | 0.5286 | |
| 114 | L | A | 0.9284 | |
| 115 | H | A | -0.3984 | |
| 116 | S | A | -0.2397 | |
| 117 | G | A | -0.7178 | |
| 118 | T | A | -1.2794 | |
| 119 | A | A | -1.2823 | |
| 120 | K | A | -2.0727 | |
| 121 | S | A | -1.0698 | |
| 122 | V | A | -0.6105 | |
| 123 | T | A | -0.3937 | |
| 124 | C | A | 0.0009 | |
| 125 | T | A | 0.0000 | |
| 126 | Y | A | -0.0066 | |
| 127 | S | A | 0.0000 | |
| 128 | P | A | -0.5202 | |
| 129 | A | A | -0.3378 | |
| 130 | L | A | -0.1961 | |
| 131 | N | A | -0.7170 | |
| 132 | K | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | Q | A | -0.4345 | |
| 137 | L | A | -0.1835 | |
| 138 | A | A | -0.5720 | |
| 139 | K | A | -1.0643 | |
| 140 | T | A | -0.8439 | |
| 141 | C | A | 0.0000 | |
| 142 | P | A | -0.2084 | |
| 143 | V | A | 0.0000 | |
| 144 | Q | A | -0.2125 | |
| 145 | L | A | 0.0000 | |
| 146 | W | A | -0.7484 | |
| 147 | V | A | -1.0998 | |
| 148 | D | A | -2.0766 | |
| 149 | S | A | -1.0038 | |
| 150 | T | A | -0.7107 | |
| 151 | P | A | 0.0000 | |
| 152 | P | A | -0.4530 | |
| 153 | P | A | -0.8311 | |
| 154 | G | A | -1.0464 | |
| 155 | T | A | 0.0000 | |
| 156 | R | A | -1.0115 | |
| 157 | V | A | 0.0000 | |
| 158 | R | A | -0.5051 | |
| 159 | A | A | 0.0000 | |
| 160 | M | A | 0.0697 | |
| 161 | A | A | -0.0762 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | K | A | -1.2773 | |
| 165 | Q | A | -1.4271 | |
| 166 | S | A | -1.2298 | |
| 167 | Q | A | -1.6836 | |
| 168 | H | A | -1.2974 | |
| 169 | M | A | -0.6348 | |
| 170 | T | A | -0.1173 | |
| 171 | E | A | -0.1386 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | -0.5542 | |
| 175 | R | A | 0.0000 | |
| 176 | C | A | 0.0000 | |
| 177 | P | A | -1.2953 | |
| 178 | H | A | -1.6859 | |
| 179 | H | A | -1.8503 | |
| 180 | E | A | -2.2143 | |
| 181 | R | A | -2.6335 | |
| 182 | C | A | -1.5304 | |
| 183 | S | A | -1.7610 | |
| 184 | D | A | -2.6474 | |
| 185 | S | A | -2.0889 | |
| 186 | D | A | -2.2563 | |
| 187 | G | A | -1.2249 | |
| 188 | L | A | 0.0637 | |
| 189 | A | A | 0.0000 | |
| 190 | P | A | -0.5036 | |
| 191 | P | A | -1.3367 | |
| 192 | Q | A | -1.0430 | |
| 193 | H | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | E | A | -1.5901 | |
| 199 | G | A | -1.1258 | |
| 200 | N | A | -0.9342 | |
| 201 | L | A | 0.1345 | |
| 202 | R | A | -1.6761 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -1.9565 | |
| 205 | Y | A | -1.0768 | |
| 206 | L | A | -1.2098 | |
| 207 | D | A | -2.4837 | |
| 208 | D | A | -2.6558 | |
| 209 | R | A | -3.0759 | |
| 210 | N | A | -2.4993 | |
| 211 | T | A | -1.3805 | |
| 212 | F | A | -0.8670 | |
| 213 | R | A | 0.0000 | |
| 214 | H | A | -0.8481 | |
| 215 | S | A | -0.6180 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | P | A | -1.4506 | |
| 220 | Y | A | -1.0445 | |
| 221 | E | A | -2.0167 | |
| 222 | P | A | -1.4301 | |
| 223 | P | A | -1.5703 | |
| 224 | E | A | -1.7440 | |
| 225 | V | A | 0.3284 | |
| 226 | G | A | -0.5436 | |
| 227 | S | A | -1.2628 | |
| 228 | D | A | -2.1763 | |
| 229 | C | A | 0.0000 | |
| 230 | T | A | -1.1280 | |
| 231 | T | A | -0.5924 | |
| 232 | I | A | 0.0000 | |
| 233 | H | A | -1.1617 | |
| 234 | Y | A | 0.0000 | |
| 235 | N | A | -0.7332 | |
| 236 | Y | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | C | A | 0.0000 | |
| 239 | N | A | -0.6798 | |
| 240 | S | A | 0.0000 | |
| 241 | S | A | -1.3753 | |
| 242 | C | A | -0.6916 | |
| 243 | M | A | -0.1206 | |
| 244 | G | A | -0.5016 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | N | A | -2.0345 | |
| 248 | R | A | -2.5999 | |
| 249 | R | A | -1.9485 | |
| 250 | P | A | -1.3799 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 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 | -1.0258 | |
| 260 | S | A | -1.0241 | |
| 261 | S | A | -0.9428 | |
| 262 | G | A | -1.0356 | |
| 263 | N | A | -1.2679 | |
| 264 | L | A | -0.0497 | |
| 265 | L | A | 0.0333 | |
| 266 | G | A | 0.0000 | |
| 267 | R | A | -0.6078 | |
| 268 | N | A | -0.8384 | |
| 269 | S | A | -0.7240 | |
| 270 | F | A | 0.0000 | |
| 271 | E | A | -0.5753 | |
| 272 | V | A | 0.0000 | |
| 273 | R | A | -0.9935 | |
| 274 | V | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | A | A | -0.3606 | |
| 277 | C | A | -0.7786 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | R | A | -2.4070 | |
| 281 | D | A | 0.0000 | |
| 282 | R | A | -1.7221 | |
| 283 | R | A | -2.2130 | |
| 284 | T | A | -1.8131 | |
| 285 | E | A | -1.6834 | |
| 286 | E | A | -1.9264 | |
| 287 | E | A | -2.1008 | |
| 288 | N | A | -1.9563 | |
| 289 | L | A | -1.5320 | |
| 290 | R | A | -3.1048 | |
| 291 | K | A | -3.2312 | |
| 292 | K | A | -2.9878 | |
| 293 | G | A | -2.9090 | |
| 294 | E | A | -3.5579 | |
| 295 | P | A | -3.0893 | |
| 296 | H | A | -2.8508 | |
| 297 | H | A | -2.5379 | |
| 298 | E | A | -2.1413 | |
| 299 | L | A | 0.0416 | |
| 300 | P | A | -0.3784 | |
| 301 | P | A | -0.5527 | |
| 302 | G | A | -0.5563 | |
| 303 | S | A | -1.2294 | |
| 304 | T | A | -1.5477 | |
| 305 | K | A | -2.5539 | |
| 306 | R | A | -2.4028 | |
| 307 | A | A | -0.7212 | |
| 308 | L | A | 0.5713 | |
| 309 | P | A | -0.6355 | |
| 310 | N | A | -1.6801 | |
| 311 | N | A | -2.0574 | |
| 312 | T | A | -1.1633 | |
| 313 | S | A | -0.6887 | |
| 314 | S | A | -0.6263 | |
| 315 | S | A | -0.8299 | |
| 316 | P | A | -1.2680 | |
| 317 | Q | A | -2.1848 | |
| 318 | P | A | -2.5325 | |
| 319 | K | A | -3.5082 | |
| 320 | K | A | -3.4397 | |
| 321 | K | A | -3.0726 | |
| 322 | P | A | -1.9334 | |
| 323 | L | A | -0.8981 | |
| 324 | D | A | -2.6903 | |
| 325 | G | A | -2.0821 | |
| 326 | E | A | -1.1425 | |
| 327 | Y | A | 1.2529 | |
| 328 | F | A | 2.3160 | |
| 329 | T | A | 1.4667 | |
| 330 | L | A | 1.6435 | |
| 331 | Q | A | -0.3928 | |
| 332 | I | A | -1.4066 | |
| 333 | R | A | -2.7606 | |
| 334 | G | A | -3.3102 | |
| 335 | R | A | -3.8135 | |
| 336 | E | A | -4.1010 | |
| 337 | R | A | -3.6340 | |
| 338 | F | A | -2.4893 | |
| 339 | E | A | -3.5508 | |
| 340 | M | A | -2.0526 | |
| 341 | F | A | -1.3769 | |
| 342 | R | A | -3.3854 | |
| 343 | E | A | -2.9189 | |
| 344 | L | A | -1.2003 | |
| 345 | N | A | -2.5284 | |
| 346 | E | A | -2.9070 | |
| 347 | A | A | -1.5589 | |
| 348 | L | A | -1.3819 | |
| 349 | E | A | -2.4509 | |
| 350 | L | A | -1.0066 | |
| 351 | K | A | -2.6054 | |
| 352 | D | A | -2.9211 | |
| 353 | A | A | -1.9577 | |
| 354 | Q | A | -1.9982 | |
| 355 | A | A | -1.5115 | |
| 356 | A | A | -1.0678 | mutated: GA356A |
| 357 | A | A | -0.5837 | mutated: KA357A |
| 358 | A | A | -0.4564 | mutated: EA358A |
| 359 | S | A | -0.5387 | mutated: PS359A |
| 360 | G | A | -1.0355 | |
| 361 | G | A | -1.3445 | |
| 362 | S | A | -1.5995 | |
| 363 | R | A | -2.4032 | |
| 364 | A | A | -1.5418 | |
| 365 | H | A | -1.7999 | |
| 366 | S | A | -1.1129 | |
| 367 | S | A | -0.9090 | |
| 368 | H | A | -1.0607 | |
| 369 | L | A | -0.0981 | |
| 370 | K | A | -1.9921 | |
| 371 | S | A | -2.0494 | |
| 372 | K | A | -3.1292 | |
| 373 | K | A | -3.2342 | |
| 374 | G | A | -2.3694 | |
| 375 | Q | A | -2.0792 | |
| 376 | S | A | -0.9950 | |
| 377 | T | A | -0.9200 | |
| 378 | S | A | -1.4686 | |
| 379 | R | A | -2.8135 | |
| 380 | H | A | -3.0515 | |
| 381 | K | A | -2.9670 | |
| 382 | K | A | -1.5410 | |
| 383 | L | A | 1.0612 | |
| 384 | M | A | 1.7226 | |
| 385 | F | A | 1.6230 | |
| 386 | K | A | -0.8113 | |
| 387 | T | A | -1.2709 | |
| 388 | E | A | -2.3436 | |
| 389 | G | A | -1.8365 | |
| 390 | P | A | -1.8103 | |
| 391 | D | A | -2.5043 | |
| 392 | S | A | -2.0562 | |
| 393 | D | A | -2.2957 |
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