| Chain sequence(s) |
A: MKAPSVVRAVLDFDVAEYVSTTRAVGRHHLDPELRNRMAELYLDLRDALHEPDAVFDRRELRVLRFAELALQSEWKLADPSGGTDCAGLLNTVSGPRGKRYQPYANVRLLNQVLGTRRGSSDASIEYRCRQTLRFLVRSWLEYERRSSNGTETTWGWQRPLTPDAMSERLDRLARLRQDTADWPSLPRPHPVPPARWHHYVGDAGRSDTLEYLVNLPQTQHHDENAFLRVIHLTEVTTSGILARTLGAKTWLEAGRLREAAMCLERAAALASLQLDVMRVLRRTMSVENFLGFRKETGDASAVQMTSSQALHVHLLGVHPLKVEALEGVPENAFLLFHLNDRFRPLRSLLHELPTDRDEAAQVLAAARDLDETLYAWRRLHLGLAHRYLPKDSMGSGGTSGAPYLAGFYQDRLFDHAGELTPHPVPVTSPALEGRPVWARAVFSPMN
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:59)
[INFO] Main: Simulation completed successfully. (00:17:03)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.1835 | |
| 2 | K | A | -1.5033 | |
| 3 | A | A | -1.1811 | |
| 4 | P | A | -0.9378 | |
| 5 | S | A | -1.2456 | |
| 6 | V | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | R | A | -2.3092 | |
| 9 | A | A | -1.5795 | |
| 10 | V | A | 0.0000 | |
| 11 | L | A | -1.8064 | |
| 12 | D | A | -2.6786 | |
| 13 | F | A | 0.0000 | |
| 14 | D | A | -2.3998 | |
| 15 | V | A | 0.0000 | |
| 16 | A | A | -1.1983 | |
| 17 | E | A | -2.2203 | |
| 18 | Y | A | 0.0000 | |
| 19 | V | A | 0.0000 | |
| 20 | S | A | -0.5134 | |
| 21 | T | A | -0.7975 | |
| 22 | T | A | 0.0000 | |
| 23 | R | A | 0.0000 | |
| 24 | A | A | 0.0241 | |
| 25 | V | A | -0.2792 | |
| 26 | G | A | 0.0000 | |
| 27 | R | A | 0.0000 | |
| 28 | H | A | -1.7817 | |
| 29 | H | A | -1.7472 | |
| 30 | L | A | 0.0000 | |
| 31 | D | A | -2.7556 | |
| 32 | P | A | -2.6978 | |
| 33 | E | A | -2.9500 | |
| 34 | L | A | -2.1801 | |
| 35 | R | A | -2.3324 | |
| 36 | N | A | -2.4340 | |
| 37 | R | A | -2.8368 | |
| 38 | M | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | E | A | -1.7084 | |
| 41 | L | A | -1.3232 | |
| 42 | Y | A | 0.0000 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -1.6585 | |
| 45 | L | A | 0.0000 | |
| 46 | R | A | -2.0075 | |
| 47 | D | A | -2.6616 | |
| 48 | A | A | 0.0000 | |
| 49 | L | A | -1.6209 | |
| 50 | H | A | -2.6654 | |
| 51 | E | A | -3.0790 | |
| 52 | P | A | -1.9726 | |
| 53 | D | A | -2.0886 | |
| 54 | A | A | -0.7530 | |
| 55 | V | A | 0.9546 | |
| 56 | F | A | -0.1917 | |
| 57 | D | A | -1.6636 | |
| 58 | R | A | -3.1384 | |
| 59 | R | A | -3.6264 | |
| 60 | E | A | -2.6622 | |
| 61 | L | A | -2.0803 | |
| 62 | R | A | -3.4979 | |
| 63 | V | A | 0.0000 | |
| 64 | L | A | 0.0000 | |
| 65 | R | A | -1.8751 | |
| 66 | F | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | E | A | -1.0400 | |
| 69 | L | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | L | A | 0.0000 | |
| 72 | Q | A | -0.5286 | |
| 73 | S | A | 0.0000 | |
| 74 | E | A | 0.0000 | |
| 75 | W | A | 0.0000 | |
| 76 | K | A | -0.8992 | |
| 77 | L | A | 0.0000 | |
| 78 | A | A | 0.0000 | |
| 79 | D | A | -2.3650 | |
| 80 | P | A | -1.4968 | |
| 81 | S | A | -1.3161 | |
| 82 | G | A | -1.4393 | |
| 83 | G | A | -1.3249 | |
| 84 | T | A | -1.2930 | |
| 85 | D | A | -1.7388 | |
| 86 | C | A | -0.8965 | |
| 87 | A | A | -1.1597 | |
| 88 | G | A | -0.5645 | |
| 89 | L | A | 0.8502 | |
| 90 | L | A | 0.0000 | |
| 91 | N | A | -0.8679 | |
| 92 | T | A | 0.3477 | |
| 93 | V | A | 1.3162 | |
| 94 | S | A | 0.1654 | |
| 95 | G | A | -0.5746 | |
| 96 | P | A | -0.9428 | |
| 97 | R | A | -0.8715 | |
| 98 | G | A | -0.9235 | |
| 99 | K | A | -1.2766 | |
| 100 | R | A | -1.1442 | |
| 101 | Y | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | P | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | N | A | 0.0000 | |
| 107 | V | A | 0.0000 | |
| 108 | R | A | -0.4037 | |
| 109 | L | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | 0.0000 | |
| 112 | Q | A | -0.8465 | |
| 113 | V | A | 0.0000 | |
| 114 | L | A | 0.0000 | |
| 115 | G | A | -0.8973 | |
| 116 | T | A | 0.0000 | |
| 117 | R | A | -1.1934 | |
| 118 | R | A | -2.1631 | |
| 119 | G | A | -1.5031 | |
| 120 | S | A | -1.0428 | |
| 121 | S | A | -0.6714 | |
| 122 | D | A | -0.4365 | |
| 123 | A | A | -0.0729 | |
| 124 | S | A | -0.0841 | |
| 125 | I | A | 0.0000 | |
| 126 | E | A | -0.1146 | |
| 127 | Y | A | 0.5856 | |
| 128 | R | A | -0.0966 | |
| 129 | C | A | 0.0000 | |
| 130 | R | A | -0.3684 | |
| 131 | Q | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | R | A | -1.6734 | |
| 135 | F | A | -1.0434 | |
| 136 | L | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | R | A | -2.1974 | |
| 139 | S | A | 0.0000 | |
| 140 | W | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | E | A | -2.6134 | |
| 143 | Y | A | 0.0000 | |
| 144 | E | A | 0.0000 | |
| 145 | R | A | -3.0513 | |
| 146 | R | A | -2.6150 | |
| 147 | S | A | 0.0000 | |
| 148 | S | A | -2.0067 | |
| 149 | N | A | -2.3012 | |
| 150 | G | A | -1.6709 | |
| 151 | T | A | -1.3455 | |
| 152 | E | A | -1.3370 | |
| 153 | T | A | -0.3574 | |
| 154 | T | A | 0.0716 | |
| 155 | W | A | -0.1309 | |
| 156 | G | A | -0.2735 | |
| 157 | W | A | -0.9135 | |
| 158 | Q | A | -2.0897 | |
| 159 | R | A | -2.7337 | |
| 160 | P | A | -1.4825 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | -1.1480 | |
| 163 | P | A | -1.3329 | |
| 164 | D | A | -2.1181 | |
| 165 | A | A | -1.7286 | |
| 166 | M | A | 0.0000 | |
| 167 | S | A | -1.7976 | |
| 168 | E | A | -2.0425 | |
| 169 | R | A | 0.0000 | |
| 170 | L | A | -1.9173 | |
| 171 | D | A | -2.5707 | |
| 172 | R | A | -2.4688 | |
| 173 | L | A | 0.0000 | |
| 174 | A | A | -2.6948 | |
| 175 | R | A | -3.3770 | |
| 176 | L | A | 0.0000 | |
| 177 | R | A | -3.3476 | |
| 178 | Q | A | -3.2506 | |
| 179 | D | A | -2.5942 | |
| 180 | T | A | 0.0000 | |
| 181 | A | A | -2.2723 | |
| 182 | D | A | -2.3120 | |
| 183 | W | A | -1.1983 | |
| 184 | P | A | -0.5169 | |
| 185 | S | A | -0.7828 | |
| 186 | L | A | 0.0000 | |
| 187 | P | A | -1.4471 | |
| 188 | R | A | -2.1297 | |
| 189 | P | A | -1.1143 | |
| 190 | H | A | -0.6030 | |
| 191 | P | A | 0.0517 | |
| 192 | V | A | 1.4242 | |
| 193 | P | A | -0.0549 | |
| 194 | P | A | 0.0000 | |
| 195 | A | A | -1.5816 | |
| 196 | R | A | -2.3530 | |
| 197 | W | A | 0.0000 | |
| 198 | H | A | -2.1165 | |
| 199 | H | A | -1.6554 | |
| 200 | Y | A | 0.0000 | |
| 201 | V | A | -1.4521 | |
| 202 | G | A | -1.6362 | |
| 203 | D | A | -2.0653 | |
| 204 | A | A | -1.4921 | |
| 205 | G | A | 0.0000 | |
| 206 | R | A | -1.2236 | |
| 207 | S | A | 0.0000 | |
| 208 | D | A | 0.0000 | |
| 209 | T | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | E | A | -0.4145 | |
| 212 | Y | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | 0.0000 | |
| 215 | N | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | P | A | 0.0000 | |
| 218 | Q | A | 0.0000 | |
| 219 | T | A | 0.0000 | |
| 220 | Q | A | -1.1058 | |
| 221 | H | A | -1.1978 | |
| 222 | H | A | 0.0000 | |
| 223 | D | A | 0.0000 | |
| 224 | E | A | 0.0000 | |
| 225 | N | A | 0.0000 | |
| 226 | A | A | 0.0000 | |
| 227 | F | A | 0.3821 | |
| 228 | L | A | 0.0000 | |
| 229 | R | A | 0.0000 | |
| 230 | V | A | 0.0000 | |
| 231 | I | A | 0.2996 | |
| 232 | H | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | E | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | T | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | R | A | 0.0000 | |
| 245 | T | A | 0.0000 | |
| 246 | L | A | 0.1759 | |
| 247 | G | A | 0.0000 | |
| 248 | A | A | 0.0000 | |
| 249 | K | A | -0.7846 | |
| 250 | T | A | -0.7718 | |
| 251 | W | A | -1.1205 | |
| 252 | L | A | 0.0000 | |
| 253 | E | A | -2.4128 | |
| 254 | A | A | -1.4123 | |
| 255 | G | A | -1.8318 | |
| 256 | R | A | -2.4904 | |
| 257 | L | A | -2.3880 | |
| 258 | R | A | -2.7024 | |
| 259 | E | A | -1.6257 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | M | A | -1.0636 | |
| 263 | C | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | E | A | -2.6104 | |
| 266 | R | A | -1.6633 | |
| 267 | A | A | 0.0000 | |
| 268 | A | A | -1.7136 | |
| 269 | A | A | -1.0252 | |
| 270 | L | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | S | A | -0.5809 | |
| 273 | L | A | 0.0000 | |
| 274 | Q | A | 0.0000 | |
| 275 | L | A | -0.1920 | |
| 276 | D | A | -1.1644 | |
| 277 | V | A | 0.0000 | |
| 278 | M | A | 0.0000 | |
| 279 | R | A | -2.0970 | |
| 280 | V | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | R | A | -2.9245 | |
| 283 | R | A | -2.9566 | |
| 284 | T | A | 0.0000 | |
| 285 | M | A | 0.0000 | |
| 286 | S | A | -0.9387 | |
| 287 | V | A | -0.4661 | |
| 288 | E | A | -1.6538 | |
| 289 | N | A | 0.0000 | |
| 290 | F | A | -0.3338 | |
| 291 | L | A | -0.5981 | |
| 292 | G | A | -1.2342 | |
| 293 | F | A | 0.0000 | |
| 294 | R | A | -1.4110 | |
| 295 | K | A | -2.2682 | |
| 296 | E | A | -1.7119 | |
| 297 | T | A | 0.0000 | |
| 298 | G | A | -1.7708 | |
| 299 | D | A | -2.0803 | |
| 300 | A | A | -1.1385 | |
| 301 | S | A | -0.6665 | |
| 302 | A | A | 0.0197 | |
| 303 | V | A | 0.0000 | |
| 304 | Q | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | T | A | 0.0000 | |
| 307 | S | A | -0.0079 | |
| 308 | S | A | -0.0789 | |
| 309 | Q | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | L | A | 0.0000 | |
| 312 | H | A | -0.1947 | |
| 313 | V | A | 0.0000 | |
| 314 | H | A | 0.0000 | |
| 315 | L | A | 0.0000 | |
| 316 | L | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | V | A | 0.0000 | |
| 319 | H | A | 0.5234 | |
| 320 | P | A | 0.7213 | |
| 321 | L | A | 1.1013 | |
| 322 | K | A | 0.0000 | |
| 323 | V | A | -0.6310 | |
| 324 | E | A | -1.9281 | |
| 325 | A | A | -1.1310 | |
| 326 | L | A | 0.0000 | |
| 327 | E | A | -1.8671 | |
| 328 | G | A | -1.5647 | |
| 329 | V | A | 0.0000 | |
| 330 | P | A | -0.6909 | |
| 331 | E | A | 0.0000 | |
| 332 | N | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | F | A | 0.0000 | |
| 335 | L | A | 0.0000 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | 0.7724 | |
| 338 | H | A | -0.6790 | |
| 339 | L | A | 0.0000 | |
| 340 | N | A | -2.3406 | |
| 341 | D | A | -3.2856 | |
| 342 | R | A | -3.1882 | |
| 343 | F | A | -1.9213 | |
| 344 | R | A | -2.1389 | |
| 345 | P | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | S | A | -1.1356 | |
| 349 | L | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | H | A | -1.6152 | |
| 352 | E | A | -2.3061 | |
| 353 | L | A | -1.5535 | |
| 354 | P | A | -1.9462 | |
| 355 | T | A | -2.1094 | |
| 356 | D | A | -3.1749 | |
| 357 | R | A | -3.8291 | |
| 358 | D | A | -3.6700 | |
| 359 | E | A | -3.1060 | |
| 360 | A | A | 0.0000 | |
| 361 | A | A | -1.6554 | |
| 362 | Q | A | -2.0636 | |
| 363 | V | A | 0.0000 | |
| 364 | L | A | -0.8969 | |
| 365 | A | A | -1.1640 | |
| 366 | A | A | 0.0000 | |
| 367 | A | A | 0.0000 | |
| 368 | R | A | -2.6479 | |
| 369 | D | A | -3.0062 | |
| 370 | L | A | 0.0000 | |
| 371 | D | A | 0.0000 | |
| 372 | E | A | -2.3738 | |
| 373 | T | A | -1.4190 | |
| 374 | L | A | 0.0000 | |
| 375 | Y | A | 0.0000 | |
| 376 | A | A | -0.7924 | |
| 377 | W | A | -0.6251 | |
| 378 | R | A | -0.8928 | |
| 379 | R | A | -1.2532 | |
| 380 | L | A | -0.9438 | |
| 381 | H | A | -0.8852 | |
| 382 | L | A | -0.5944 | |
| 383 | G | A | -1.1569 | |
| 384 | L | A | 0.0000 | |
| 385 | A | A | 0.0000 | |
| 386 | H | A | -1.3040 | |
| 387 | R | A | -1.4338 | |
| 388 | Y | A | 0.0000 | |
| 389 | L | A | -0.5431 | |
| 390 | P | A | -1.4464 | |
| 391 | K | A | -2.6786 | |
| 392 | D | A | -2.4321 | |
| 393 | S | A | -0.9672 | |
| 394 | M | A | 0.1098 | |
| 395 | G | A | -0.2335 | |
| 396 | S | A | -1.0129 | |
| 397 | G | A | -0.9053 | |
| 398 | G | A | -0.6714 | |
| 399 | T | A | -0.3327 | |
| 400 | S | A | -0.4434 | |
| 401 | G | A | -0.3767 | |
| 402 | A | A | -0.6707 | |
| 403 | P | A | -0.5829 | |
| 404 | Y | A | 0.3258 | |
| 405 | L | A | -0.1411 | |
| 406 | A | A | -0.4210 | |
| 407 | G | A | -0.2431 | |
| 408 | F | A | -0.1693 | |
| 409 | Y | A | -0.5603 | |
| 410 | Q | A | -1.3111 | |
| 411 | D | A | -0.8158 | |
| 412 | R | A | 0.0000 | |
| 413 | L | A | 0.0000 | |
| 414 | F | A | 0.0000 | |
| 415 | D | A | -2.1649 | |
| 416 | H | A | -1.7384 | |
| 417 | A | A | -1.2928 | |
| 418 | G | A | -1.8129 | |
| 419 | E | A | -2.3471 | |
| 420 | L | A | -1.4559 | |
| 421 | T | A | -1.2094 | |
| 422 | P | A | -0.7957 | |
| 423 | H | A | -0.5559 | |
| 424 | P | A | 0.3590 | |
| 425 | V | A | 1.5334 | |
| 426 | P | A | 0.2479 | |
| 427 | V | A | 0.5281 | |
| 428 | T | A | -0.1175 | |
| 429 | S | A | -0.3299 | |
| 430 | P | A | -0.1454 | |
| 431 | A | A | -0.3956 | |
| 432 | L | A | -0.8802 | |
| 433 | E | A | -2.1464 | |
| 434 | G | A | -1.9554 | |
| 435 | R | A | -2.0184 | |
| 436 | P | A | -0.7902 | |
| 437 | V | A | 0.1387 | |
| 438 | W | A | 1.1604 | |
| 439 | A | A | 0.7738 | |
| 440 | R | A | 0.4575 | |
| 441 | A | A | 0.0827 | |
| 442 | V | A | 0.3608 | |
| 443 | F | A | -0.1871 | |
| 444 | S | A | 0.0000 | |
| 445 | P | A | -0.5389 | |
| 446 | M | A | 0.2697 | |
| 447 | N | A | 0.0161 |
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