| Chain sequence(s) |
A: MLALFFSLAPLLSQALPLGYTAAPAESFYFWPENISSLQAGEIFRKRELLTLPDIFDFGPNLEKVVQVAYKTRLTDGNDSFSIASIFIPKNPSPELKLYSYQTFEDAVQLDCAPSYALEVGNKSSNYLPVTSNLSAISRELEKGRHCIIPDHEGYISGFFAGRQEGYAGLDGIRAARNYLNGTNETPIGIFGYSGGAQATAWIVDLHDEYAPDLNFVGTVSGGTLVDAWGTFQYIDYPKVYLKGSILIMYTGLFSGYPAQFEVIWPYIEPVIQENMLLLRLAPNDCNQSPILQGYNNSIMAGIHVDLPEFPASKYIFQHESLLANYSVVPVSTPKFPRYMYHGGSDELAKLSLVEQYVDQQWNTGANLTFVVYPGLLHDETAYRGFDAAMDWLDAQLDSGYLPPVNSTHT
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | LT292A,VS328A,LT281A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 1.71459 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] (00:00:00)
[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 (00:01:34)
[INFO] FoldX: Starting FoldX energy minimalization (00:01:45)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:11)
[INFO] Main: Simulation completed successfully. (00:03:13)
|
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 | 1.9819 | |
| 2 | L | A | 2.7423 | |
| 3 | A | A | 2.5344 | |
| 4 | L | A | 3.5504 | |
| 5 | F | A | 3.9883 | |
| 6 | F | A | 3.6454 | |
| 7 | S | A | 2.2258 | |
| 8 | L | A | 2.4211 | |
| 9 | A | A | 1.4260 | |
| 10 | P | A | 1.3541 | |
| 11 | L | A | 2.1429 | |
| 12 | L | A | 1.8606 | |
| 13 | S | A | 0.4581 | |
| 14 | Q | A | -0.3380 | |
| 15 | A | A | 0.1485 | |
| 16 | L | A | 0.8989 | |
| 17 | P | A | 0.4682 | |
| 18 | L | A | 0.6505 | |
| 19 | G | A | 0.7429 | |
| 20 | Y | A | 1.4906 | |
| 21 | T | A | 0.7893 | |
| 22 | A | A | 0.1270 | |
| 23 | A | A | 0.1349 | |
| 24 | P | A | -0.6736 | |
| 25 | A | A | -0.7147 | |
| 26 | E | A | -1.6857 | |
| 27 | S | A | -0.6320 | |
| 28 | F | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | F | A | 0.9798 | |
| 31 | W | A | 0.2616 | |
| 32 | P | A | 0.0000 | |
| 33 | E | A | -2.1749 | |
| 34 | N | A | -2.0475 | |
| 35 | I | A | -1.3669 | |
| 36 | S | A | -1.4400 | |
| 37 | S | A | -1.2334 | |
| 38 | L | A | -1.0007 | |
| 39 | Q | A | -1.4949 | |
| 40 | A | A | -0.9442 | |
| 41 | G | A | 0.0000 | |
| 42 | E | A | -1.3562 | |
| 43 | I | A | -0.8990 | |
| 44 | F | A | -0.9200 | |
| 45 | R | A | -2.4176 | |
| 46 | K | A | -2.6669 | |
| 47 | R | A | -1.7751 | |
| 48 | E | A | -1.2062 | |
| 49 | L | A | 0.4292 | |
| 50 | L | A | 1.3700 | |
| 51 | T | A | 0.7688 | |
| 52 | L | A | 0.4374 | |
| 53 | P | A | -0.1457 | |
| 54 | D | A | -1.2771 | |
| 55 | I | A | 0.2248 | |
| 56 | F | A | 0.0000 | |
| 57 | D | A | -1.8814 | |
| 58 | F | A | 0.0000 | |
| 59 | G | A | -1.4106 | |
| 60 | P | A | -1.4431 | |
| 61 | N | A | -2.2999 | |
| 62 | L | A | -2.1247 | |
| 63 | E | A | -2.8300 | |
| 64 | K | A | -1.4563 | |
| 65 | V | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | Q | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | A | A | 0.0000 | |
| 70 | Y | A | 0.0000 | |
| 71 | K | A | 0.0000 | |
| 72 | T | A | 0.0000 | |
| 73 | R | A | -1.3430 | |
| 74 | L | A | -1.2009 | |
| 75 | T | A | -1.2761 | |
| 76 | D | A | -2.3967 | |
| 77 | G | A | -1.9475 | |
| 78 | N | A | -2.3789 | |
| 79 | D | A | -1.8890 | |
| 80 | S | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | S | A | 0.0000 | |
| 86 | I | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | -0.9931 | |
| 89 | P | A | 0.0000 | |
| 90 | K | A | -3.1617 | |
| 91 | N | A | -2.8236 | |
| 92 | P | A | -2.1399 | |
| 93 | S | A | -1.7108 | |
| 94 | P | A | -1.3311 | |
| 95 | E | A | -1.9304 | |
| 96 | L | A | -1.1503 | |
| 97 | K | A | -1.1169 | |
| 98 | L | A | 0.0000 | |
| 99 | Y | A | 0.0000 | |
| 100 | S | A | 0.0000 | |
| 101 | Y | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | T | A | 0.0000 | |
| 104 | F | A | 0.4606 | |
| 105 | E | A | 0.0000 | |
| 106 | D | A | -0.1501 | |
| 107 | A | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | Q | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | D | A | 0.0000 | |
| 112 | C | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | S | A | 0.0000 | |
| 116 | Y | A | 0.0095 | |
| 117 | A | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | 0.5634 | |
| 120 | V | A | 1.2212 | |
| 121 | G | A | -0.1103 | |
| 122 | N | A | -0.7232 | |
| 123 | K | A | -1.8346 | |
| 124 | S | A | 0.0000 | |
| 125 | S | A | -0.6493 | |
| 126 | N | A | 0.0000 | |
| 127 | Y | A | 0.9949 | |
| 128 | L | A | 1.7943 | |
| 129 | P | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | T | A | 0.5826 | |
| 132 | S | A | 0.5668 | |
| 133 | N | A | 0.0000 | |
| 134 | L | A | -0.3743 | |
| 135 | S | A | -0.4934 | |
| 136 | A | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | -1.2255 | |
| 139 | R | A | -1.3895 | |
| 140 | E | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -2.9982 | |
| 143 | K | A | -2.4734 | |
| 144 | G | A | 0.0000 | |
| 145 | R | A | 0.0000 | |
| 146 | H | A | 0.0000 | |
| 147 | C | A | 0.0000 | |
| 148 | I | A | 0.0000 | |
| 149 | I | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | D | A | 0.0000 | |
| 152 | H | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | Y | A | 0.6327 | |
| 156 | I | A | 0.0000 | |
| 157 | S | A | 0.0000 | |
| 158 | G | A | 0.0000 | |
| 159 | F | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | R | A | -0.4327 | |
| 164 | Q | A | 0.0000 | |
| 165 | E | A | 0.0000 | |
| 166 | G | A | 0.0000 | |
| 167 | Y | A | 0.0551 | |
| 168 | A | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | D | A | 0.0000 | |
| 172 | G | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | R | A | -0.7711 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | R | A | 0.0000 | |
| 178 | N | A | -1.6699 | |
| 179 | Y | A | -0.8113 | |
| 180 | L | A | -0.6235 | |
| 181 | N | A | -1.5095 | |
| 182 | G | A | -1.6685 | |
| 183 | T | A | -1.6736 | |
| 184 | N | A | -2.2966 | |
| 185 | E | A | -1.7244 | |
| 186 | T | A | 0.0000 | |
| 187 | P | A | -0.8629 | |
| 188 | I | A | 0.0000 | |
| 189 | G | A | 0.0000 | |
| 190 | I | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | G | A | 0.0000 | |
| 193 | Y | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | A | A | 0.0000 | |
| 198 | Q | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | W | A | 0.0000 | |
| 203 | I | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | L | A | 0.0000 | |
| 207 | H | A | 0.0000 | |
| 208 | D | A | -2.8299 | |
| 209 | E | A | -2.6139 | |
| 210 | Y | A | -1.2951 | |
| 211 | A | A | 0.0000 | |
| 212 | P | A | -1.7031 | |
| 213 | D | A | -1.5369 | |
| 214 | L | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | F | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | G | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | V | A | 0.0000 | |
| 221 | S | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | G | A | 0.0000 | |
| 224 | T | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | V | A | 0.0000 | |
| 227 | D | A | 0.0000 | |
| 228 | A | A | 0.0000 | |
| 229 | W | A | -0.0677 | |
| 230 | G | A | -0.1531 | |
| 231 | T | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | Q | A | -0.1868 | |
| 234 | Y | A | 0.0939 | |
| 235 | I | A | 0.0000 | |
| 236 | D | A | -0.1855 | |
| 237 | Y | A | 0.3162 | |
| 238 | P | A | -0.7988 | |
| 239 | K | A | -1.4746 | |
| 240 | V | A | 0.0364 | |
| 241 | Y | A | 0.6849 | |
| 242 | L | A | 0.5593 | |
| 243 | K | A | 0.0000 | |
| 244 | G | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | L | A | 0.0000 | |
| 248 | I | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | Y | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | G | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | F | A | 0.0000 | |
| 255 | S | A | 0.0000 | |
| 256 | G | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | P | A | -0.5942 | |
| 259 | A | A | -0.6119 | |
| 260 | Q | A | -0.2722 | |
| 261 | F | A | 0.0000 | |
| 262 | E | A | -1.1937 | |
| 263 | V | A | 0.4758 | |
| 264 | I | A | 0.0000 | |
| 265 | W | A | -0.1853 | |
| 266 | P | A | -0.1399 | |
| 267 | Y | A | 0.2858 | |
| 268 | I | A | 0.0000 | |
| 269 | E | A | -0.5722 | |
| 270 | P | A | -0.2656 | |
| 271 | V | A | 0.6927 | |
| 272 | I | A | 0.0000 | |
| 273 | Q | A | -0.5188 | |
| 274 | E | A | -1.1321 | |
| 275 | N | A | -0.2431 | |
| 276 | M | A | 0.0000 | |
| 277 | L | A | 0.4058 | |
| 278 | L | A | 0.5940 | |
| 279 | L | A | 0.0000 | |
| 280 | R | A | 0.0000 | |
| 281 | T | A | 0.4857 | mutated: LT281A |
| 282 | A | A | 0.0926 | |
| 283 | P | A | -0.6610 | |
| 284 | N | A | -1.1449 | |
| 285 | D | A | -1.0782 | |
| 286 | C | A | 0.0000 | |
| 287 | N | A | 0.0000 | |
| 288 | Q | A | -1.2830 | |
| 289 | S | A | -0.9971 | |
| 290 | P | A | 0.0000 | |
| 291 | I | A | -0.1887 | |
| 292 | T | A | -0.6101 | mutated: LT292A |
| 293 | Q | A | -1.3661 | |
| 294 | G | A | -0.9225 | |
| 295 | Y | A | -0.9647 | |
| 296 | N | A | -2.1021 | |
| 297 | N | A | -2.0019 | |
| 298 | S | A | -0.8466 | |
| 299 | I | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | A | A | -0.6886 | |
| 302 | G | A | -0.3634 | |
| 303 | I | A | 0.0000 | |
| 304 | H | A | -1.1512 | |
| 305 | V | A | -1.2129 | |
| 306 | D | A | -2.5050 | |
| 307 | L | A | 0.0000 | |
| 308 | P | A | -1.5359 | |
| 309 | E | A | -2.4096 | |
| 310 | F | A | -1.1487 | |
| 311 | P | A | -0.6437 | |
| 312 | A | A | 0.0000 | |
| 313 | S | A | 0.0000 | |
| 314 | K | A | -1.1391 | |
| 315 | Y | A | 0.1737 | |
| 316 | I | A | 0.0000 | |
| 317 | F | A | 0.0000 | |
| 318 | Q | A | -0.3133 | |
| 319 | H | A | -0.1366 | |
| 320 | E | A | 0.0000 | |
| 321 | S | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | A | A | -0.5431 | |
| 325 | N | A | -1.1995 | |
| 326 | Y | A | -0.3439 | |
| 327 | S | A | -0.2337 | |
| 328 | S | A | -0.1637 | mutated: VS328A |
| 329 | V | A | 0.0720 | |
| 330 | P | A | -0.1389 | |
| 331 | V | A | 0.0776 | |
| 332 | S | A | -0.6523 | |
| 333 | T | A | -0.8551 | |
| 334 | P | A | 0.0000 | |
| 335 | K | A | -1.8787 | |
| 336 | F | A | 0.0000 | |
| 337 | P | A | -0.7478 | |
| 338 | R | A | 0.0000 | |
| 339 | Y | A | 0.0000 | |
| 340 | M | A | 0.0000 | |
| 341 | Y | A | 0.0000 | |
| 342 | H | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | G | A | -0.0354 | |
| 345 | S | A | -0.1883 | |
| 346 | D | A | 0.0000 | |
| 347 | E | A | -0.2693 | |
| 348 | L | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | K | A | -0.6417 | |
| 351 | L | A | -0.3908 | |
| 352 | S | A | -0.6671 | |
| 353 | L | A | -0.6034 | |
| 354 | V | A | 0.0000 | |
| 355 | E | A | -1.6367 | |
| 356 | Q | A | -1.5371 | |
| 357 | Y | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | D | A | -1.9793 | |
| 360 | Q | A | -1.5119 | |
| 361 | Q | A | 0.0000 | |
| 362 | W | A | -0.8548 | |
| 363 | N | A | -1.5045 | |
| 364 | T | A | -1.1398 | |
| 365 | G | A | -1.2865 | |
| 366 | A | A | -1.3713 | |
| 367 | N | A | -1.6191 | |
| 368 | L | A | 0.0000 | |
| 369 | T | A | 0.0255 | |
| 370 | F | A | 0.3671 | |
| 371 | V | A | 0.9691 | |
| 372 | V | A | 0.7980 | |
| 373 | Y | A | 0.1685 | |
| 374 | P | A | -0.0717 | |
| 375 | G | A | -0.3814 | |
| 376 | L | A | -0.4595 | |
| 377 | L | A | -0.2241 | |
| 378 | H | A | 0.0000 | |
| 379 | D | A | -1.8969 | |
| 380 | E | A | -1.4478 | |
| 381 | T | A | 0.0000 | |
| 382 | A | A | -0.7018 | |
| 383 | Y | A | -0.3115 | |
| 384 | R | A | -1.6225 | |
| 385 | G | A | 0.0000 | |
| 386 | F | A | -0.7609 | |
| 387 | D | A | -2.1538 | |
| 388 | A | A | -1.5546 | |
| 389 | A | A | 0.0000 | |
| 390 | M | A | 0.0000 | |
| 391 | D | A | -2.1947 | |
| 392 | W | A | -0.9627 | |
| 393 | L | A | 0.0000 | |
| 394 | D | A | -1.4554 | |
| 395 | A | A | -1.1846 | |
| 396 | Q | A | -0.9983 | |
| 397 | L | A | 0.0000 | |
| 398 | D | A | -2.1080 | |
| 399 | S | A | -0.9252 | |
| 400 | G | A | -0.5088 | |
| 401 | Y | A | 0.3764 | |
| 402 | L | A | 1.5519 | |
| 403 | P | A | 0.6203 | |
| 404 | P | A | 0.4277 | |
| 405 | V | A | 1.1754 | |
| 406 | N | A | -0.7613 | |
| 407 | S | A | -0.6238 | |
| 408 | T | A | -0.7700 | |
| 409 | H | A | -1.2966 | |
| 410 | T | A | -0.5996 |
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