| Chain sequence(s) |
A: MYRDPEAASPGAPSRDVLLVSAIITVSLSVTVVLCGLCHWCQRKLGKRYKNSLETVGTPDSGRGRSEKKAIKLPAGGKAVNTAPVPGQTPHDESDRRTEPRSSVSDLVNSLTSEMLMLSPGSEEDEAHEGCSRENLGRIQFSVGYNFQESTLTVKIMKAQELPAKDFSGTSDPFVKIYLLPDKKHKLETKVKRKNLNPHWNETFLFEGFPYEKVVQRILYLQVLDYDRFSRNDPIGEVSIPLNKVDLTQMQTFWKDLKPCSDGSGSRGELLLSLCYNPSANSIIVNIIKARNLKAMDIGGTSDPYVKVWLMYKDKRVEKKKTVTMKRNLNPIFNESFAFDIPTEKLRETTIIITVMDKDKLSRNDVIGKIYLSWKSGPGEVKHWKDMIARPRQPVAQWHQLKA
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 (00:07:05)
[INFO] Main: Simulation completed successfully. (00:07:07)
|
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 | 1.2929 | |
| 2 | Y | A | 0.4175 | |
| 3 | R | A | -1.8275 | |
| 4 | D | A | -2.9465 | |
| 5 | P | A | -2.4190 | |
| 6 | E | A | -2.3265 | |
| 7 | A | A | -0.9394 | |
| 8 | A | A | -0.5399 | |
| 9 | S | A | -0.5906 | |
| 10 | P | A | -0.5769 | |
| 11 | G | A | -0.6904 | |
| 12 | A | A | -0.3856 | |
| 13 | P | A | -0.5156 | |
| 14 | S | A | -0.9679 | |
| 15 | R | A | -1.5926 | |
| 16 | D | A | -0.9354 | |
| 17 | V | A | 1.6270 | |
| 18 | L | A | 1.6923 | |
| 19 | L | A | 2.1220 | |
| 20 | V | A | 3.5105 | |
| 21 | S | A | 2.6785 | |
| 22 | A | A | 3.1662 | |
| 23 | I | A | 4.6626 | |
| 24 | I | A | 4.2702 | |
| 25 | T | A | 3.1627 | |
| 26 | V | A | 4.0338 | |
| 27 | S | A | 3.4004 | |
| 28 | L | A | 3.9610 | |
| 29 | S | A | 3.5671 | |
| 30 | V | A | 3.9483 | |
| 31 | T | A | 3.4033 | |
| 32 | V | A | 4.2166 | |
| 33 | V | A | 4.3911 | |
| 34 | L | A | 3.9635 | |
| 35 | C | A | 2.6512 | |
| 36 | G | A | 2.2501 | |
| 37 | L | A | 2.5045 | |
| 38 | C | A | 1.0338 | |
| 39 | H | A | -0.6698 | |
| 40 | W | A | -0.0167 | |
| 41 | C | A | -0.4470 | |
| 42 | Q | A | -2.0311 | |
| 43 | R | A | -3.0419 | |
| 44 | K | A | -2.3113 | |
| 45 | L | A | -1.3983 | |
| 46 | G | A | -2.2544 | |
| 47 | K | A | -3.6739 | |
| 48 | R | A | -3.0701 | |
| 49 | Y | A | -0.8768 | |
| 50 | K | A | -2.5972 | |
| 51 | N | A | -2.7355 | |
| 52 | S | A | -1.3252 | |
| 53 | L | A | 0.1159 | |
| 54 | E | A | -1.3172 | |
| 55 | T | A | 0.1112 | |
| 56 | V | A | 1.2932 | |
| 57 | G | A | -0.1110 | |
| 58 | T | A | -0.4163 | |
| 59 | P | A | -1.1708 | |
| 60 | D | A | -2.1789 | |
| 61 | S | A | -1.7781 | |
| 62 | G | A | -2.1928 | |
| 63 | R | A | -2.8749 | |
| 64 | G | A | -2.6530 | |
| 65 | R | A | -3.4070 | |
| 66 | S | A | -3.0936 | |
| 67 | E | A | -3.5919 | |
| 68 | K | A | -3.2086 | |
| 69 | K | A | -1.9148 | |
| 70 | A | A | -1.1915 | |
| 71 | I | A | -1.0150 | |
| 72 | K | A | -1.8026 | |
| 73 | L | A | -0.9345 | |
| 74 | P | A | -0.7394 | |
| 75 | A | A | -0.8338 | |
| 76 | G | A | -1.0792 | |
| 77 | G | A | -1.3362 | |
| 78 | K | A | -1.6949 | |
| 79 | A | A | -0.4274 | |
| 80 | V | A | 0.6884 | |
| 81 | N | A | -0.6220 | |
| 82 | T | A | -0.1019 | |
| 83 | A | A | 0.1472 | |
| 84 | P | A | 0.4247 | |
| 85 | V | A | 1.4318 | |
| 86 | P | A | 0.0570 | |
| 87 | G | A | -0.8037 | |
| 88 | Q | A | -1.5726 | |
| 89 | T | A | -1.1216 | |
| 90 | P | A | -1.4062 | |
| 91 | H | A | -2.5180 | |
| 92 | D | A | -3.3166 | |
| 93 | E | A | -3.5899 | |
| 94 | S | A | -2.9193 | |
| 95 | D | A | -3.5579 | |
| 96 | R | A | -3.8674 | |
| 97 | R | A | -3.5216 | |
| 98 | T | A | -2.4207 | |
| 99 | E | A | -2.7983 | |
| 100 | P | A | -2.2412 | |
| 101 | R | A | -2.5317 | |
| 102 | S | A | -0.9271 | |
| 103 | S | A | 0.0672 | |
| 104 | V | A | 1.1733 | |
| 105 | S | A | 0.2677 | |
| 106 | D | A | -0.4211 | |
| 107 | L | A | 1.1259 | |
| 108 | V | A | 1.5324 | |
| 109 | N | A | 0.0045 | |
| 110 | S | A | 0.4363 | |
| 111 | L | A | 1.0471 | |
| 112 | T | A | -0.0767 | |
| 113 | S | A | -0.5942 | |
| 114 | E | A | -0.9277 | |
| 115 | M | A | 1.3162 | |
| 116 | L | A | 2.4939 | |
| 117 | M | A | 2.7844 | |
| 118 | L | A | 2.3785 | |
| 119 | S | A | 0.7603 | |
| 120 | P | A | -0.4706 | |
| 121 | G | A | -1.1396 | |
| 122 | S | A | -1.9723 | |
| 123 | E | A | -3.4827 | |
| 124 | E | A | -4.0570 | |
| 125 | D | A | -4.1215 | |
| 126 | E | A | -3.6994 | |
| 127 | A | A | -2.5614 | |
| 128 | H | A | -2.5517 | |
| 129 | E | A | -2.5480 | |
| 130 | G | A | -1.6141 | |
| 131 | C | A | -0.9467 | |
| 132 | S | A | -1.8042 | |
| 133 | R | A | -3.2080 | |
| 134 | E | A | -3.5258 | |
| 135 | N | A | -3.6589 | |
| 136 | L | A | 0.0000 | |
| 137 | G | A | 0.0000 | |
| 138 | R | A | -3.0539 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -0.7602 | |
| 141 | F | A | 0.0000 | |
| 142 | S | A | 0.0000 | |
| 143 | V | A | 0.0000 | |
| 144 | G | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | -0.9070 | |
| 147 | F | A | 0.2610 | |
| 148 | Q | A | -1.4673 | |
| 149 | E | A | -2.3342 | |
| 150 | S | A | -1.1166 | |
| 151 | T | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | T | A | -0.2485 | |
| 154 | V | A | 0.0000 | |
| 155 | K | A | -1.0094 | |
| 156 | I | A | 0.0000 | |
| 157 | M | A | -0.8989 | |
| 158 | K | A | -1.3381 | |
| 159 | A | A | 0.0000 | |
| 160 | Q | A | -2.3332 | |
| 161 | E | A | -2.8875 | |
| 162 | L | A | 0.0000 | |
| 163 | P | A | -1.3782 | |
| 164 | A | A | -0.7346 | |
| 165 | K | A | -0.9678 | |
| 166 | D | A | -0.3825 | |
| 167 | F | A | 1.3683 | |
| 168 | S | A | 0.0648 | |
| 169 | G | A | -0.4307 | |
| 170 | T | A | -1.1036 | |
| 171 | S | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | P | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | K | A | -1.2825 | |
| 177 | I | A | 0.0000 | |
| 178 | Y | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | L | A | -0.8490 | |
| 181 | P | A | -1.0190 | |
| 182 | D | A | -1.9813 | |
| 183 | K | A | -2.7512 | |
| 184 | K | A | -2.9880 | |
| 185 | H | A | -2.1810 | |
| 186 | K | A | -2.5624 | |
| 187 | L | A | -1.4566 | |
| 188 | E | A | -2.0471 | |
| 189 | T | A | 0.0000 | |
| 190 | K | A | -2.4703 | |
| 191 | V | A | -1.6228 | |
| 192 | K | A | -2.3611 | |
| 193 | R | A | -3.0573 | |
| 194 | K | A | -3.1258 | |
| 195 | N | A | -2.5563 | |
| 196 | L | A | -1.9198 | |
| 197 | N | A | -2.3504 | |
| 198 | P | A | 0.0000 | |
| 199 | H | A | -1.7041 | |
| 200 | W | A | 0.0000 | |
| 201 | N | A | -2.0963 | |
| 202 | E | A | -2.3114 | |
| 203 | T | A | 0.0000 | |
| 204 | F | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | F | A | 0.0000 | |
| 207 | E | A | -1.7428 | |
| 208 | G | A | -1.3207 | |
| 209 | F | A | 0.0000 | |
| 210 | P | A | -0.9631 | |
| 211 | Y | A | -0.8885 | |
| 212 | E | A | -2.5230 | |
| 213 | K | A | -2.3772 | |
| 214 | V | A | 0.0000 | |
| 215 | V | A | -1.8942 | |
| 216 | Q | A | -2.0367 | |
| 217 | R | A | -1.1042 | |
| 218 | I | A | -0.0162 | |
| 219 | L | A | 0.0000 | |
| 220 | Y | A | 0.0000 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -0.5949 | |
| 223 | V | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | D | A | 0.0000 | |
| 226 | Y | A | -1.1582 | |
| 227 | D | A | -1.5403 | |
| 228 | R | A | -1.4008 | |
| 229 | F | A | 0.4562 | |
| 230 | S | A | -1.0242 | |
| 231 | R | A | -2.3355 | |
| 232 | N | A | -1.8978 | |
| 233 | D | A | -2.0631 | |
| 234 | P | A | -1.1048 | |
| 235 | I | A | 0.0000 | |
| 236 | G | A | 0.0000 | |
| 237 | E | A | 0.0000 | |
| 238 | V | A | 0.0000 | |
| 239 | S | A | -0.1249 | |
| 240 | I | A | -0.2232 | |
| 241 | P | A | -0.7817 | |
| 242 | L | A | 0.0000 | |
| 243 | N | A | -2.6181 | |
| 244 | K | A | -2.4036 | |
| 245 | V | A | 0.0000 | |
| 246 | D | A | -1.9913 | |
| 247 | L | A | 0.0000 | |
| 248 | T | A | -0.7473 | |
| 249 | Q | A | -1.3717 | |
| 250 | M | A | -0.4159 | |
| 251 | Q | A | -0.5460 | |
| 252 | T | A | -0.0182 | |
| 253 | F | A | 0.1856 | |
| 254 | W | A | -0.2451 | |
| 255 | K | A | -1.5195 | |
| 256 | D | A | -3.2044 | |
| 257 | L | A | 0.0000 | |
| 258 | K | A | -3.1039 | |
| 259 | P | A | -2.1783 | |
| 260 | C | A | -1.3096 | |
| 261 | S | A | -1.5534 | |
| 262 | D | A | -2.2792 | |
| 263 | G | A | -1.7068 | |
| 264 | S | A | -1.5631 | |
| 265 | G | A | -1.4646 | |
| 266 | S | A | -1.7416 | |
| 267 | R | A | -1.6987 | |
| 268 | G | A | 0.0000 | |
| 269 | E | A | -1.5405 | |
| 270 | L | A | 0.0000 | |
| 271 | L | A | -0.1835 | |
| 272 | L | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | C | A | -1.2000 | |
| 276 | Y | A | 0.0000 | |
| 277 | N | A | -1.6989 | |
| 278 | P | A | -0.8301 | |
| 279 | S | A | -0.7469 | |
| 280 | A | A | -0.9429 | |
| 281 | N | A | -1.5626 | |
| 282 | S | A | -1.2098 | |
| 283 | I | A | 0.0000 | |
| 284 | I | A | -0.0100 | |
| 285 | V | A | 0.0000 | |
| 286 | N | A | -0.5032 | |
| 287 | I | A | 0.0000 | |
| 288 | I | A | -0.2453 | |
| 289 | K | A | -0.5269 | |
| 290 | A | A | 0.0000 | |
| 291 | R | A | -2.0650 | |
| 292 | N | A | -2.3284 | |
| 293 | L | A | 0.0000 | |
| 294 | K | A | -1.7438 | |
| 295 | A | A | -1.0684 | |
| 296 | M | A | -0.8112 | |
| 297 | D | A | -1.4686 | |
| 298 | I | A | 0.9998 | |
| 299 | G | A | -0.4174 | |
| 300 | G | A | -0.8264 | |
| 301 | T | A | -1.4427 | |
| 302 | S | A | 0.0000 | |
| 303 | D | A | 0.0000 | |
| 304 | P | A | 0.0000 | |
| 305 | Y | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | K | A | -1.0575 | |
| 308 | V | A | 0.0000 | |
| 309 | W | A | -1.0385 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | -1.8506 | |
| 312 | Y | A | -2.4095 | |
| 313 | K | A | -3.7035 | |
| 314 | D | A | -3.6570 | |
| 315 | K | A | -3.4348 | |
| 316 | R | A | -2.7584 | |
| 317 | V | A | -0.8820 | |
| 318 | E | A | -2.0509 | |
| 319 | K | A | -2.4871 | |
| 320 | K | A | -2.1184 | |
| 321 | K | A | -1.4748 | |
| 322 | T | A | 0.0000 | |
| 323 | V | A | 1.2964 | |
| 324 | T | A | -0.0820 | |
| 325 | M | A | -0.7396 | |
| 326 | K | A | -2.5333 | |
| 327 | R | A | -3.3330 | |
| 328 | N | A | -2.1839 | |
| 329 | L | A | -1.7628 | |
| 330 | N | A | -2.0381 | |
| 331 | P | A | 0.0000 | |
| 332 | I | A | 0.4643 | |
| 333 | F | A | 0.0000 | |
| 334 | N | A | -1.1372 | |
| 335 | E | A | -0.8356 | |
| 336 | S | A | -0.7533 | |
| 337 | F | A | 0.0000 | |
| 338 | A | A | -0.2564 | |
| 339 | F | A | 0.0000 | |
| 340 | D | A | -2.0554 | |
| 341 | I | A | 0.0000 | |
| 342 | P | A | -1.5482 | |
| 343 | T | A | -1.8977 | |
| 344 | E | A | -2.8628 | |
| 345 | K | A | -2.8490 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | -3.3394 | |
| 348 | E | A | -3.4905 | |
| 349 | T | A | 0.0000 | |
| 350 | T | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | I | A | 0.0000 | |
| 353 | I | A | 0.0000 | |
| 354 | T | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | M | A | 0.0000 | |
| 357 | D | A | 0.0000 | |
| 358 | K | A | -2.9083 | |
| 359 | D | A | -3.0140 | |
| 360 | K | A | -2.1181 | |
| 361 | L | A | -0.2164 | |
| 362 | S | A | -1.5461 | |
| 363 | R | A | -2.7562 | |
| 364 | N | A | -2.5651 | |
| 365 | D | A | -2.0673 | |
| 366 | V | A | -0.5849 | |
| 367 | I | A | 0.0000 | |
| 368 | G | A | 0.0000 | |
| 369 | K | A | -0.7346 | |
| 370 | I | A | 0.0000 | |
| 371 | Y | A | 0.3779 | |
| 372 | L | A | 0.0000 | |
| 373 | S | A | 0.0000 | |
| 374 | W | A | -1.2655 | |
| 375 | K | A | -1.6908 | |
| 376 | S | A | -0.7476 | |
| 377 | G | A | -0.6514 | |
| 378 | P | A | -0.9976 | |
| 379 | G | A | -1.2008 | |
| 380 | E | A | 0.0000 | |
| 381 | V | A | -1.5846 | |
| 382 | K | A | -2.8458 | |
| 383 | H | A | 0.0000 | |
| 384 | W | A | 0.0000 | |
| 385 | K | A | -3.0742 | |
| 386 | D | A | -3.4437 | |
| 387 | M | A | 0.0000 | |
| 388 | I | A | -1.6842 | |
| 389 | A | A | -2.0991 | |
| 390 | R | A | -3.3239 | |
| 391 | P | A | -2.5324 | |
| 392 | R | A | -2.9638 | |
| 393 | Q | A | -2.9111 | |
| 394 | P | A | -1.5731 | |
| 395 | V | A | -1.1904 | |
| 396 | A | A | -0.4350 | |
| 397 | Q | A | -0.6912 | |
| 398 | W | A | -0.2842 | |
| 399 | H | A | 0.0000 | |
| 400 | Q | A | -1.0543 | |
| 401 | L | A | 0.0000 | |
| 402 | K | A | -1.9814 | |
| 403 | A | A | -1.1404 |
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