| Chain sequence(s) |
A: PQFDILCKTPPKVLVRQFVERFERPSGEKIALCAAELTYLCWMITHNGTAIKRATFMSYNTIISNSLSFDIVNKSLQFKYKTQKATILEASLKKLIPAWEFTIIPYYSDITDIVSSLQLQFESKGNSHSKKMLKALLSEGESIWEITEKILNSFEYTSRFTKTKTLYQFLFLATFINCGRFSDIKNVDPKSFKLVQNKYLGVIIQCLVTETKTSVSRHIYFFSARGRIDPLVYLDEFLRNSEPVLKRVNRTGNSSSNKQEYQLLKDNLVRSYNKALKKNAPYSIFAIKNGPKSHIGRHLMTSFLSMKGLTELTNVVGNWSDKTTYTHQITAIPDHYFALVSRYYAYDPISKEMIALKDETNPIEEWQHIEQLKGSAEGSIRYPAWNGIISQEVLDYLSSYINRRI
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 (00:10:47)
[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 | |
| 2 | P | A | -0.2463 | |
| 3 | Q | A | -0.2128 | |
| 4 | F | A | 0.0000 | |
| 5 | D | A | -0.3496 | |
| 6 | I | A | 0.8962 | |
| 7 | L | A | 0.0000 | |
| 8 | C | A | -0.8119 | |
| 9 | K | A | -1.3471 | |
| 10 | T | A | -0.5272 | |
| 11 | P | A | -0.7996 | |
| 12 | P | A | -1.1143 | |
| 13 | K | A | -1.7755 | |
| 14 | V | A | -0.5783 | |
| 15 | L | A | 0.0000 | |
| 16 | V | A | -1.0460 | |
| 17 | R | A | -2.4744 | |
| 18 | Q | A | -2.0165 | |
| 19 | F | A | 0.0000 | |
| 20 | V | A | -1.6788 | |
| 21 | E | A | -3.2954 | |
| 22 | R | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | E | A | -3.2342 | |
| 25 | R | A | -3.2939 | |
| 26 | P | A | -1.9043 | |
| 27 | S | A | -1.6325 | |
| 28 | G | A | -1.1471 | |
| 29 | E | A | -1.9596 | |
| 30 | K | A | -1.5878 | |
| 31 | I | A | 0.0000 | |
| 32 | A | A | 0.2079 | |
| 33 | L | A | 1.0795 | |
| 34 | C | A | 0.0000 | |
| 35 | A | A | 0.3811 | |
| 36 | A | A | 0.2510 | |
| 37 | E | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | Y | A | 0.4071 | |
| 41 | L | A | 0.4661 | |
| 42 | C | A | 0.0000 | |
| 43 | W | A | 0.0148 | |
| 44 | M | A | -0.1138 | |
| 45 | I | A | 0.3891 | |
| 46 | T | A | -0.2839 | |
| 47 | H | A | -0.8861 | |
| 48 | N | A | -1.4432 | |
| 49 | G | A | -1.0248 | |
| 50 | T | A | -0.7594 | |
| 51 | A | A | -1.0627 | |
| 52 | I | A | 0.0000 | |
| 53 | K | A | -1.2777 | |
| 54 | R | A | -0.9524 | |
| 55 | A | A | -0.4036 | |
| 56 | T | A | -0.3812 | |
| 57 | F | A | 0.0000 | |
| 58 | M | A | 0.0597 | |
| 59 | S | A | 0.1318 | |
| 60 | Y | A | 0.0222 | |
| 61 | N | A | -0.1901 | |
| 62 | T | A | -0.3635 | |
| 63 | I | A | -0.2914 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -0.6150 | |
| 66 | N | A | -1.3997 | |
| 67 | S | A | -0.6379 | |
| 68 | L | A | -0.1830 | |
| 69 | S | A | -0.2780 | |
| 70 | F | A | 0.0359 | |
| 71 | D | A | -0.1923 | |
| 72 | I | A | 0.3509 | |
| 73 | V | A | 1.0884 | |
| 74 | N | A | -0.8951 | |
| 75 | K | A | -1.0115 | |
| 76 | S | A | -1.1915 | |
| 77 | L | A | 0.0000 | |
| 78 | Q | A | -0.8341 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -0.4594 | |
| 81 | Y | A | 0.0000 | |
| 82 | K | A | -1.1326 | |
| 83 | T | A | -1.3048 | |
| 84 | Q | A | -1.8156 | |
| 85 | K | A | -1.2973 | |
| 86 | A | A | -0.4572 | |
| 87 | T | A | 0.3100 | |
| 88 | I | A | 1.4516 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -0.6737 | |
| 91 | A | A | -0.3663 | |
| 92 | S | A | -0.1690 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -1.9869 | |
| 95 | K | A | -1.9057 | |
| 96 | L | A | -0.4298 | |
| 97 | I | A | 0.0000 | |
| 98 | P | A | -1.1955 | |
| 99 | A | A | -1.0351 | |
| 100 | W | A | 0.0000 | |
| 101 | E | A | -2.4490 | |
| 102 | F | A | 0.0000 | |
| 103 | T | A | -0.8494 | |
| 104 | I | A | 0.0000 | |
| 105 | I | A | 0.3243 | |
| 106 | P | A | 0.1844 | |
| 107 | Y | A | 1.1336 | |
| 108 | Y | A | 1.5071 | |
| 114 | S | A | -0.7800 | |
| 115 | D | A | -1.1242 | |
| 116 | I | A | 1.1938 | |
| 117 | T | A | 0.3195 | |
| 118 | D | A | -1.0469 | |
| 119 | I | A | 1.0070 | |
| 120 | V | A | 1.8180 | |
| 121 | S | A | 0.8599 | |
| 122 | S | A | 0.8075 | |
| 123 | L | A | 1.2623 | |
| 124 | Q | A | 0.6663 | |
| 125 | L | A | 1.1639 | |
| 126 | Q | A | 0.0526 | |
| 127 | F | A | 0.8293 | |
| 128 | E | A | -0.9674 | |
| 129 | S | A | -0.6642 | |
| 135 | K | A | -2.7509 | |
| 136 | G | A | -2.8698 | |
| 137 | N | A | -3.3719 | |
| 138 | S | A | -2.7920 | |
| 139 | H | A | -2.7285 | |
| 140 | S | A | -3.1329 | |
| 141 | K | A | -3.6712 | |
| 142 | K | A | -3.3716 | |
| 143 | M | A | -1.9177 | |
| 144 | L | A | -1.7935 | |
| 145 | K | A | -2.7505 | |
| 146 | A | A | -1.8268 | |
| 147 | L | A | -1.1775 | |
| 148 | L | A | -0.9742 | |
| 149 | S | A | -1.5677 | |
| 150 | E | A | -2.4350 | |
| 151 | G | A | -1.8110 | |
| 152 | E | A | -1.7525 | |
| 153 | S | A | -1.2536 | |
| 154 | I | A | 0.0000 | |
| 155 | W | A | -1.1196 | |
| 156 | E | A | -2.2095 | |
| 157 | I | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | E | A | -1.9233 | |
| 160 | K | A | -1.9288 | |
| 161 | I | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | N | A | -1.6172 | |
| 164 | S | A | -1.2192 | |
| 165 | F | A | 0.0000 | |
| 166 | E | A | -0.8253 | |
| 167 | Y | A | 0.5109 | |
| 168 | T | A | -0.3193 | |
| 169 | S | A | -0.6402 | |
| 170 | R | A | -1.0593 | |
| 171 | F | A | 0.5151 | |
| 172 | T | A | -0.6462 | |
| 173 | K | A | -1.8663 | |
| 174 | T | A | -0.9394 | |
| 175 | K | A | -1.1163 | |
| 176 | T | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | Q | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | 0.0000 | |
| 186 | F | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | N | A | 0.0000 | |
| 189 | C | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | R | A | -1.1832 | |
| 192 | F | A | 0.0000 | |
| 193 | S | A | -0.8074 | |
| 194 | D | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | K | A | 0.0000 | |
| 197 | N | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | D | A | -0.8955 | |
| 200 | P | A | 0.0000 | |
| 201 | K | A | -2.0830 | |
| 202 | S | A | -1.2629 | |
| 203 | F | A | 0.0000 | |
| 204 | K | A | -2.1958 | |
| 205 | L | A | -0.8749 | |
| 206 | V | A | -0.3334 | |
| 207 | Q | A | -1.4753 | |
| 208 | N | A | 0.0000 | |
| 209 | K | A | -1.9911 | |
| 210 | Y | A | -0.8938 | |
| 211 | L | A | 0.0000 | |
| 212 | G | A | 0.0000 | |
| 213 | V | A | 0.0000 | |
| 214 | I | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | Q | A | -0.6048 | |
| 217 | C | A | 0.0000 | |
| 218 | L | A | -0.1617 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | -0.1997 | |
| 221 | E | A | -0.6325 | |
| 222 | T | A | 0.0000 | |
| 223 | K | A | -1.7679 | |
| 224 | T | A | -0.6332 | |
| 225 | S | A | -0.2962 | |
| 226 | V | A | 0.7743 | |
| 227 | S | A | 0.0549 | |
| 228 | R | A | 0.0000 | |
| 229 | H | A | 0.0539 | |
| 230 | I | A | 0.0000 | |
| 231 | Y | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | S | A | -0.3601 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -2.2637 | |
| 237 | G | A | -2.0893 | |
| 238 | R | A | -2.2880 | |
| 239 | I | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.2539 | |
| 244 | Y | A | -0.0460 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -1.0324 | |
| 247 | E | A | -2.2192 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | R | A | -3.0987 | |
| 251 | N | A | -2.5169 | |
| 252 | S | A | 0.0000 | |
| 253 | E | A | -2.0762 | |
| 254 | P | A | -0.7277 | |
| 255 | V | A | 0.0000 | |
| 256 | L | A | 0.7650 | |
| 257 | K | A | -0.6053 | |
| 258 | R | A | -0.8908 | |
| 259 | V | A | -0.0449 | |
| 260 | N | A | -0.9378 | |
| 261 | R | A | -1.7547 | |
| 262 | T | A | -1.4443 | |
| 263 | G | A | -1.4895 | |
| 264 | N | A | -1.9787 | |
| 265 | S | A | -1.4798 | |
| 266 | S | A | -1.2976 | |
| 267 | S | A | -1.7607 | |
| 268 | N | A | -2.7204 | |
| 269 | K | A | -2.8512 | |
| 270 | Q | A | -2.1080 | |
| 271 | E | A | -2.0735 | |
| 272 | Y | A | -0.5730 | |
| 273 | Q | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -1.3942 | |
| 277 | D | A | -2.2188 | |
| 278 | N | A | -2.3774 | |
| 279 | L | A | 0.0000 | |
| 280 | V | A | -1.6330 | |
| 281 | R | A | -2.7206 | |
| 282 | S | A | -1.8818 | |
| 283 | Y | A | 0.0000 | |
| 284 | N | A | -2.2592 | |
| 285 | K | A | -2.9765 | |
| 286 | A | A | -2.1633 | |
| 287 | L | A | 0.0000 | |
| 288 | K | A | -2.8539 | |
| 289 | K | A | -2.8802 | |
| 290 | N | A | -1.9289 | |
| 291 | A | A | -1.2714 | |
| 292 | P | A | -0.8874 | |
| 293 | Y | A | -0.2106 | |
| 294 | S | A | -0.1247 | |
| 295 | I | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | A | A | -1.1456 | |
| 298 | I | A | -1.4538 | |
| 299 | K | A | -2.5820 | |
| 300 | N | A | -2.3713 | |
| 301 | G | A | -1.9242 | |
| 302 | P | A | -1.0820 | |
| 303 | K | A | -1.1931 | |
| 304 | S | A | 0.0000 | |
| 305 | H | A | -0.9467 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | R | A | -0.8113 | |
| 309 | H | A | -0.6493 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | T | A | -0.1301 | |
| 313 | S | A | -0.1937 | |
| 314 | F | A | 0.1627 | |
| 315 | L | A | 0.0000 | |
| 316 | S | A | -0.2482 | |
| 317 | M | A | 0.4693 | |
| 318 | K | A | -0.5634 | |
| 319 | G | A | -0.8663 | |
| 320 | L | A | 0.0000 | |
| 321 | T | A | -1.0578 | |
| 322 | E | A | -1.8437 | |
| 323 | L | A | -0.8135 | |
| 324 | T | A | -0.4093 | |
| 325 | N | A | -0.6476 | |
| 326 | V | A | -0.0132 | |
| 327 | V | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | N | A | 0.0550 | |
| 330 | W | A | -0.0771 | |
| 331 | S | A | -1.1141 | |
| 332 | D | A | -2.5852 | |
| 333 | K | A | -2.5634 | |
| 341 | T | A | -0.0408 | |
| 342 | T | A | 0.0265 | |
| 343 | Y | A | 0.7812 | |
| 344 | T | A | -0.2253 | |
| 345 | H | A | -1.1631 | |
| 346 | Q | A | -1.3526 | |
| 347 | I | A | -0.1417 | |
| 348 | T | A | -0.1138 | |
| 349 | A | A | 0.0734 | |
| 350 | I | A | 0.1163 | |
| 351 | P | A | -0.3013 | |
| 352 | D | A | -1.2241 | |
| 353 | H | A | -1.2263 | |
| 354 | Y | A | 0.0000 | |
| 355 | F | A | 0.0000 | |
| 356 | A | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | S | A | 0.0000 | |
| 360 | R | A | -1.3134 | |
| 361 | Y | A | -0.6913 | |
| 362 | Y | A | 0.0000 | |
| 363 | A | A | 0.1771 | |
| 364 | Y | A | -0.6390 | |
| 365 | D | A | -0.7207 | |
| 366 | P | A | -0.6355 | |
| 367 | I | A | 0.8776 | |
| 368 | S | A | -0.6490 | |
| 369 | K | A | -2.0809 | |
| 370 | E | A | -2.1606 | |
| 371 | M | A | -0.4495 | |
| 372 | I | A | 0.9762 | |
| 373 | A | A | 0.4322 | |
| 374 | L | A | -0.3258 | |
| 375 | K | A | -1.9809 | |
| 376 | D | A | -2.3379 | |
| 377 | E | A | -2.5820 | |
| 378 | T | A | -1.6987 | |
| 379 | N | A | -1.4773 | |
| 380 | P | A | -1.1261 | |
| 381 | I | A | -0.9044 | |
| 382 | E | A | -1.9840 | |
| 383 | E | A | -2.6925 | |
| 384 | W | A | -1.9462 | |
| 385 | Q | A | -2.8240 | |
| 386 | H | A | -2.7534 | |
| 387 | I | A | -2.3402 | |
| 388 | E | A | -2.8072 | |
| 389 | Q | A | -2.3718 | |
| 390 | L | A | -0.6657 | |
| 391 | K | A | -1.8124 | |
| 392 | G | A | -1.4034 | |
| 393 | S | A | -1.3052 | |
| 394 | A | A | -1.2754 | |
| 395 | E | A | -1.4242 | |
| 396 | G | A | 0.0000 | |
| 397 | S | A | -0.7536 | |
| 398 | I | A | 0.9088 | |
| 399 | R | A | -0.4190 | |
| 400 | Y | A | 0.0000 | |
| 401 | P | A | -0.7835 | |
| 402 | A | A | -1.2647 | |
| 403 | W | A | 0.0000 | |
| 404 | N | A | -1.4789 | |
| 405 | G | A | -1.4426 | |
| 406 | I | A | -1.0847 | |
| 407 | I | A | 0.0000 | |
| 408 | S | A | -2.1949 | |
| 409 | Q | A | -2.8084 | |
| 410 | E | A | -2.6956 | |
| 411 | V | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | D | A | -1.5817 | |
| 414 | Y | A | -1.0425 | |
| 415 | L | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | S | A | -1.3466 | |
| 418 | Y | A | -1.1995 | |
| 419 | I | A | -1.2739 | |
| 420 | N | A | -2.5541 | |
| 421 | R | A | -3.4295 | |
| 422 | R | A | -3.0204 |
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