| Chain sequence(s) |
A: MVKEQIINIASKNPEKVYPIAALNERGFKRKQCKICKRYFWSIENRETCADHEPYSFIGKPIKPIEYKKLWDLTKKFFSERGYVPLNSYPVVARWRDDLDFVIASIVDFQPHIVNGEIEPIANRIIIPQYCLRFDDLPLVGYSGRHFTSFIMIGQHAFEKPENYNPYKYLRDLLDYFNYLGFKDNQLVIHEDAWAGGGNAGPSLEIFYTGLELANQVYMVYKVIDNKLIPMENIRVLDMGAGHERIVWALNGSINAYEVTFPNSLKYLRNYFDLDREIKDIYYLGYKIESKDDIINVAKEYAENFGFDLDYVLKAWEEYAKMYIVADHLRSVYLAIKDGMLPSNTGGGYNIRILLRRVFKIMEEKGFEIEKVIELIQKDLL
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 (00:06:53)
[INFO] Main: Simulation completed successfully. (00:06:55)
|
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 | -0.3227 | |
| 2 | V | A | -1.0347 | |
| 3 | K | A | -1.5986 | |
| 4 | E | A | -2.1928 | |
| 5 | Q | A | -1.7615 | |
| 6 | I | A | 0.0000 | |
| 7 | I | A | -1.1613 | |
| 8 | N | A | -1.8969 | |
| 9 | I | A | -0.9481 | |
| 10 | A | A | 0.0000 | |
| 11 | S | A | -1.4618 | |
| 12 | K | A | -2.3338 | |
| 13 | N | A | -2.3328 | |
| 14 | P | A | -1.9097 | |
| 15 | E | A | -2.8510 | |
| 16 | K | A | -2.6657 | |
| 17 | V | A | -1.1590 | |
| 18 | Y | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | I | A | -1.1319 | |
| 21 | A | A | -1.1283 | |
| 22 | A | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | N | A | -2.6249 | |
| 25 | E | A | -2.7455 | |
| 26 | R | A | -2.0598 | |
| 27 | G | A | -2.0717 | |
| 28 | F | A | 0.0000 | |
| 29 | K | A | -2.4233 | |
| 30 | R | A | -1.3775 | |
| 31 | K | A | -2.1428 | |
| 32 | Q | A | -2.1265 | |
| 33 | C | A | 0.0000 | |
| 34 | K | A | -2.0408 | |
| 35 | I | A | 0.0079 | |
| 36 | C | A | -0.5468 | |
| 37 | K | A | -1.9356 | |
| 38 | R | A | -1.2536 | |
| 39 | Y | A | -0.9383 | |
| 40 | F | A | 0.0000 | |
| 41 | W | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | I | A | -1.3006 | |
| 44 | E | A | -2.2881 | |
| 45 | N | A | -2.5149 | |
| 46 | R | A | -2.3634 | |
| 47 | E | A | -2.7112 | |
| 48 | T | A | -1.9928 | |
| 49 | C | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | D | A | -2.1425 | |
| 52 | H | A | -1.4602 | |
| 53 | E | A | -1.3573 | |
| 54 | P | A | -0.7339 | |
| 55 | Y | A | 0.0000 | |
| 56 | S | A | -0.5000 | |
| 57 | F | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | G | A | -1.2675 | |
| 60 | K | A | -2.2310 | |
| 61 | P | A | -1.6266 | |
| 62 | I | A | -1.3597 | |
| 63 | K | A | -1.9390 | |
| 64 | P | A | -1.5443 | |
| 65 | I | A | -1.5440 | |
| 66 | E | A | -2.2881 | |
| 67 | Y | A | 0.0000 | |
| 68 | K | A | -1.8964 | |
| 69 | K | A | -2.2904 | |
| 70 | L | A | 0.0000 | |
| 71 | W | A | -1.6352 | |
| 72 | D | A | -2.5621 | |
| 73 | L | A | -1.4937 | |
| 74 | T | A | 0.0000 | |
| 75 | K | A | -2.0549 | |
| 76 | K | A | -2.6193 | |
| 77 | F | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | S | A | -1.7453 | |
| 80 | E | A | -2.5683 | |
| 81 | R | A | -1.7371 | |
| 82 | G | A | -1.2123 | |
| 83 | Y | A | 0.0000 | |
| 84 | V | A | 0.4039 | |
| 85 | P | A | -0.3350 | |
| 86 | L | A | -0.0433 | |
| 87 | N | A | -1.1098 | |
| 88 | S | A | -0.3736 | |
| 89 | Y | A | -0.0861 | |
| 90 | P | A | -0.6743 | |
| 91 | V | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | R | A | -2.2585 | |
| 95 | W | A | -1.3467 | |
| 96 | R | A | -2.0921 | |
| 97 | D | A | -3.1084 | |
| 98 | D | A | -2.7287 | |
| 99 | L | A | -1.7290 | |
| 100 | D | A | -2.0567 | |
| 101 | F | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | I | A | 0.4535 | |
| 104 | A | A | 0.0000 | |
| 105 | S | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | D | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | Q | A | 0.0000 | |
| 111 | P | A | -0.6438 | |
| 112 | H | A | -1.0620 | |
| 113 | I | A | -0.5317 | |
| 114 | V | A | 0.0000 | |
| 115 | N | A | -1.8965 | |
| 116 | G | A | -2.2529 | |
| 117 | E | A | -1.8944 | |
| 118 | I | A | -0.1159 | |
| 119 | E | A | -1.2851 | |
| 120 | P | A | -0.1661 | |
| 121 | I | A | 1.6294 | |
| 122 | A | A | 0.1497 | |
| 123 | N | A | -1.3599 | |
| 124 | R | A | -0.6399 | |
| 125 | I | A | 0.0000 | |
| 126 | I | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | P | A | 0.0000 | |
| 129 | Q | A | 0.0000 | |
| 130 | Y | A | 0.4688 | |
| 131 | C | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | R | A | -0.8968 | |
| 134 | F | A | -0.9761 | |
| 135 | D | A | -2.0290 | |
| 136 | D | A | -1.8262 | |
| 137 | L | A | -0.8857 | |
| 138 | P | A | -1.3014 | |
| 139 | L | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | G | A | 0.0000 | |
| 142 | Y | A | -0.3280 | |
| 143 | S | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | R | A | 0.0000 | |
| 146 | H | A | 0.0000 | |
| 147 | F | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | S | A | 0.0000 | |
| 150 | F | A | 0.2280 | |
| 151 | I | A | 0.0000 | |
| 152 | M | A | 0.2120 | |
| 153 | I | A | 0.0000 | |
| 154 | G | A | 0.0000 | |
| 155 | Q | A | 0.0000 | |
| 156 | H | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | E | A | 0.0000 | |
| 160 | K | A | -3.7220 | |
| 161 | P | A | -3.0206 | |
| 162 | E | A | -3.2880 | |
| 163 | N | A | -2.9113 | |
| 164 | Y | A | -1.9955 | |
| 165 | N | A | -1.5562 | |
| 166 | P | A | -0.5668 | |
| 167 | Y | A | -0.2062 | |
| 168 | K | A | -0.8742 | |
| 169 | Y | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | R | A | -1.2526 | |
| 172 | D | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | L | A | 0.0000 | |
| 175 | D | A | -0.8763 | |
| 176 | Y | A | 0.0000 | |
| 177 | F | A | 0.0000 | |
| 178 | N | A | -0.9343 | |
| 179 | Y | A | 0.1145 | |
| 180 | L | A | 0.0000 | |
| 181 | G | A | -0.9568 | |
| 182 | F | A | 0.0000 | |
| 183 | K | A | -2.2443 | |
| 184 | D | A | -1.7457 | |
| 185 | N | A | -1.6784 | |
| 186 | Q | A | -1.4292 | |
| 187 | L | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | H | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | D | A | -0.6399 | |
| 193 | A | A | 0.0000 | |
| 194 | W | A | -0.2328 | |
| 195 | A | A | -0.2489 | |
| 196 | G | A | -0.3608 | |
| 197 | G | A | -0.6952 | |
| 198 | G | A | -0.6339 | |
| 199 | N | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | P | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | E | A | -0.4679 | |
| 206 | I | A | 0.0000 | |
| 207 | F | A | 0.0000 | |
| 208 | Y | A | 0.0000 | |
| 209 | T | A | -0.6396 | |
| 210 | G | A | -0.9819 | |
| 211 | L | A | 0.0000 | |
| 212 | E | A | -0.8510 | |
| 213 | L | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | N | A | -0.3981 | |
| 216 | Q | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | M | A | 0.0000 | |
| 220 | V | A | -0.1746 | |
| 221 | Y | A | -0.1885 | |
| 222 | K | A | -0.5882 | |
| 223 | V | A | -0.4779 | |
| 224 | I | A | -0.1273 | |
| 225 | D | A | -2.1509 | |
| 226 | N | A | -2.1846 | |
| 227 | K | A | -2.0499 | |
| 228 | L | A | -0.8227 | |
| 229 | I | A | -0.1169 | |
| 230 | P | A | -0.8508 | |
| 231 | M | A | 0.0000 | |
| 232 | E | A | -2.8524 | |
| 233 | N | A | -3.1577 | |
| 234 | I | A | 0.0000 | |
| 235 | R | A | -2.1161 | |
| 236 | V | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | D | A | 0.0000 | |
| 239 | M | A | 0.0000 | |
| 240 | G | A | -0.1271 | |
| 241 | A | A | 0.0000 | |
| 242 | G | A | -0.1789 | |
| 243 | H | A | 0.0000 | |
| 244 | E | A | 0.0000 | |
| 245 | R | A | -0.3428 | |
| 246 | I | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | W | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | L | A | 0.0000 | |
| 251 | N | A | -1.3199 | |
| 252 | G | A | 0.0000 | |
| 253 | S | A | -0.4661 | |
| 254 | I | A | -0.2874 | |
| 255 | N | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Y | A | 0.0000 | |
| 258 | E | A | -0.4203 | |
| 259 | V | A | -0.3635 | |
| 260 | T | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | P | A | -0.9928 | |
| 263 | N | A | -1.3728 | |
| 264 | S | A | 0.0000 | |
| 265 | L | A | 0.0000 | |
| 266 | K | A | -2.1744 | |
| 267 | Y | A | -1.4837 | |
| 268 | L | A | 0.0000 | |
| 269 | R | A | -1.9699 | |
| 270 | N | A | -1.9750 | |
| 271 | Y | A | -1.1690 | |
| 272 | F | A | 0.0000 | |
| 273 | D | A | -2.6136 | |
| 274 | L | A | -2.0105 | |
| 275 | D | A | -2.5583 | |
| 276 | R | A | -3.3560 | |
| 277 | E | A | -2.5953 | |
| 278 | I | A | 0.0000 | |
| 279 | K | A | -2.4197 | |
| 280 | D | A | -2.1852 | |
| 281 | I | A | 0.0000 | |
| 282 | Y | A | 0.0000 | |
| 283 | Y | A | -0.1657 | |
| 284 | L | A | -0.2475 | |
| 285 | G | A | 0.0000 | |
| 286 | Y | A | -0.9557 | |
| 287 | K | A | -1.8598 | |
| 288 | I | A | 0.0000 | |
| 289 | E | A | -2.8782 | |
| 290 | S | A | -2.6095 | |
| 291 | K | A | -3.0158 | |
| 292 | D | A | -2.9051 | |
| 293 | D | A | -2.4224 | |
| 294 | I | A | 0.0000 | |
| 295 | I | A | -0.4313 | |
| 296 | N | A | -1.6320 | |
| 297 | V | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | K | A | -2.3136 | |
| 300 | E | A | -2.3303 | |
| 301 | Y | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | E | A | -2.7813 | |
| 304 | N | A | -1.7591 | |
| 305 | F | A | 0.1237 | |
| 306 | G | A | -0.7838 | |
| 307 | F | A | -1.0575 | |
| 308 | D | A | -1.9720 | |
| 309 | L | A | -1.7020 | |
| 310 | D | A | -2.2193 | |
| 311 | Y | A | -1.2772 | |
| 312 | V | A | 0.0000 | |
| 313 | L | A | -1.2880 | |
| 314 | K | A | -2.4574 | |
| 315 | A | A | 0.0000 | |
| 316 | W | A | 0.0000 | |
| 317 | E | A | -1.8659 | |
| 318 | E | A | -1.7448 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | K | A | -1.0002 | |
| 322 | M | A | 0.0000 | |
| 323 | Y | A | 0.0000 | |
| 324 | I | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | A | A | 0.0000 | |
| 327 | D | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | L | A | 0.0000 | |
| 330 | R | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | V | A | 0.0000 | |
| 333 | Y | A | -0.0374 | |
| 334 | L | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | I | A | 0.3458 | |
| 337 | K | A | -1.2821 | |
| 338 | D | A | -0.9048 | |
| 339 | G | A | -0.4613 | |
| 340 | M | A | 0.5567 | |
| 341 | L | A | 1.4349 | |
| 342 | P | A | 0.4431 | |
| 343 | S | A | -0.2364 | |
| 344 | N | A | -1.2038 | |
| 345 | T | A | -0.6917 | |
| 346 | G | A | -0.7020 | |
| 347 | G | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | Y | A | 0.2648 | |
| 350 | N | A | -0.3590 | |
| 351 | I | A | 0.0000 | |
| 352 | R | A | -0.9466 | |
| 353 | I | A | -0.5787 | |
| 354 | L | A | 0.0000 | |
| 355 | L | A | -0.9412 | |
| 356 | R | A | -2.2021 | |
| 357 | R | A | -1.5954 | |
| 358 | V | A | 0.0000 | |
| 359 | F | A | -1.3268 | |
| 360 | K | A | -2.9684 | |
| 361 | I | A | 0.0000 | |
| 362 | M | A | -2.2677 | |
| 363 | E | A | -3.1691 | |
| 364 | E | A | -3.1731 | |
| 365 | K | A | -2.4992 | |
| 366 | G | A | -1.7470 | |
| 367 | F | A | 0.0000 | |
| 368 | E | A | -2.3818 | |
| 369 | I | A | -1.6853 | |
| 370 | E | A | -2.8799 | |
| 371 | K | A | -2.5626 | |
| 372 | V | A | 0.0000 | |
| 373 | I | A | -1.7395 | |
| 374 | E | A | -2.9132 | |
| 375 | L | A | -2.0553 | |
| 376 | I | A | 0.0000 | |
| 377 | Q | A | -1.9784 | |
| 378 | K | A | -2.3727 | |
| 379 | D | A | 0.0000 | |
| 380 | L | A | -0.3813 | |
| 381 | L | A | -0.0584 |
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