| Chain sequence(s) |
A: MAAPAAEAPLSAVKVVLEELEKKEKILVVQTAPSVRVAIGEEFGYAPGTISTGQMVAALRRLGFDYVFDTNFGADLTIMEEGSEFLERLEKGDLEDLPMFTSCCPGWVNLVEKVYPELRTRLSSAKSPQGMLSAMVKTYFAKKLGVEPEDIFHVSIMPCTAKKDEIKRPQQKIKLEDGREIQTTDVVLTTRELGKLIRMKKIPFANLPEEEYDAPLGISTGAAALFGVTGGVMEAALRTAYELKTGKALPKIVFEEVRGLKGVREAEIDLDGKKIRIAVVHGTANVRNLVEKILRREVKYHFVEVMACPGGCIGGGGQPYSRDPEILRKRAEAIYTIDERMTLRKSHENPAIKKLYEEYLEHPLSHKAHELLHTYYEDRSRKKRLAVKSAWSHPQFEK
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | IS50A,YR320A,YT375A,IT218A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.94485 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] (00:00:07)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:07)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:07)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:07)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:07)
[INFO] FoldX: Building mutant model (00:05:07)
[INFO] FoldX: Starting FoldX energy minimalization (00:06:11)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:46)
[INFO] Main: Simulation completed successfully. (00:10:50)
|
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 | 1.0614 | |
| 2 | A | A | 0.5439 | |
| 3 | A | A | 0.2576 | |
| 4 | P | A | -0.3001 | |
| 5 | A | A | -0.4969 | |
| 6 | A | A | -0.8768 | |
| 7 | E | A | -1.6149 | |
| 8 | A | A | -0.5590 | |
| 9 | P | A | 0.0515 | |
| 10 | L | A | 0.9476 | |
| 11 | S | A | 0.3072 | |
| 12 | A | A | 0.0316 | |
| 13 | V | A | 0.0000 | |
| 14 | K | A | -0.6734 | |
| 15 | V | A | -0.2406 | |
| 16 | V | A | 0.0000 | |
| 17 | L | A | -1.5907 | |
| 18 | E | A | -2.9400 | |
| 19 | E | A | -3.1590 | |
| 20 | L | A | 0.0000 | |
| 21 | E | A | -4.0216 | |
| 22 | K | A | -4.6140 | |
| 23 | K | A | -4.6524 | |
| 24 | E | A | -4.0250 | |
| 25 | K | A | -3.2732 | |
| 26 | I | A | -1.6276 | |
| 27 | L | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | V | A | 0.0000 | |
| 30 | Q | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | P | A | 0.0000 | |
| 34 | S | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | R | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | A | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | G | A | 0.0000 | |
| 41 | E | A | -0.6551 | |
| 42 | E | A | -0.9294 | |
| 43 | F | A | -0.1289 | |
| 44 | G | A | -0.2987 | |
| 45 | Y | A | 0.0217 | |
| 46 | A | A | -0.0937 | |
| 47 | P | A | -0.6497 | |
| 48 | G | A | -0.8309 | |
| 49 | T | A | -0.3896 | |
| 50 | S | A | -0.2429 | mutated: IS50A |
| 51 | S | A | 0.0000 | |
| 52 | T | A | -0.9386 | |
| 53 | G | A | 0.0000 | |
| 54 | Q | A | -1.6855 | |
| 55 | M | A | 0.0000 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | A | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | R | A | -1.6417 | |
| 61 | R | A | -1.7343 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | -1.7625 | |
| 64 | F | A | 0.0000 | |
| 65 | D | A | -2.0914 | |
| 66 | Y | A | -0.6432 | |
| 67 | V | A | 0.0000 | |
| 68 | F | A | 0.0000 | |
| 69 | D | A | 0.0000 | |
| 70 | T | A | 0.0000 | |
| 71 | N | A | 0.0000 | |
| 72 | F | A | 0.0000 | |
| 73 | G | A | 0.0000 | |
| 74 | A | A | 0.0000 | |
| 75 | D | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | T | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | M | A | 0.0000 | |
| 80 | E | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | G | A | 0.0000 | |
| 83 | S | A | -0.3083 | |
| 84 | E | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | E | A | -2.4567 | |
| 88 | R | A | -2.4776 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -3.3068 | |
| 91 | K | A | -3.4812 | |
| 92 | G | A | -2.9165 | |
| 93 | D | A | -2.7415 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -3.3883 | |
| 96 | D | A | -3.1779 | |
| 97 | L | A | -1.7712 | |
| 98 | P | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | S | A | 0.0000 | |
| 103 | C | A | 0.0852 | |
| 104 | C | A | 0.1030 | |
| 105 | P | A | 0.0000 | |
| 106 | G | A | -0.1816 | |
| 107 | W | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | N | A | -0.5413 | |
| 110 | L | A | -0.0670 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | 0.0000 | |
| 113 | K | A | -1.6169 | |
| 114 | V | A | -0.3549 | |
| 115 | Y | A | 0.0000 | |
| 116 | P | A | -1.6175 | |
| 117 | E | A | -1.9550 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | -1.5624 | |
| 120 | T | A | -0.9678 | |
| 121 | R | A | -0.7883 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | S | A | -0.2268 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | P | A | -0.0089 | |
| 129 | Q | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | M | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | Y | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | K | A | -2.5981 | |
| 143 | K | A | -2.2576 | |
| 144 | L | A | -1.0311 | |
| 145 | G | A | -1.3893 | |
| 146 | V | A | -1.4451 | |
| 147 | E | A | -2.3361 | |
| 148 | P | A | -2.0899 | |
| 149 | E | A | -2.8877 | |
| 150 | D | A | -2.8042 | |
| 151 | I | A | 0.0000 | |
| 152 | F | A | 0.0000 | |
| 153 | H | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | S | A | 0.0000 | |
| 156 | I | A | 0.0000 | |
| 157 | M | A | 0.0000 | |
| 158 | P | A | 0.0000 | |
| 159 | C | A | -0.0752 | |
| 160 | T | A | -0.3599 | |
| 161 | A | A | -0.4548 | |
| 162 | K | A | 0.0000 | |
| 163 | K | A | -1.1293 | |
| 164 | D | A | -1.5717 | |
| 165 | E | A | 0.0000 | |
| 166 | I | A | -1.4876 | |
| 167 | K | A | -2.4587 | |
| 168 | R | A | -1.6235 | |
| 169 | P | A | -1.4325 | |
| 170 | Q | A | -1.1310 | |
| 171 | Q | A | -1.3555 | |
| 172 | K | A | -2.4119 | |
| 173 | I | A | 0.0000 | |
| 174 | K | A | -3.9362 | |
| 175 | L | A | -3.1753 | |
| 176 | E | A | -3.3762 | |
| 177 | D | A | -3.4095 | |
| 178 | G | A | -2.8478 | |
| 179 | R | A | -3.0342 | |
| 180 | E | A | -3.6369 | |
| 181 | I | A | 0.0000 | |
| 182 | Q | A | -2.2995 | |
| 183 | T | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | D | A | -0.9512 | |
| 186 | V | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | R | A | -1.1006 | |
| 192 | E | A | -0.9139 | |
| 193 | L | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | K | A | -1.6342 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | R | A | -2.0207 | |
| 199 | M | A | -1.1654 | |
| 200 | K | A | -2.0366 | |
| 201 | K | A | -2.4240 | |
| 202 | I | A | -1.5870 | |
| 203 | P | A | -1.2207 | |
| 204 | F | A | 0.0000 | |
| 205 | A | A | -0.5976 | |
| 206 | N | A | -1.5701 | |
| 207 | L | A | 0.0000 | |
| 208 | P | A | -1.7321 | |
| 209 | E | A | -3.0840 | |
| 210 | E | A | -3.1058 | |
| 211 | E | A | -2.8239 | |
| 212 | Y | A | -1.1349 | |
| 213 | D | A | -0.9425 | |
| 214 | A | A | -0.3167 | |
| 215 | P | A | -0.2736 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | -0.3970 | |
| 218 | T | A | -0.2809 | mutated: IT218A |
| 219 | S | A | -0.1898 | |
| 220 | T | A | 0.0000 | |
| 221 | G | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | A | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | F | A | 0.0000 | |
| 227 | G | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | G | A | 0.0000 | |
| 231 | G | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | M | A | 0.0000 | |
| 234 | E | A | 0.0000 | |
| 235 | A | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | R | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | Y | A | -0.6865 | |
| 242 | E | A | -0.6684 | |
| 243 | L | A | -0.0200 | |
| 244 | K | A | -1.1007 | |
| 245 | T | A | -1.3778 | |
| 246 | G | A | -1.2621 | |
| 247 | K | A | -2.1012 | |
| 248 | A | A | -0.9450 | |
| 249 | L | A | -0.7630 | |
| 250 | P | A | -1.0321 | |
| 251 | K | A | -1.5443 | |
| 252 | I | A | -0.3373 | |
| 253 | V | A | -0.7517 | |
| 254 | F | A | 0.0000 | |
| 255 | E | A | -2.7409 | |
| 256 | E | A | -3.1446 | |
| 257 | V | A | 0.0000 | |
| 258 | R | A | -1.5210 | |
| 259 | G | A | -1.4204 | |
| 260 | L | A | -0.5960 | |
| 261 | K | A | -1.4737 | |
| 262 | G | A | -0.8102 | |
| 263 | V | A | -0.8271 | |
| 264 | R | A | 0.0000 | |
| 265 | E | A | -2.5378 | |
| 266 | A | A | -2.5897 | |
| 267 | E | A | -3.1371 | |
| 268 | I | A | -2.4074 | |
| 269 | D | A | -3.1988 | |
| 270 | L | A | 0.0000 | |
| 271 | D | A | -3.2492 | |
| 272 | G | A | -2.6900 | |
| 273 | K | A | -3.4063 | |
| 274 | K | A | -3.6793 | |
| 275 | I | A | 0.0000 | |
| 276 | R | A | -2.7371 | |
| 277 | I | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | H | A | 0.0000 | |
| 282 | G | A | -0.3284 | |
| 283 | T | A | -0.5593 | |
| 284 | A | A | -0.7808 | |
| 285 | N | A | -1.2275 | |
| 286 | V | A | 0.0000 | |
| 287 | R | A | -1.5900 | |
| 288 | N | A | -2.1429 | |
| 289 | L | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | E | A | -2.4484 | |
| 292 | K | A | -3.0473 | |
| 293 | I | A | 0.0000 | |
| 294 | L | A | -2.1470 | |
| 295 | R | A | -3.3026 | |
| 296 | R | A | -3.5111 | |
| 297 | E | A | -3.4023 | |
| 298 | V | A | -2.3523 | |
| 299 | K | A | -3.1999 | |
| 300 | Y | A | 0.0000 | |
| 301 | H | A | -1.8649 | |
| 302 | F | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | E | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | M | A | 0.0000 | |
| 307 | A | A | -0.1347 | |
| 308 | C | A | -0.0111 | |
| 309 | P | A | -0.3183 | |
| 310 | G | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | C | A | 0.1277 | |
| 313 | I | A | 0.0000 | |
| 314 | G | A | -0.3721 | |
| 315 | G | A | 0.0000 | |
| 316 | G | A | -0.5560 | |
| 317 | G | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | R | A | -2.4679 | mutated: YR320A |
| 321 | S | A | -2.1234 | |
| 322 | R | A | -2.6607 | |
| 323 | D | A | -2.0577 | |
| 324 | P | A | -1.6103 | |
| 325 | E | A | -1.9788 | |
| 326 | I | A | -1.5811 | |
| 327 | L | A | -1.1249 | |
| 328 | R | A | -2.2102 | |
| 329 | K | A | -2.0574 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.1185 | |
| 333 | A | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | Y | A | -1.1445 | |
| 336 | T | A | -1.5603 | |
| 337 | I | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | E | A | -2.5907 | |
| 340 | R | A | -2.6184 | |
| 341 | M | A | -1.2554 | |
| 342 | T | A | -0.6199 | |
| 343 | L | A | -0.6186 | |
| 344 | R | A | -0.8946 | |
| 345 | K | A | -0.6700 | |
| 346 | S | A | 0.0000 | |
| 347 | H | A | 0.0000 | |
| 348 | E | A | -1.9256 | |
| 349 | N | A | 0.0000 | |
| 350 | P | A | -1.3531 | |
| 351 | A | A | -1.3627 | |
| 352 | I | A | 0.0000 | |
| 353 | K | A | -3.3080 | |
| 354 | K | A | -3.3632 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -4.1846 | |
| 358 | E | A | -3.6252 | |
| 359 | Y | A | -2.1737 | |
| 360 | L | A | 0.0000 | |
| 361 | E | A | -3.6724 | |
| 362 | H | A | -2.4856 | |
| 363 | P | A | -0.9760 | |
| 364 | L | A | -1.0890 | |
| 365 | S | A | 0.0000 | |
| 366 | H | A | -2.4105 | |
| 367 | K | A | -2.6483 | |
| 368 | A | A | 0.0000 | |
| 369 | H | A | -2.0408 | |
| 370 | E | A | -2.9434 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | T | A | -0.6318 | |
| 375 | T | A | -0.4995 | mutated: YT375A |
| 376 | Y | A | -1.0091 | |
| 377 | E | A | -1.9445 | |
| 378 | D | A | -2.5333 | |
| 379 | R | A | -2.4259 | |
| 380 | S | A | 0.0000 | |
| 381 | R | A | -3.1956 | |
| 382 | K | A | -3.0103 | |
| 383 | K | A | -2.7685 | |
| 384 | R | A | -2.6661 | |
| 385 | L | A | -1.3239 | |
| 386 | A | A | -1.0443 | |
| 387 | V | A | -0.6344 | |
| 388 | K | A | -1.3972 | |
| 389 | S | A | -0.7616 | |
| 390 | A | A | -0.0305 | |
| 391 | W | A | 0.2737 | |
| 392 | S | A | -0.7131 | |
| 393 | H | A | -1.2806 | |
| 394 | P | A | -1.4562 | |
| 395 | Q | A | -1.5156 | |
| 396 | F | A | -0.1589 | |
| 397 | E | A | -2.2214 | |
| 398 | K | A | -2.3084 |
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