| 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 |
| Mutated residues | VD73A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.484847 kcal/mol |
| 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] FoldX: Building mutant model (00:10:46)
[INFO] FoldX: Starting FoldX energy minimalization (00:10:53)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:15:18)
[INFO] Main: Simulation completed successfully. (00:15:21)
|
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 | -0.2780 | |
| 3 | Q | A | -0.2513 | |
| 4 | F | A | 0.0000 | |
| 5 | D | A | -0.4398 | |
| 6 | I | A | 0.8509 | |
| 7 | L | A | 0.0000 | |
| 8 | C | A | -0.8581 | |
| 9 | K | A | -1.3665 | |
| 10 | T | A | -0.5393 | |
| 11 | P | A | -0.8012 | |
| 12 | P | A | -1.1197 | |
| 13 | K | A | -1.7863 | |
| 14 | V | A | -0.5979 | |
| 15 | L | A | 0.0000 | |
| 16 | V | A | -1.0798 | |
| 17 | R | A | -2.5083 | |
| 18 | Q | A | -2.0545 | |
| 19 | F | A | 0.0000 | |
| 20 | V | A | -1.7458 | |
| 21 | E | A | -3.3373 | |
| 22 | R | A | 0.0000 | |
| 23 | F | A | 0.0000 | |
| 24 | E | A | -3.2499 | |
| 25 | R | A | -3.3017 | |
| 26 | P | A | -2.4059 | |
| 27 | S | A | -1.6703 | |
| 28 | G | A | -1.2080 | |
| 29 | E | A | -2.0005 | |
| 30 | K | A | -1.6626 | |
| 31 | I | A | 0.0000 | |
| 32 | A | A | 0.1796 | |
| 33 | L | A | 1.0541 | |
| 34 | C | A | 0.0000 | |
| 35 | A | A | 0.3798 | |
| 36 | A | A | 0.2490 | |
| 37 | E | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | T | A | 0.0000 | |
| 40 | Y | A | 0.4064 | |
| 41 | L | A | 0.4641 | |
| 42 | C | A | 0.0000 | |
| 43 | W | A | 0.0148 | |
| 44 | M | A | -0.1147 | |
| 45 | I | A | 0.3909 | |
| 46 | T | A | -0.2697 | |
| 47 | H | A | -0.8867 | |
| 48 | N | A | -1.4440 | |
| 49 | G | A | -1.0258 | |
| 50 | T | A | -0.7592 | |
| 51 | A | A | -1.0863 | |
| 52 | I | A | 0.0000 | |
| 53 | K | A | -1.3073 | |
| 54 | R | A | -0.9935 | |
| 55 | A | A | -0.4162 | |
| 56 | T | A | -0.3904 | |
| 57 | F | A | 0.0000 | |
| 58 | M | A | 0.0549 | |
| 59 | S | A | 0.1299 | |
| 60 | Y | A | 0.0218 | |
| 61 | N | A | -0.1911 | |
| 62 | T | A | -0.3644 | |
| 63 | I | A | -0.2963 | |
| 64 | I | A | 0.0000 | |
| 65 | S | A | -0.6164 | |
| 66 | N | A | -1.4006 | |
| 67 | S | A | -0.6405 | |
| 68 | L | A | -0.1850 | |
| 69 | S | A | -0.3230 | |
| 70 | F | A | -0.5094 | |
| 71 | D | A | -1.5318 | |
| 72 | I | A | -1.4607 | |
| 73 | D | A | -2.5304 | mutated: VD73A |
| 74 | N | A | -2.6832 | |
| 75 | K | A | -2.1580 | |
| 76 | S | A | -1.8031 | |
| 77 | L | A | 0.0000 | |
| 78 | Q | A | -0.8554 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -0.4626 | |
| 81 | Y | A | 0.0000 | |
| 82 | K | A | -1.1315 | |
| 83 | T | A | -1.2906 | |
| 84 | Q | A | -1.7849 | |
| 85 | K | A | -1.2319 | |
| 86 | A | A | -0.4197 | |
| 87 | T | A | 0.3419 | |
| 88 | I | A | 1.4996 | |
| 89 | L | A | 0.0000 | |
| 90 | E | A | -0.6545 | |
| 91 | A | A | -0.3556 | |
| 92 | S | A | -0.1619 | |
| 93 | L | A | 0.0000 | |
| 94 | K | A | -1.9883 | |
| 95 | K | A | -1.9084 | |
| 96 | L | A | -0.4492 | |
| 97 | I | A | 0.0000 | |
| 98 | P | A | -1.1970 | |
| 99 | A | A | -1.0338 | |
| 100 | W | A | 0.0000 | |
| 101 | E | A | -2.4459 | |
| 102 | F | A | 0.0000 | |
| 103 | T | A | -0.8457 | |
| 104 | I | A | 0.0000 | |
| 105 | I | A | 0.3218 | |
| 106 | P | A | 0.1753 | |
| 107 | Y | A | 1.1137 | |
| 108 | Y | A | 1.4974 | |
| 114 | S | A | -0.7502 | |
| 115 | D | A | -1.0852 | |
| 116 | I | A | 1.2174 | |
| 117 | T | A | 0.3324 | |
| 118 | D | A | -1.0196 | |
| 119 | I | A | 1.0604 | |
| 120 | V | A | 1.8016 | |
| 121 | S | A | 0.8583 | |
| 122 | S | A | 0.8113 | |
| 123 | L | A | 1.2708 | |
| 124 | Q | A | 0.6664 | |
| 125 | L | A | 1.1646 | |
| 126 | Q | A | 0.0488 | |
| 127 | F | A | 0.8322 | |
| 128 | E | A | -0.9650 | |
| 129 | S | A | -0.6638 | |
| 135 | K | A | -2.7907 | |
| 136 | G | A | -2.9133 | |
| 137 | N | A | -3.4216 | |
| 138 | S | A | -2.8772 | |
| 139 | H | A | -2.8628 | |
| 140 | S | A | -3.2095 | |
| 141 | K | A | -3.7308 | |
| 142 | K | A | -3.4352 | |
| 143 | M | A | -1.9787 | |
| 144 | L | A | -1.8497 | |
| 145 | K | A | -2.7724 | |
| 146 | A | A | -1.8468 | |
| 147 | L | A | -1.1972 | |
| 148 | L | A | -0.9871 | |
| 149 | S | A | -1.5764 | |
| 150 | E | A | -2.4383 | |
| 151 | G | A | -1.8113 | |
| 152 | E | A | -1.7503 | |
| 153 | S | A | -1.2459 | |
| 154 | I | A | 0.0000 | |
| 155 | W | A | -1.1018 | |
| 156 | E | A | -2.1740 | |
| 157 | I | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | E | A | -1.8948 | |
| 160 | K | A | -1.8782 | |
| 161 | I | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | N | A | -1.6033 | |
| 164 | S | A | -1.2076 | |
| 165 | F | A | 0.0000 | |
| 166 | E | A | -0.8205 | |
| 167 | Y | A | 0.5130 | |
| 168 | T | A | -0.3186 | |
| 169 | S | A | -0.6479 | |
| 170 | R | A | -1.0687 | |
| 171 | F | A | 0.4940 | |
| 172 | T | A | -0.6766 | |
| 173 | K | A | -1.9309 | |
| 174 | T | A | -0.9670 | |
| 175 | K | A | -1.1314 | |
| 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 | -1.2119 | |
| 192 | F | A | 0.0000 | |
| 193 | S | A | -0.8139 | |
| 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 | -0.8162 | |
| 200 | P | A | 0.0000 | |
| 201 | K | A | -1.8109 | |
| 202 | S | A | -1.1249 | |
| 203 | F | A | 0.0000 | |
| 204 | K | A | -2.2224 | |
| 205 | L | A | -0.9967 | |
| 206 | V | A | -0.5757 | |
| 207 | Q | A | -1.5934 | |
| 208 | N | A | 0.0000 | |
| 209 | K | A | -1.9837 | |
| 210 | Y | A | -0.8827 | |
| 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 | -0.6666 | |
| 217 | C | A | 0.0000 | |
| 218 | L | A | -0.1236 | |
| 219 | V | A | 0.0000 | |
| 220 | T | A | -0.1944 | |
| 221 | E | A | -0.6297 | |
| 222 | T | A | 0.0000 | |
| 223 | K | A | -1.7706 | |
| 224 | T | A | -0.6323 | |
| 225 | S | A | -0.2946 | |
| 226 | V | A | 0.7738 | |
| 227 | S | A | 0.0549 | |
| 228 | R | A | 0.0000 | |
| 229 | H | A | 0.0517 | |
| 230 | I | A | 0.0000 | |
| 231 | Y | A | 0.0000 | |
| 232 | F | A | 0.0000 | |
| 233 | F | A | 0.0000 | |
| 234 | S | A | -0.3477 | |
| 235 | A | A | 0.0000 | |
| 236 | R | A | -2.2345 | |
| 237 | G | A | -2.0907 | |
| 238 | R | A | -2.2912 | |
| 239 | I | A | 0.0000 | |
| 240 | D | A | 0.0000 | |
| 241 | P | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | V | A | 0.2529 | |
| 244 | Y | A | -0.0521 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | -1.0395 | |
| 247 | E | A | -2.2419 | |
| 248 | F | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | R | A | -3.1104 | |
| 251 | N | A | -2.5342 | |
| 252 | S | A | 0.0000 | |
| 253 | E | A | -2.0749 | |
| 254 | P | A | -0.7375 | |
| 255 | V | A | 0.0000 | |
| 256 | L | A | 0.7720 | |
| 257 | K | A | -0.5792 | |
| 258 | R | A | -0.8245 | |
| 259 | V | A | -0.0280 | |
| 260 | N | A | -0.9677 | |
| 261 | R | A | -1.8447 | |
| 262 | T | A | -1.5008 | |
| 263 | G | A | -1.5242 | |
| 264 | N | A | -2.0011 | |
| 265 | S | A | -1.4969 | |
| 266 | S | A | -1.2998 | |
| 267 | S | A | -1.7619 | |
| 268 | N | A | -2.7254 | |
| 269 | K | A | -2.8706 | |
| 270 | Q | A | -2.0912 | |
| 271 | E | A | -2.0995 | |
| 272 | Y | A | -0.5480 | |
| 273 | Q | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -1.3620 | |
| 277 | D | A | -2.1816 | |
| 278 | N | A | -2.3636 | |
| 279 | L | A | 0.0000 | |
| 280 | V | A | -1.6281 | |
| 281 | R | A | -2.7204 | |
| 282 | S | A | -1.8856 | |
| 283 | Y | A | 0.0000 | |
| 284 | N | A | -2.2685 | |
| 285 | K | A | -2.9947 | |
| 286 | A | A | -2.1733 | |
| 287 | L | A | 0.0000 | |
| 288 | K | A | -2.8702 | |
| 289 | K | A | -2.8897 | |
| 290 | N | A | -1.9356 | |
| 291 | A | A | -1.2676 | |
| 292 | P | A | -0.8811 | |
| 293 | Y | A | -0.2140 | |
| 294 | S | A | -0.1339 | |
| 295 | I | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | A | A | -1.1481 | |
| 298 | I | A | -1.4736 | |
| 299 | K | A | -2.5823 | |
| 300 | N | A | -2.3710 | |
| 301 | G | A | -1.9430 | |
| 302 | P | A | -1.0829 | |
| 303 | K | A | -1.1962 | |
| 304 | S | A | 0.0000 | |
| 305 | H | A | -0.9495 | |
| 306 | I | A | 0.0000 | |
| 307 | G | A | 0.0000 | |
| 308 | R | A | -0.8094 | |
| 309 | H | A | -0.6425 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | T | A | -0.1444 | |
| 313 | S | A | -0.1912 | |
| 314 | F | A | 0.1626 | |
| 315 | L | A | 0.0000 | |
| 316 | S | A | -0.2651 | |
| 317 | M | A | 0.4676 | |
| 318 | K | A | -0.5675 | |
| 319 | G | A | -0.8839 | |
| 320 | L | A | 0.0000 | |
| 321 | T | A | -1.1095 | |
| 322 | E | A | -1.9191 | |
| 323 | L | A | 0.0000 | |
| 324 | T | A | -0.4881 | |
| 325 | N | A | -0.7013 | |
| 326 | V | A | -0.0683 | |
| 327 | V | A | 0.0000 | |
| 328 | G | A | 0.0000 | |
| 329 | N | A | 0.0337 | |
| 330 | W | A | -0.0871 | |
| 331 | S | A | -1.1194 | |
| 332 | D | A | -2.5893 | |
| 333 | K | A | -2.5640 | |
| 341 | T | A | -0.0408 | |
| 342 | T | A | 0.0265 | |
| 343 | Y | A | 0.7812 | |
| 344 | T | A | -0.2253 | |
| 345 | H | A | -1.1647 | |
| 346 | Q | A | -1.3560 | |
| 347 | I | A | -0.1490 | |
| 348 | T | A | -0.1179 | |
| 349 | A | A | 0.0726 | |
| 350 | I | A | 0.0915 | |
| 351 | P | A | -0.3193 | |
| 352 | D | A | -1.2081 | |
| 353 | H | A | -1.2315 | |
| 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 | -1.2990 | |
| 361 | Y | A | -0.6701 | |
| 362 | Y | A | 0.0000 | |
| 363 | A | A | 0.2296 | |
| 364 | Y | A | -0.5808 | |
| 365 | D | A | -0.6303 | |
| 366 | P | A | -0.6037 | |
| 367 | I | A | 0.8971 | |
| 368 | S | A | -0.6193 | |
| 369 | K | A | -2.0463 | |
| 370 | E | A | -2.1128 | |
| 371 | M | A | -0.3801 | |
| 372 | I | A | 1.0941 | |
| 373 | A | A | 0.4692 | |
| 374 | L | A | -0.3400 | |
| 375 | K | A | -2.0140 | |
| 376 | D | A | -2.4175 | |
| 377 | E | A | -2.6319 | |
| 378 | T | A | -1.5921 | |
| 379 | N | A | -1.3048 | |
| 380 | P | A | -0.7673 | |
| 381 | I | A | -0.5191 | |
| 382 | E | A | -1.3677 | |
| 383 | E | A | -1.7059 | |
| 384 | W | A | -1.3976 | |
| 385 | Q | A | -2.1967 | |
| 386 | H | A | -1.8806 | |
| 387 | I | A | 0.0000 | |
| 388 | E | A | -2.6041 | |
| 389 | Q | A | -2.1559 | |
| 390 | L | A | -0.5967 | |
| 391 | K | A | -1.8455 | |
| 392 | G | A | -1.4048 | |
| 393 | S | A | -1.3079 | |
| 394 | A | A | -1.2767 | |
| 395 | E | A | -1.4261 | |
| 396 | G | A | 0.0000 | |
| 397 | S | A | -0.7532 | |
| 398 | I | A | 0.9067 | |
| 399 | R | A | -0.4249 | |
| 400 | Y | A | 0.0000 | |
| 401 | P | A | -0.7869 | |
| 402 | A | A | -1.2677 | |
| 403 | W | A | 0.0000 | |
| 404 | N | A | -1.4870 | |
| 405 | G | A | -1.4141 | |
| 406 | I | A | -1.0128 | |
| 407 | I | A | 0.0000 | |
| 408 | S | A | -2.1398 | |
| 409 | Q | A | -2.8117 | |
| 410 | E | A | -2.6965 | |
| 411 | V | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | D | A | -1.5800 | |
| 414 | Y | A | -1.0756 | |
| 415 | L | A | 0.0000 | |
| 416 | S | A | 0.0000 | |
| 417 | S | A | -1.2326 | |
| 418 | Y | A | -0.9499 | |
| 419 | I | A | -1.0937 | |
| 420 | N | A | -2.2903 | |
| 421 | R | A | -2.7915 | |
| 422 | R | A | -2.7580 |
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