| 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 | YT375A,LK10A,VK387A,AS390A,ID50A,YE320A,AA2A,IT326A,LT327A,IT252A,IT218A,AS351A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 7.58222 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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] FoldX: Building mutant model (00:13:20)
[INFO] FoldX: Starting FoldX energy minimalization (00:17:10)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:25:45)
[INFO] Main: Simulation completed successfully. (00:25:51)
|
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 | 1.0619 | |
| 2 | A | A | 0.5430 | mutated: AA2A |
| 3 | A | A | 0.2534 | |
| 4 | P | A | -0.2981 | |
| 5 | A | A | -0.4941 | |
| 6 | A | A | -0.8751 | |
| 7 | E | A | -2.1123 | |
| 8 | A | A | -1.3866 | |
| 9 | P | A | -1.6343 | |
| 10 | K | A | -2.3716 | mutated: LK10A |
| 11 | S | A | -1.3706 | |
| 12 | A | A | -0.8466 | |
| 13 | V | A | 0.0000 | |
| 14 | K | A | -1.6609 | |
| 15 | V | A | -0.9744 | |
| 16 | V | A | 0.0000 | |
| 17 | L | A | -1.3957 | |
| 18 | E | A | -2.4084 | |
| 19 | E | A | -2.8775 | |
| 20 | L | A | 0.0000 | |
| 21 | E | A | -3.8056 | |
| 22 | K | A | -4.4615 | |
| 23 | K | A | -4.5810 | |
| 24 | E | A | -4.0660 | |
| 25 | K | A | -3.2214 | |
| 26 | I | A | -1.5673 | |
| 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 | -0.6573 | |
| 42 | E | A | -0.9684 | |
| 43 | F | A | -0.1278 | |
| 44 | G | A | -0.2785 | |
| 45 | Y | A | -0.1097 | |
| 46 | A | A | -0.2518 | |
| 47 | P | A | -0.9238 | |
| 48 | G | A | -1.2453 | |
| 49 | T | A | -1.1135 | |
| 50 | D | A | -1.8116 | mutated: ID50A |
| 51 | S | A | 0.0000 | |
| 52 | T | A | -1.2407 | |
| 53 | G | A | 0.0000 | |
| 54 | Q | A | -1.6810 | |
| 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 | -1.6573 | |
| 61 | R | A | -2.0502 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | -1.8142 | |
| 64 | F | A | 0.0000 | |
| 65 | D | A | -2.1808 | |
| 66 | Y | A | -0.6568 | |
| 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 | -0.2504 | |
| 84 | E | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | L | A | -1.2605 | |
| 87 | E | A | -2.4281 | |
| 88 | R | A | -2.6498 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -3.3621 | |
| 91 | K | A | -3.6565 | |
| 92 | G | A | -3.1888 | |
| 93 | D | A | -3.3761 | |
| 94 | L | A | 0.0000 | |
| 95 | E | A | -3.4259 | |
| 96 | D | A | -3.1404 | |
| 97 | L | A | -1.8121 | |
| 98 | P | A | 0.0000 | |
| 99 | M | A | 0.0000 | |
| 100 | F | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | S | A | -0.0448 | |
| 103 | C | A | 0.0718 | |
| 104 | C | A | 0.0917 | |
| 105 | P | A | 0.0000 | |
| 106 | G | A | -0.1993 | |
| 107 | W | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | N | A | -0.8572 | |
| 110 | L | A | -0.2881 | |
| 111 | V | A | 0.0000 | |
| 112 | E | A | 0.0000 | |
| 113 | K | A | -2.1055 | |
| 114 | V | A | -0.5672 | |
| 115 | Y | A | 0.0000 | |
| 116 | P | A | -2.1462 | |
| 117 | E | A | -2.1261 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | -1.7520 | |
| 120 | T | A | -0.8908 | |
| 121 | R | A | -0.8031 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | S | A | -0.2116 | |
| 125 | A | A | 0.0000 | |
| 126 | K | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | P | A | -0.0090 | |
| 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 | -2.6420 | |
| 143 | K | A | -2.3150 | |
| 144 | L | A | -1.0660 | |
| 145 | G | A | -1.4213 | |
| 146 | V | A | -1.3492 | |
| 147 | E | A | -2.1266 | |
| 148 | P | A | -1.6479 | |
| 149 | E | A | -1.9584 | |
| 150 | D | A | -2.4122 | |
| 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 | -0.2158 | |
| 160 | T | A | -0.4070 | |
| 161 | A | A | -0.5186 | |
| 162 | K | A | 0.0000 | |
| 163 | K | A | -1.1745 | |
| 164 | D | A | -1.6807 | |
| 165 | E | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -2.4848 | |
| 168 | R | A | -1.6212 | |
| 169 | P | A | -1.3527 | |
| 170 | Q | A | -1.0178 | |
| 171 | Q | A | 0.0000 | |
| 172 | K | A | -2.3995 | |
| 173 | I | A | 0.0000 | |
| 174 | K | A | -3.9224 | |
| 175 | L | A | -3.2054 | |
| 176 | E | A | -3.3992 | |
| 177 | D | A | -3.4515 | |
| 178 | G | A | -2.9203 | |
| 179 | R | A | -3.1680 | |
| 180 | E | A | -3.6295 | |
| 181 | I | A | 0.0000 | |
| 182 | Q | A | -1.8880 | |
| 183 | T | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | D | A | -0.9556 | |
| 186 | V | A | -0.3570 | |
| 187 | V | A | 0.0000 | |
| 188 | L | A | 0.0000 | |
| 189 | T | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | R | A | -1.2744 | |
| 192 | E | A | -1.0422 | |
| 193 | L | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | K | A | -1.7219 | |
| 196 | L | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | R | A | -2.0234 | |
| 199 | M | A | -1.0581 | |
| 200 | K | A | -1.9598 | |
| 201 | K | A | -2.3702 | |
| 202 | I | A | -1.6226 | |
| 203 | P | A | -1.3629 | |
| 204 | F | A | 0.0000 | |
| 205 | A | A | -0.5948 | |
| 206 | N | A | -1.5754 | |
| 207 | L | A | 0.0000 | |
| 208 | P | A | -1.5273 | |
| 209 | E | A | -2.6756 | |
| 210 | E | A | -2.2189 | |
| 211 | E | A | -2.3871 | |
| 212 | Y | A | -0.9138 | |
| 213 | D | A | -0.8478 | |
| 214 | A | A | -0.3077 | |
| 215 | P | A | -0.2643 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | -0.3926 | |
| 218 | T | A | -0.3072 | mutated: IT218A |
| 219 | S | A | -0.2579 | |
| 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 | -0.7768 | |
| 242 | E | A | -0.7861 | |
| 243 | L | A | -0.1174 | |
| 244 | K | A | -1.0502 | |
| 245 | T | A | -1.4078 | |
| 246 | G | A | -1.3014 | |
| 247 | K | A | -2.1494 | |
| 248 | A | A | -1.0573 | |
| 249 | L | A | -0.9423 | |
| 250 | P | A | -1.1633 | |
| 251 | K | A | -1.7664 | |
| 252 | T | A | -0.8316 | mutated: IT252A |
| 253 | V | A | -0.7652 | |
| 254 | F | A | 0.0000 | |
| 255 | E | A | -2.4711 | |
| 256 | E | A | -2.5864 | |
| 257 | V | A | 0.0000 | |
| 258 | R | A | -1.2930 | |
| 259 | G | A | -1.3161 | |
| 260 | L | A | -0.6023 | |
| 261 | K | A | -1.4710 | |
| 262 | G | A | -0.8054 | |
| 263 | V | A | -0.8182 | |
| 264 | R | A | 0.0000 | |
| 265 | E | A | -2.5062 | |
| 266 | A | A | -2.6085 | |
| 267 | E | A | -3.3587 | |
| 268 | I | A | -2.5259 | |
| 269 | D | A | -3.2901 | |
| 270 | L | A | 0.0000 | |
| 271 | D | A | -3.2247 | |
| 272 | G | A | -2.6328 | |
| 273 | K | A | -3.3241 | |
| 274 | K | A | -3.7411 | |
| 275 | I | A | 0.0000 | |
| 276 | R | A | -2.9518 | |
| 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 | -0.3339 | |
| 283 | T | A | -0.5680 | |
| 284 | A | A | -0.7842 | |
| 285 | N | A | -1.1919 | |
| 286 | V | A | 0.0000 | |
| 287 | R | A | -1.5660 | |
| 288 | N | A | -2.0727 | |
| 289 | L | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | E | A | -2.3691 | |
| 292 | K | A | -3.0782 | |
| 293 | I | A | 0.0000 | |
| 294 | L | A | -2.2919 | |
| 295 | R | A | -3.6033 | |
| 296 | R | A | -4.1601 | |
| 297 | E | A | -3.6676 | |
| 298 | V | A | -2.4094 | |
| 299 | K | A | -2.9963 | |
| 300 | Y | A | 0.0000 | |
| 301 | H | A | -1.9295 | |
| 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 | -0.1422 | |
| 308 | C | A | -0.0539 | |
| 309 | P | A | -0.4265 | |
| 310 | G | A | 0.0000 | |
| 311 | G | A | 0.0000 | |
| 312 | C | A | 0.0677 | |
| 313 | I | A | 0.0000 | |
| 314 | G | A | -0.5129 | |
| 315 | G | A | 0.0000 | |
| 316 | G | A | -0.7465 | |
| 317 | G | A | 0.0000 | |
| 318 | Q | A | 0.0000 | |
| 319 | P | A | 0.0000 | |
| 320 | E | A | -2.5393 | mutated: YE320A |
| 321 | S | A | -2.2828 | |
| 322 | R | A | -2.8032 | |
| 323 | D | A | -2.3768 | |
| 324 | P | A | -1.8400 | |
| 325 | E | A | -2.2758 | |
| 326 | T | A | 0.0000 | mutated: IT326A |
| 327 | T | A | -1.4425 | mutated: LT327A |
| 328 | R | A | -2.1995 | |
| 329 | K | A | -2.0300 | |
| 330 | R | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | E | A | -2.0301 | |
| 333 | A | A | -1.6629 | |
| 334 | I | A | 0.0000 | |
| 335 | Y | A | -1.1006 | |
| 336 | T | A | -1.7345 | |
| 337 | I | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | E | A | -2.5833 | |
| 340 | R | A | -2.6294 | |
| 341 | M | A | -1.2837 | |
| 342 | T | A | -0.6610 | |
| 343 | L | A | -0.7774 | |
| 344 | R | A | -1.1618 | |
| 345 | K | A | -0.9595 | |
| 346 | S | A | 0.0000 | |
| 347 | H | A | -1.3931 | |
| 348 | E | A | -2.3514 | |
| 349 | N | A | 0.0000 | |
| 350 | P | A | -1.6715 | |
| 351 | S | A | -1.5614 | mutated: AS351A |
| 352 | I | A | 0.0000 | |
| 353 | K | A | -3.7845 | |
| 354 | K | A | -3.4567 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -4.2605 | |
| 358 | E | A | -3.6705 | |
| 359 | Y | A | -2.1960 | |
| 360 | L | A | 0.0000 | |
| 361 | E | A | -3.7082 | |
| 362 | H | A | -2.5349 | |
| 363 | P | A | -0.9662 | |
| 364 | L | A | -1.0835 | |
| 365 | S | A | 0.0000 | |
| 366 | H | A | -2.3780 | |
| 367 | K | A | -2.5783 | |
| 368 | A | A | 0.0000 | |
| 369 | H | A | -2.0390 | |
| 370 | E | A | -3.0070 | |
| 371 | L | A | 0.0000 | |
| 372 | L | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | T | A | -0.6023 | |
| 375 | T | A | -0.4404 | mutated: YT375A |
| 376 | Y | A | -1.2473 | |
| 377 | E | A | -2.6895 | |
| 378 | D | A | -3.8467 | |
| 379 | R | A | -3.2277 | |
| 380 | S | A | -3.4293 | |
| 381 | R | A | -4.2254 | |
| 382 | K | A | -4.0251 | |
| 383 | K | A | -3.6314 | |
| 384 | R | A | -3.2139 | |
| 385 | L | A | -0.9304 | |
| 386 | A | A | -1.3480 | |
| 387 | K | A | -2.5336 | mutated: VK387A |
| 388 | K | A | -2.3685 | |
| 389 | S | A | -1.3564 | |
| 390 | S | A | -0.7401 | mutated: AS390A |
| 391 | W | A | 0.6265 | |
| 392 | S | A | -0.4972 | |
| 393 | H | A | -0.9591 | |
| 394 | P | A | -0.9972 | |
| 395 | Q | A | -0.9829 | |
| 396 | F | A | 0.1121 | |
| 397 | E | A | -2.1385 | |
| 398 | K | A | -2.2246 |
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