| Chain sequence(s) |
A: AITFLKEQKPLPDDKLQLSVTATTDITQEQAVIMSNLLKATTPPSLEVQGFPVDGEWLVDKANKTLSLKLSVVVPATLPTAEQQELLAALQTIAQQRIEAALKSLDILSSIKADHVSTYAAFVQTHRPTGEFMFEFDEDEMFYVDLDKKETVWHLEEFGQAFSFEAQGGLANIAILNNNLNTLIQRSNHTQATNDPPEVTVFPKEPVELGQPNTLICHIDKFFPPVLNVTWLCNGELVTEGVAESLFLPRTDYSFHKFHYLTFVPSAEDFYDCRVEHWGLDQPLLKHWEAQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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] Analysis: Starting Aggrescan3D on folded.pdb (00:05:11)
[INFO] Main: Simulation completed successfully. (00:05:14)
|
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 | A | A | -0.2040 | |
| 2 | I | A | -0.0516 | |
| 3 | T | A | 0.4325 | |
| 4 | F | A | 0.7341 | |
| 5 | L | A | 0.5526 | |
| 6 | K | A | -1.7347 | |
| 7 | E | A | -3.1284 | |
| 8 | Q | A | -3.0853 | |
| 9 | K | A | -2.7258 | |
| 10 | P | A | -1.9165 | |
| 11 | L | A | -1.5572 | |
| 12 | P | A | -1.8064 | |
| 13 | D | A | -3.0411 | |
| 14 | D | A | -3.2066 | |
| 15 | K | A | -2.5578 | |
| 16 | L | A | -1.7038 | |
| 17 | Q | A | -1.4264 | |
| 18 | L | A | 0.0000 | |
| 19 | S | A | -1.7220 | |
| 20 | V | A | 0.0000 | |
| 21 | T | A | -0.5411 | |
| 22 | A | A | 0.0000 | |
| 23 | T | A | 0.0354 | |
| 24 | T | A | 0.0000 | |
| 25 | D | A | -2.3316 | |
| 26 | I | A | 0.0000 | |
| 27 | T | A | -2.1375 | |
| 28 | Q | A | -2.5670 | |
| 29 | E | A | -2.7902 | |
| 30 | Q | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | V | A | -1.1467 | |
| 33 | I | A | 0.0000 | |
| 34 | M | A | 0.0000 | |
| 35 | S | A | -0.4884 | |
| 36 | N | A | -0.4257 | |
| 37 | L | A | 0.0000 | |
| 38 | L | A | -0.4220 | |
| 39 | K | A | -1.6189 | |
| 40 | A | A | -0.8505 | |
| 41 | T | A | 0.0000 | |
| 42 | T | A | -0.8469 | |
| 43 | P | A | -0.9862 | |
| 44 | P | A | -0.9058 | |
| 45 | S | A | -0.9048 | |
| 46 | L | A | -1.2061 | |
| 47 | E | A | -2.3981 | |
| 48 | V | A | 0.0000 | |
| 49 | Q | A | -1.9828 | |
| 50 | G | A | -1.4630 | |
| 51 | F | A | -0.9682 | |
| 52 | P | A | -1.3827 | |
| 53 | V | A | 0.0000 | |
| 54 | D | A | -2.5184 | |
| 55 | G | A | -2.0869 | |
| 56 | E | A | -2.2253 | |
| 57 | W | A | -0.4702 | |
| 58 | L | A | 0.2037 | |
| 59 | V | A | -0.3441 | |
| 60 | D | A | -1.8266 | |
| 61 | K | A | -2.3493 | |
| 62 | A | A | -1.6848 | |
| 63 | N | A | -2.6391 | |
| 64 | K | A | -3.1216 | |
| 65 | T | A | -2.0107 | |
| 66 | L | A | 0.0000 | |
| 67 | S | A | -0.3361 | |
| 68 | L | A | 0.0000 | |
| 69 | K | A | -1.4076 | |
| 70 | L | A | 0.0000 | |
| 71 | S | A | -1.4791 | |
| 72 | V | A | 0.0000 | |
| 73 | V | A | -0.1649 | |
| 74 | V | A | 0.0000 | |
| 75 | P | A | -1.1508 | |
| 76 | A | A | -1.4238 | |
| 77 | T | A | -0.5990 | |
| 78 | L | A | -0.3997 | |
| 79 | P | A | -0.9087 | |
| 80 | T | A | -1.0223 | |
| 81 | A | A | -1.3828 | |
| 82 | E | A | -2.1335 | |
| 83 | Q | A | 0.0000 | |
| 84 | Q | A | -2.3577 | |
| 85 | E | A | -2.9075 | |
| 86 | L | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | A | A | -1.2499 | |
| 89 | A | A | -1.0598 | |
| 90 | L | A | 0.0000 | |
| 91 | Q | A | -0.6944 | |
| 92 | T | A | -0.4742 | |
| 93 | I | A | -0.6155 | |
| 94 | A | A | 0.0000 | |
| 95 | Q | A | -1.1944 | |
| 96 | Q | A | -1.5225 | |
| 97 | R | A | -1.4481 | |
| 98 | I | A | 0.0000 | |
| 99 | E | A | -1.9612 | |
| 100 | A | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | L | A | -1.5819 | |
| 103 | K | A | -2.3072 | |
| 104 | S | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | D | A | -2.0935 | |
| 107 | I | A | -0.3269 | |
| 108 | L | A | -0.8256 | |
| 109 | S | A | -1.0301 | |
| 110 | S | A | -0.3787 | |
| 211 | I | A | 1.1114 | |
| 212 | K | A | -1.0992 | |
| 213 | A | A | -0.8962 | |
| 214 | D | A | -2.0377 | |
| 215 | H | A | -1.3853 | |
| 216 | V | A | 0.0083 | |
| 217 | S | A | -0.4920 | |
| 218 | T | A | 0.0841 | |
| 219 | Y | A | 0.7327 | |
| 220 | A | A | 0.2712 | |
| 221 | A | A | 0.1127 | |
| 222 | F | A | 0.0000 | |
| 223 | V | A | 0.0000 | |
| 224 | Q | A | -1.2344 | |
| 225 | T | A | -1.2475 | |
| 226 | H | A | -2.0840 | |
| 227 | R | A | -2.5209 | |
| 228 | P | A | -1.3473 | |
| 229 | T | A | -1.2233 | |
| 230 | G | A | 0.0000 | |
| 231 | E | A | -0.1936 | |
| 232 | F | A | 0.0000 | |
| 233 | M | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | E | A | -1.2820 | |
| 236 | F | A | 0.0000 | |
| 237 | D | A | -2.3089 | |
| 238 | E | A | -3.1830 | |
| 239 | D | A | -3.2053 | |
| 240 | E | A | -1.7539 | |
| 241 | M | A | 0.0000 | |
| 242 | F | A | 0.0000 | |
| 243 | Y | A | 0.2163 | |
| 244 | V | A | 0.0000 | |
| 245 | D | A | -2.0715 | |
| 246 | L | A | -2.3101 | |
| 247 | D | A | -3.3882 | |
| 248 | K | A | -3.8868 | |
| 249 | K | A | -4.0437 | |
| 250 | E | A | -3.6514 | |
| 251 | T | A | 0.0000 | |
| 252 | V | A | -0.5189 | |
| 253 | W | A | -0.5480 | |
| 254 | H | A | -1.2224 | |
| 255 | L | A | -0.9439 | |
| 256 | E | A | -1.9919 | |
| 257 | E | A | -1.8755 | |
| 258 | F | A | 0.0000 | |
| 259 | G | A | -0.8417 | |
| 260 | Q | A | -1.2551 | |
| 261 | A | A | 0.0000 | |
| 262 | F | A | 0.0000 | |
| 263 | S | A | -0.4215 | |
| 264 | F | A | -0.9862 | |
| 265 | E | A | -2.4070 | |
| 266 | A | A | -2.4537 | |
| 267 | Q | A | -2.4268 | |
| 268 | G | A | -1.3690 | |
| 269 | G | A | 0.0000 | |
| 270 | L | A | -0.9871 | |
| 271 | A | A | -0.2806 | |
| 272 | N | A | -0.5460 | |
| 273 | I | A | 0.0000 | |
| 274 | A | A | -0.0444 | |
| 275 | I | A | 0.4845 | |
| 276 | L | A | -0.4228 | |
| 277 | N | A | -1.4631 | |
| 278 | N | A | -1.6730 | |
| 279 | N | A | -1.2405 | |
| 280 | L | A | -0.9064 | |
| 281 | N | A | -2.0446 | |
| 282 | T | A | -1.3561 | |
| 283 | L | A | -0.8808 | |
| 284 | I | A | -1.6213 | |
| 285 | Q | A | -2.5379 | |
| 286 | R | A | -2.7046 | |
| 287 | S | A | -2.1682 | |
| 288 | N | A | -2.6046 | |
| 289 | H | A | -2.4173 | |
| 290 | T | A | -1.7028 | |
| 291 | Q | A | -1.6373 | |
| 292 | A | A | -0.8666 | |
| 293 | T | A | -0.8744 | |
| 294 | N | A | -1.2006 | |
| 295 | D | A | -2.2298 | |
| 296 | P | A | -1.8122 | |
| 297 | P | A | 0.0000 | |
| 298 | E | A | -2.4643 | |
| 299 | V | A | 0.0000 | |
| 300 | T | A | -0.3804 | |
| 301 | V | A | 0.0357 | |
| 302 | F | A | 0.0797 | |
| 303 | P | A | -1.0196 | |
| 304 | K | A | -2.2306 | |
| 305 | E | A | -2.7981 | |
| 306 | P | A | -1.7369 | |
| 307 | V | A | -1.3662 | |
| 308 | E | A | -1.5528 | |
| 309 | L | A | 0.4570 | |
| 310 | G | A | -0.0864 | |
| 311 | Q | A | -1.1676 | |
| 312 | P | A | -0.5263 | |
| 313 | N | A | 0.0000 | |
| 314 | T | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | I | A | 0.0000 | |
| 317 | C | A | 0.0000 | |
| 318 | H | A | -0.2717 | |
| 319 | I | A | 0.0000 | |
| 320 | D | A | -1.5307 | |
| 321 | K | A | -1.9673 | |
| 322 | F | A | 0.0000 | |
| 323 | F | A | -0.4010 | |
| 324 | P | A | -0.4103 | |
| 325 | P | A | 0.0000 | |
| 326 | V | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | N | A | -1.3268 | |
| 329 | V | A | -0.7384 | |
| 330 | T | A | -0.0749 | |
| 331 | W | A | 0.0000 | |
| 332 | L | A | -0.4086 | |
| 333 | C | A | -0.5715 | |
| 334 | N | A | -1.3008 | |
| 335 | G | A | -1.2985 | |
| 336 | E | A | -1.7172 | |
| 337 | L | A | -0.3120 | |
| 338 | V | A | -0.2444 | |
| 339 | T | A | -0.6682 | |
| 340 | E | A | -1.5522 | |
| 341 | G | A | -0.5939 | |
| 342 | V | A | -0.1384 | |
| 343 | A | A | -0.5702 | |
| 344 | E | A | -1.3097 | |
| 345 | S | A | -0.6872 | |
| 346 | L | A | -0.0244 | |
| 347 | F | A | 0.0570 | |
| 348 | L | A | 0.0000 | |
| 349 | P | A | -0.5187 | |
| 350 | R | A | -1.0801 | |
| 351 | T | A | -1.0052 | |
| 352 | D | A | -1.4735 | |
| 353 | Y | A | 0.1914 | |
| 354 | S | A | -0.6132 | |
| 355 | F | A | 0.0000 | |
| 356 | H | A | 0.0000 | |
| 357 | K | A | 0.0000 | |
| 358 | F | A | -0.0013 | |
| 359 | H | A | 0.0000 | |
| 360 | Y | A | -0.0256 | |
| 361 | L | A | 0.0000 | |
| 362 | T | A | -0.0167 | |
| 363 | F | A | 0.0000 | |
| 364 | V | A | 1.1527 | |
| 365 | P | A | 0.0000 | |
| 366 | S | A | -0.4921 | |
| 367 | A | A | -0.9935 | |
| 368 | E | A | -2.2690 | |
| 369 | D | A | -1.0910 | |
| 370 | F | A | -0.5288 | |
| 371 | Y | A | 0.0000 | |
| 372 | D | A | -0.8500 | |
| 373 | C | A | 0.0000 | |
| 374 | R | A | -0.8186 | |
| 375 | V | A | 0.0000 | |
| 376 | E | A | -1.8076 | |
| 377 | H | A | 0.0000 | |
| 378 | W | A | -0.4650 | |
| 379 | G | A | -1.1523 | |
| 380 | L | A | -1.4047 | |
| 381 | D | A | -2.3318 | |
| 382 | Q | A | -2.0050 | |
| 383 | P | A | -1.4625 | |
| 384 | L | A | -0.8749 | |
| 385 | L | A | -0.2159 | |
| 386 | K | A | -1.0749 | |
| 387 | H | A | -1.0732 | |
| 388 | W | A | -0.8178 | |
| 389 | E | A | -2.0393 | |
| 390 | A | A | -1.6006 | |
| 391 | Q | A | -1.9336 |
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