| Chain sequence(s) |
A: RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSVHAPSSRRTTLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKP
B: KLEVVAATPTSLLISWDDAQTYQMYDYVSYYRITYGETGGNSPVQEFTVPGYYSTATISGLKPGVDYTITVYAEGYYSSSYSPISINYRT input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:04:59)
[INFO] Main: Simulation completed successfully. (00:05:01)
|
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 | |
| 126 | R | A | -2.2244 | |
| 127 | Q | A | -1.8705 | |
| 128 | W | A | -1.0499 | |
| 129 | A | A | -0.7165 | |
| 130 | L | A | -0.5720 | |
| 131 | E | A | -2.0028 | |
| 132 | D | A | -2.0043 | |
| 133 | F | A | 0.0000 | |
| 134 | E | A | -2.2175 | |
| 135 | I | A | -0.3741 | |
| 136 | G | A | -0.9276 | |
| 137 | R | A | -1.5207 | |
| 138 | P | A | -0.8989 | |
| 139 | L | A | -0.2229 | |
| 140 | G | A | -1.1570 | |
| 141 | K | A | -2.1488 | |
| 142 | G | A | -1.7946 | |
| 143 | K | A | -2.1322 | |
| 144 | F | A | -1.4512 | |
| 145 | G | A | -1.0296 | |
| 146 | N | A | -0.9712 | |
| 147 | V | A | -0.4173 | |
| 148 | Y | A | -0.1358 | |
| 149 | L | A | -0.1036 | |
| 150 | A | A | 0.0000 | |
| 151 | R | A | -1.5066 | |
| 152 | E | A | 0.0000 | |
| 153 | K | A | -3.0720 | |
| 154 | Q | A | -2.3350 | |
| 155 | S | A | -1.6348 | |
| 156 | K | A | -2.3709 | |
| 157 | F | A | -0.2880 | |
| 158 | I | A | 0.2007 | |
| 159 | L | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | -0.3843 | |
| 163 | V | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | F | A | -0.6127 | |
| 166 | K | A | -1.1412 | |
| 167 | A | A | -1.2544 | |
| 168 | Q | A | -1.9980 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -2.8698 | |
| 171 | K | A | -2.7970 | |
| 172 | A | A | -1.8506 | |
| 173 | G | A | -1.7970 | |
| 174 | V | A | -1.2834 | |
| 175 | E | A | -1.5035 | |
| 176 | H | A | -1.5386 | |
| 177 | Q | A | -1.2182 | |
| 178 | L | A | 0.0000 | |
| 179 | R | A | -0.9043 | |
| 180 | R | A | -1.0019 | |
| 181 | E | A | -0.8612 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | Q | A | 0.0000 | |
| 186 | S | A | -0.4579 | |
| 187 | H | A | -0.6033 | |
| 188 | L | A | 0.0000 | |
| 189 | R | A | -1.3540 | |
| 190 | H | A | -0.9885 | |
| 191 | P | A | -0.8409 | |
| 192 | N | A | 0.0000 | |
| 193 | I | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | R | A | -1.1214 | |
| 196 | L | A | 0.0000 | |
| 197 | Y | A | -0.2808 | |
| 198 | G | A | 0.0000 | |
| 199 | Y | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | H | A | -0.7276 | |
| 202 | D | A | -0.9472 | |
| 203 | A | A | -0.5213 | |
| 204 | T | A | -0.5951 | |
| 205 | R | A | -0.9579 | |
| 206 | V | A | 0.0000 | |
| 207 | Y | A | 0.0000 | |
| 208 | L | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | L | A | 0.0367 | |
| 211 | E | A | 0.0434 | |
| 212 | Y | A | 0.6409 | |
| 213 | A | A | 0.5284 | |
| 214 | P | A | 0.6762 | |
| 215 | L | A | 0.9891 | |
| 216 | G | A | 0.2121 | |
| 217 | T | A | -0.4258 | |
| 218 | V | A | 0.0000 | |
| 219 | Y | A | -1.2689 | |
| 220 | R | A | -2.4454 | |
| 221 | E | A | -1.6384 | |
| 222 | L | A | 0.0000 | |
| 223 | Q | A | -2.5311 | |
| 224 | K | A | -2.4407 | |
| 225 | L | A | -1.0647 | |
| 226 | S | A | -1.5358 | |
| 227 | K | A | -2.0221 | |
| 228 | F | A | 0.0000 | |
| 229 | D | A | -2.5301 | |
| 230 | E | A | -2.0262 | |
| 231 | Q | A | -2.1430 | |
| 232 | R | A | -1.8640 | |
| 233 | T | A | 0.0000 | |
| 234 | A | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | T | A | -0.5803 | |
| 239 | E | A | -0.4939 | |
| 240 | L | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | N | A | -0.7733 | |
| 243 | A | A | 0.0000 | |
| 244 | L | A | 0.0000 | |
| 245 | S | A | -0.8457 | |
| 246 | Y | A | -0.5761 | |
| 247 | C | A | 0.0000 | |
| 248 | H | A | 0.0000 | |
| 249 | S | A | -1.2389 | |
| 250 | K | A | -1.7152 | |
| 251 | R | A | -2.5133 | |
| 252 | V | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | H | A | 0.0000 | |
| 255 | R | A | 0.0000 | |
| 256 | D | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | K | A | -0.6049 | |
| 259 | P | A | 0.0000 | |
| 260 | E | A | -1.4910 | |
| 261 | N | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | L | A | 0.0863 | |
| 264 | L | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | S | A | 0.0722 | |
| 267 | A | A | -0.0276 | |
| 268 | G | A | -0.0524 | |
| 269 | E | A | -0.3945 | |
| 270 | L | A | 0.0000 | |
| 271 | K | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | D | A | -0.9419 | |
| 275 | F | A | 0.0000 | |
| 276 | G | A | -0.7068 | |
| 277 | W | A | -0.2212 | |
| 278 | S | A | 0.0000 | |
| 279 | V | A | 0.0000 | |
| 280 | H | A | 0.0000 | |
| 281 | A | A | -1.3973 | |
| 282 | P | A | -0.9355 | |
| 283 | S | A | -0.9728 | |
| 284 | S | A | -1.3051 | |
| 285 | R | A | -1.9228 | |
| 286 | R | A | -1.2194 | |
| 287 | T | A | -0.8619 | |
| 288 | T | A | -0.2512 | |
| 289 | L | A | 0.3913 | |
| 290 | C | A | 0.4768 | |
| 291 | G | A | 0.1215 | |
| 292 | T | A | 0.1252 | |
| 293 | L | A | 0.3736 | |
| 294 | D | A | -0.4102 | |
| 295 | Y | A | 0.0000 | |
| 296 | L | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | E | A | 0.0000 | |
| 300 | M | A | 0.0000 | |
| 301 | I | A | -0.4918 | |
| 302 | E | A | -1.2416 | |
| 303 | G | A | -1.2884 | |
| 304 | R | A | -1.7631 | |
| 305 | M | A | -0.6417 | |
| 306 | H | A | 0.0000 | |
| 307 | D | A | -1.5101 | |
| 308 | E | A | -1.4699 | |
| 309 | K | A | -0.9393 | |
| 310 | V | A | 0.0000 | |
| 311 | D | A | 0.0000 | |
| 312 | L | A | 0.0000 | |
| 313 | W | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | G | A | 0.0000 | |
| 317 | V | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | C | A | 0.0000 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | -1.0337 | |
| 322 | F | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | V | A | -0.7017 | |
| 325 | G | A | -1.3977 | |
| 326 | K | A | -2.0621 | |
| 327 | P | A | -1.2474 | |
| 328 | P | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | E | A | -1.5935 | |
| 331 | A | A | -1.2335 | |
| 332 | N | A | -1.4723 | |
| 333 | T | A | -0.5211 | |
| 334 | Y | A | 0.1619 | |
| 335 | Q | A | -0.9692 | |
| 336 | E | A | -1.6147 | |
| 337 | T | A | 0.0000 | |
| 338 | Y | A | -1.0772 | |
| 339 | K | A | -2.7082 | |
| 340 | R | A | -2.5251 | |
| 341 | I | A | 0.0000 | |
| 342 | S | A | -1.9637 | |
| 343 | R | A | -2.8881 | |
| 344 | V | A | -1.8389 | |
| 345 | E | A | -2.4656 | |
| 346 | F | A | -0.8178 | |
| 347 | T | A | -0.3467 | |
| 348 | F | A | 0.0697 | |
| 349 | P | A | -0.3007 | |
| 350 | D | A | -1.2027 | |
| 351 | F | A | 0.6924 | |
| 352 | V | A | 0.0000 | |
| 353 | T | A | -1.2870 | |
| 354 | E | A | -2.6169 | |
| 355 | G | A | -1.9641 | |
| 356 | A | A | 0.0000 | |
| 357 | R | A | -2.5830 | |
| 358 | D | A | -2.9747 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | S | A | -1.4335 | |
| 362 | R | A | -1.8859 | |
| 363 | L | A | 0.0000 | |
| 364 | L | A | 0.0000 | |
| 365 | K | A | -1.6965 | |
| 366 | H | A | -1.6460 | |
| 367 | N | A | -1.5651 | |
| 368 | P | A | -1.3585 | |
| 369 | S | A | -1.1605 | |
| 370 | Q | A | -1.7526 | |
| 371 | R | A | 0.0000 | |
| 372 | P | A | 0.0000 | |
| 373 | M | A | -0.7143 | |
| 374 | L | A | 0.0000 | |
| 375 | R | A | -2.4959 | |
| 376 | E | A | -2.1782 | |
| 377 | V | A | 0.0000 | |
| 378 | L | A | -1.5339 | |
| 379 | E | A | -2.4960 | |
| 380 | H | A | -1.7517 | |
| 381 | P | A | -1.0721 | |
| 382 | W | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | T | A | -0.8147 | |
| 385 | A | A | -0.5648 | |
| 386 | N | A | -1.2176 | |
| 387 | S | A | -1.1252 | |
| 388 | S | A | -1.4974 | |
| 389 | K | A | -1.9589 | |
| 390 | P | A | -1.1224 | |
| 9 | K | B | -2.2571 | |
| 10 | L | B | 0.0000 | |
| 11 | E | B | -1.3037 | |
| 12 | V | B | 0.6061 | |
| 13 | V | B | 1.6906 | |
| 14 | A | B | 0.9705 | |
| 15 | A | B | 0.3086 | |
| 16 | T | B | -0.2240 | |
| 17 | P | B | -1.1043 | |
| 18 | T | B | -1.0187 | |
| 19 | S | B | -0.5218 | |
| 20 | L | B | 0.0000 | |
| 21 | L | B | 0.8737 | |
| 22 | I | B | 0.0000 | |
| 23 | S | B | -0.6417 | |
| 24 | W | B | 0.0000 | |
| 25 | D | B | -2.2805 | |
| 26 | A | B | -1.6735 | |
| 27 | Q | B | -1.1203 | |
| 28 | T | B | -0.6980 | |
| 29 | Y | B | -0.2644 | |
| 30 | Q | B | -0.7950 | |
| 31 | M | B | -0.0517 | |
| 32 | Y | B | 0.0000 | |
| 33 | D | B | -0.2277 | |
| 34 | Y | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | S | B | 0.2960 | |
| 37 | Y | B | 0.4865 | |
| 38 | Y | B | 0.0000 | |
| 39 | R | B | -0.5498 | |
| 40 | I | B | 0.0000 | |
| 41 | T | B | -0.6367 | |
| 42 | Y | B | -0.5237 | |
| 43 | G | B | -1.1635 | |
| 44 | E | B | -2.5179 | |
| 45 | T | B | -1.6305 | |
| 46 | G | B | -1.5308 | |
| 47 | G | B | -1.8779 | |
| 48 | N | B | -1.8394 | |
| 49 | S | B | -1.0997 | |
| 50 | P | B | -0.5849 | |
| 51 | V | B | 0.1295 | |
| 52 | Q | B | -1.3152 | |
| 53 | E | B | -1.8161 | |
| 54 | F | B | -0.6547 | |
| 55 | T | B | -0.1960 | |
| 56 | V | B | 0.0000 | |
| 57 | P | B | 0.1819 | |
| 58 | G | B | 0.0000 | |
| 59 | Y | B | 0.1948 | |
| 60 | Y | B | 0.1547 | |
| 61 | S | B | -0.5076 | |
| 62 | T | B | -0.1555 | |
| 63 | A | B | 0.2951 | |
| 64 | T | B | 0.2936 | |
| 65 | I | B | 0.0000 | |
| 66 | S | B | -0.6480 | |
| 67 | G | B | -1.0480 | |
| 68 | L | B | 0.0000 | |
| 69 | K | B | -2.4518 | |
| 70 | P | B | -1.6614 | |
| 71 | G | B | -1.4426 | |
| 72 | V | B | -1.7294 | |
| 73 | D | B | -2.3761 | |
| 74 | Y | B | 0.0000 | |
| 75 | T | B | -0.8835 | |
| 76 | I | B | 0.0000 | |
| 77 | T | B | -0.2874 | |
| 78 | V | B | 0.0000 | |
| 79 | Y | B | 0.0666 | |
| 80 | A | B | 0.0000 | |
| 81 | E | B | -0.0109 | |
| 82 | G | B | 0.1354 | |
| 83 | Y | B | -0.0786 | |
| 84 | Y | B | -0.0198 | |
| 85 | S | B | -0.0418 | |
| 86 | S | B | -0.1129 | |
| 87 | Y | B | -0.1323 | |
| 88 | S | B | -0.1588 | |
| 89 | P | B | -0.2822 | |
| 90 | I | B | -0.2700 | |
| 91 | S | B | -0.5523 | |
| 92 | I | B | -0.4614 | |
| 93 | N | B | -1.6411 | |
| 94 | Y | B | -1.3450 | |
| 95 | R | B | -2.5947 | |
| 96 | T | B | -1.6565 |
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