| Chain sequence(s) |
A: MKTLIAAYSGVLRGERQAEADRSQRSHGGPALSREGSGRWGTGSSILSALQDLFSVTWLNRSKVEKQLQVISVLQWVLSFLVLGVACSAILMYIFCTDCWLIAVLYFTWLVFDWNTPKKGGRRSQWVRNWAVWRYFRDYFPIQLVKTHNLLTTRNYIFGYHPHGIMGLGAFCNFSTEATEVSKKFPGIRPYLATLAGNFRMPVLREYLMSGGICPVSRDTIDYLLSKNGSGNAIIIVVGGAAESLSSMPGKNAVTLRNRKGFVKLALRHGADLVPIYSFGENEVYKQVIFEEGSWGRWVQKKFQKYIGFAPCIFHGRGLFSSDTWGLVPYSKPITTVVGEPITIPKLEHPTQQDIDLYHTMYMEALVKLFDKHKTKFGLPETEVLEVN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GL211A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -1.88056 kcal/mol |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] FoldX: Building mutant model (00:07:52)
[INFO] FoldX: Starting FoldX energy minimalization (00:08:05)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:44)
[INFO] Main: Simulation completed successfully. (00:11:48)
|
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 | 0.7560 | |
| 2 | K | A | -1.5283 | |
| 3 | T | A | -0.2473 | |
| 4 | L | A | 0.9529 | |
| 5 | I | A | 1.6523 | |
| 6 | A | A | 0.3302 | |
| 7 | A | A | 0.1070 | |
| 8 | Y | A | 0.3529 | |
| 9 | S | A | -0.0687 | |
| 10 | G | A | -0.2852 | |
| 11 | V | A | 0.7699 | |
| 12 | L | A | 0.3874 | |
| 13 | R | A | -1.8133 | |
| 14 | G | A | -0.8929 | |
| 15 | E | A | -1.2637 | |
| 16 | R | A | -2.2160 | |
| 17 | Q | A | -1.5268 | |
| 18 | A | A | -0.5216 | |
| 19 | E | A | -1.8091 | |
| 20 | A | A | -0.5397 | |
| 21 | D | A | -1.0446 | |
| 22 | R | A | -2.0114 | |
| 23 | S | A | -0.7609 | |
| 24 | Q | A | -1.5673 | |
| 25 | R | A | -2.0969 | |
| 26 | S | A | -0.7182 | |
| 27 | H | A | -1.1128 | |
| 28 | G | A | -0.7311 | |
| 29 | G | A | -0.5982 | |
| 30 | P | A | -0.3304 | |
| 31 | A | A | 0.2951 | |
| 32 | L | A | 1.5168 | |
| 33 | S | A | -0.2506 | |
| 34 | R | A | -2.2476 | |
| 35 | E | A | -2.2748 | |
| 36 | G | A | -0.8397 | |
| 37 | S | A | -0.3816 | |
| 38 | G | A | -0.8405 | |
| 39 | R | A | -1.7168 | |
| 40 | W | A | 0.7721 | |
| 41 | G | A | -0.2536 | |
| 42 | T | A | -0.1552 | |
| 43 | G | A | -0.3090 | |
| 44 | S | A | -0.2984 | |
| 45 | S | A | 0.0222 | |
| 46 | I | A | 1.7509 | |
| 47 | L | A | 1.7812 | |
| 48 | S | A | -0.0476 | |
| 49 | A | A | 0.1525 | |
| 50 | L | A | 0.5297 | |
| 51 | Q | A | -1.2163 | |
| 52 | D | A | -1.7244 | |
| 53 | L | A | 1.5619 | |
| 54 | F | A | 2.0283 | |
| 55 | S | A | 0.5392 | |
| 56 | V | A | 1.3697 | |
| 57 | T | A | 0.3682 | |
| 58 | W | A | 1.2353 | |
| 59 | L | A | 1.4261 | |
| 60 | N | A | -0.8484 | |
| 61 | R | A | -1.8669 | |
| 62 | S | A | -0.6930 | |
| 63 | K | A | -1.5240 | |
| 64 | V | A | 0.5489 | |
| 65 | E | A | -1.1196 | |
| 66 | K | A | -1.9936 | |
| 67 | Q | A | -0.8944 | |
| 68 | L | A | -0.0841 | |
| 69 | Q | A | -0.0916 | |
| 70 | V | A | 0.0000 | |
| 71 | I | A | 0.6845 | |
| 72 | S | A | 0.0000 | |
| 73 | V | A | 0.0000 | |
| 74 | L | A | 0.2746 | |
| 75 | Q | A | -0.4287 | |
| 76 | W | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | L | A | 0.6059 | |
| 79 | S | A | 0.0000 | |
| 80 | F | A | 0.7878 | |
| 81 | L | A | 1.0523 | |
| 82 | V | A | 1.1163 | |
| 83 | L | A | 0.5093 | |
| 84 | G | A | 0.0000 | |
| 85 | V | A | 1.7759 | |
| 86 | A | A | 0.3559 | |
| 87 | C | A | 0.2615 | |
| 88 | S | A | -0.0045 | |
| 89 | A | A | 0.3456 | |
| 90 | I | A | 1.8163 | |
| 91 | L | A | 0.0000 | |
| 92 | M | A | 0.9047 | |
| 93 | Y | A | 1.6707 | |
| 94 | I | A | 0.6946 | |
| 95 | F | A | 0.9807 | |
| 96 | C | A | 0.8442 | |
| 97 | T | A | -0.2079 | |
| 98 | D | A | -1.6912 | |
| 99 | C | A | 0.4158 | |
| 100 | W | A | 1.3169 | |
| 101 | L | A | 1.4049 | |
| 102 | I | A | 2.1570 | |
| 103 | A | A | 0.0000 | |
| 104 | V | A | 1.0811 | |
| 105 | L | A | 1.7007 | |
| 106 | Y | A | 0.7243 | |
| 107 | F | A | 1.0355 | |
| 108 | T | A | 0.1892 | |
| 109 | W | A | 0.5049 | |
| 110 | L | A | 0.0000 | |
| 111 | V | A | 2.1233 | |
| 112 | F | A | 2.2612 | |
| 113 | D | A | 0.0000 | |
| 114 | W | A | 0.9577 | |
| 115 | N | A | -1.0614 | |
| 116 | T | A | -0.2385 | |
| 117 | P | A | 0.0000 | |
| 118 | K | A | -0.7139 | |
| 119 | K | A | -1.6656 | |
| 120 | G | A | 0.0000 | |
| 121 | G | A | -0.2387 | |
| 122 | R | A | -0.9892 | |
| 123 | R | A | -1.0992 | |
| 124 | S | A | -0.4405 | |
| 125 | Q | A | -0.9908 | |
| 126 | W | A | 0.9686 | |
| 127 | V | A | 0.0000 | |
| 128 | R | A | 0.0000 | |
| 129 | N | A | -1.2043 | |
| 130 | W | A | 0.1578 | |
| 131 | A | A | 0.1317 | |
| 132 | V | A | 0.2647 | |
| 133 | W | A | 0.0000 | |
| 134 | R | A | -0.9625 | |
| 135 | Y | A | -0.0353 | |
| 136 | F | A | 0.0000 | |
| 137 | R | A | -0.4817 | |
| 138 | D | A | -0.7194 | |
| 139 | Y | A | 0.0000 | |
| 140 | F | A | 0.0000 | |
| 141 | P | A | -0.2933 | |
| 142 | I | A | 0.0000 | |
| 143 | Q | A | -1.1991 | |
| 144 | L | A | 0.0000 | |
| 145 | V | A | 0.3446 | |
| 146 | K | A | -0.5237 | |
| 147 | T | A | -0.2082 | |
| 148 | H | A | -0.6572 | |
| 149 | N | A | -1.3207 | |
| 150 | L | A | 0.2121 | |
| 151 | L | A | 1.5671 | |
| 152 | T | A | 0.2117 | |
| 153 | T | A | -0.1815 | |
| 154 | R | A | -0.6048 | |
| 155 | N | A | -0.2507 | |
| 156 | Y | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | F | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | Y | A | 0.0000 | |
| 161 | H | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | H | A | -0.1471 | |
| 164 | G | A | 0.0000 | |
| 165 | I | A | 0.2076 | |
| 166 | M | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | A | A | 0.0000 | |
| 171 | F | A | 0.0000 | |
| 172 | C | A | 0.0000 | |
| 173 | N | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | E | A | -0.3106 | |
| 178 | A | A | 0.0000 | |
| 179 | T | A | 0.0000 | |
| 180 | E | A | -0.9768 | |
| 181 | V | A | 0.0000 | |
| 182 | S | A | -0.4321 | |
| 183 | K | A | -1.8251 | |
| 184 | K | A | -0.8730 | |
| 185 | F | A | 0.0000 | |
| 186 | P | A | -0.3395 | |
| 187 | G | A | -0.5126 | |
| 188 | I | A | 0.0000 | |
| 189 | R | A | -0.4356 | |
| 190 | P | A | -0.1031 | |
| 191 | Y | A | 0.0000 | |
| 192 | L | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | T | A | 0.0682 | |
| 195 | L | A | 0.4639 | |
| 196 | A | A | 0.0695 | |
| 197 | G | A | -0.2459 | |
| 198 | N | A | -0.2428 | |
| 199 | F | A | 0.0000 | |
| 200 | R | A | -1.7858 | |
| 201 | M | A | -0.0137 | |
| 202 | P | A | 0.0000 | |
| 203 | V | A | 0.9195 | |
| 204 | L | A | 0.0000 | |
| 205 | R | A | 0.0000 | |
| 206 | E | A | -0.2496 | |
| 207 | Y | A | 0.0928 | |
| 208 | L | A | 0.0000 | |
| 209 | M | A | 0.0000 | |
| 210 | S | A | -0.1585 | |
| 211 | L | A | 0.0000 | mutated: GL211A |
| 212 | G | A | 0.0000 | |
| 213 | I | A | 0.0000 | |
| 214 | C | A | 0.0000 | |
| 215 | P | A | 0.0000 | |
| 216 | V | A | 0.8175 | |
| 217 | S | A | -0.2239 | |
| 218 | R | A | -2.1703 | |
| 219 | D | A | -2.1187 | |
| 220 | T | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | D | A | -0.3150 | |
| 223 | Y | A | 0.2262 | |
| 224 | L | A | 0.0000 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -0.4286 | |
| 227 | K | A | -1.7736 | |
| 228 | N | A | -0.6736 | |
| 229 | G | A | -0.5404 | |
| 230 | S | A | -0.2150 | |
| 231 | G | A | 0.0000 | |
| 232 | N | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | I | A | 0.0000 | |
| 236 | I | A | 0.0000 | |
| 237 | V | A | 0.2061 | |
| 238 | V | A | 0.0000 | |
| 239 | G | A | 0.0000 | |
| 240 | G | A | -0.0650 | |
| 241 | A | A | 0.0061 | |
| 242 | A | A | 0.0495 | |
| 243 | E | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -0.1000 | |
| 247 | S | A | 0.0000 | |
| 248 | M | A | 0.2489 | |
| 249 | P | A | -0.1218 | |
| 250 | G | A | -0.5572 | |
| 251 | K | A | -1.3415 | |
| 252 | N | A | -0.3720 | |
| 253 | A | A | -0.2474 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -0.1529 | |
| 256 | L | A | 0.0000 | |
| 257 | R | A | -2.0746 | |
| 258 | N | A | -1.8278 | |
| 259 | R | A | -1.5599 | |
| 260 | K | A | -0.7635 | |
| 261 | G | A | -0.5478 | |
| 262 | F | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | K | A | -0.7295 | |
| 265 | L | A | 0.0866 | |
| 266 | A | A | 0.0000 | |
| 267 | L | A | 0.0000 | |
| 268 | R | A | -0.7463 | |
| 269 | H | A | -0.2548 | |
| 270 | G | A | -0.4202 | |
| 271 | A | A | 0.0000 | |
| 272 | D | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | V | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | Y | A | 0.0000 | |
| 278 | S | A | 0.0000 | |
| 279 | F | A | 0.0000 | |
| 280 | G | A | -0.1107 | |
| 281 | E | A | 0.0000 | |
| 282 | N | A | -0.2157 | |
| 283 | E | A | -0.5256 | |
| 284 | V | A | 0.0000 | |
| 285 | Y | A | 0.0000 | |
| 286 | K | A | -1.1156 | |
| 287 | Q | A | -0.0208 | |
| 288 | V | A | 1.5555 | |
| 289 | I | A | 0.9385 | |
| 290 | F | A | 0.1516 | |
| 291 | E | A | -2.0847 | |
| 292 | E | A | -2.2364 | |
| 293 | G | A | -0.8038 | |
| 294 | S | A | 0.0779 | |
| 295 | W | A | 1.1661 | |
| 296 | G | A | 0.1192 | |
| 297 | R | A | 0.0131 | |
| 298 | W | A | 1.1842 | |
| 299 | V | A | 0.7679 | |
| 300 | Q | A | 0.0000 | |
| 301 | K | A | -1.5826 | |
| 302 | K | A | -0.8243 | |
| 303 | F | A | 0.8744 | |
| 304 | Q | A | -0.4638 | |
| 305 | K | A | -1.5235 | |
| 306 | Y | A | 1.2741 | |
| 307 | I | A | 1.6812 | |
| 308 | G | A | 0.2117 | |
| 309 | F | A | 0.7630 | |
| 310 | A | A | 0.1424 | |
| 311 | P | A | -0.0512 | |
| 312 | C | A | 0.3527 | |
| 313 | I | A | 1.5832 | |
| 314 | F | A | 0.4208 | |
| 315 | H | A | -0.2595 | |
| 316 | G | A | 0.0000 | |
| 317 | R | A | -0.1097 | |
| 318 | G | A | -0.0319 | |
| 319 | L | A | 0.7128 | |
| 320 | F | A | 1.9913 | |
| 321 | S | A | 0.2146 | |
| 322 | S | A | -0.5585 | |
| 323 | D | A | -1.8374 | |
| 324 | T | A | -0.1618 | |
| 325 | W | A | 1.1466 | |
| 326 | G | A | 0.2178 | |
| 327 | L | A | 0.4605 | |
| 328 | V | A | 0.0000 | |
| 329 | P | A | 0.0000 | |
| 330 | Y | A | 0.2127 | |
| 331 | S | A | -0.2664 | |
| 332 | K | A | -0.6761 | |
| 333 | P | A | -0.3614 | |
| 334 | I | A | 0.0000 | |
| 335 | T | A | -0.1496 | |
| 336 | T | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | G | A | 0.0000 | |
| 340 | E | A | -1.8283 | |
| 341 | P | A | -0.3360 | |
| 342 | I | A | 0.1861 | |
| 343 | T | A | -0.0329 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | -0.4375 | |
| 346 | K | A | -1.6523 | |
| 347 | L | A | -0.1621 | |
| 348 | E | A | -1.9706 | |
| 349 | H | A | -1.3174 | |
| 350 | P | A | 0.0000 | |
| 351 | T | A | -0.2884 | |
| 352 | Q | A | -1.4259 | |
| 353 | Q | A | -1.4773 | |
| 354 | D | A | -0.5729 | |
| 355 | I | A | 0.0000 | |
| 356 | D | A | -0.3333 | |
| 357 | L | A | 0.8863 | |
| 358 | Y | A | 0.3723 | |
| 359 | H | A | 0.0000 | |
| 360 | T | A | 0.0175 | |
| 361 | M | A | 0.4060 | |
| 362 | Y | A | 0.0000 | |
| 363 | M | A | -0.1018 | |
| 364 | E | A | -1.4837 | |
| 365 | A | A | -0.2634 | |
| 366 | L | A | 0.0000 | |
| 367 | V | A | 0.2104 | |
| 368 | K | A | -1.6074 | |
| 369 | L | A | 0.0000 | |
| 370 | F | A | 0.0000 | |
| 371 | D | A | -2.0417 | |
| 372 | K | A | -2.0136 | |
| 373 | H | A | 0.0000 | |
| 374 | K | A | 0.0000 | |
| 375 | T | A | -0.3457 | |
| 376 | K | A | -1.6278 | |
| 377 | F | A | 0.0801 | |
| 378 | G | A | -0.3239 | |
| 379 | L | A | 0.1916 | |
| 380 | P | A | -0.4638 | |
| 381 | E | A | -1.8673 | |
| 382 | T | A | -0.4607 | |
| 383 | E | A | -0.0478 | |
| 384 | V | A | 1.7082 | |
| 385 | L | A | 0.0000 | |
| 386 | E | A | -1.7856 | |
| 387 | V | A | -0.3787 | |
| 388 | N | A | -1.2424 |
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