| Chain sequence(s) |
A: MKNEARNLIKELKAGRDLKENVKKYAFLTSTAFTKYAVIRLSMNYFTMLEMLDECDDDRKKETEDIANTVKAAIENAVFEGESFEEDIEKVLARRQEVTEKMKVLTSYTDAMSLFEYVLLRKNPEISVHDVNKEAVAENMFNYVFQDNDKLVVNSKIQSFIAELPVRMTKERFFDIIRNTLMIYKGGEKEAVNDFAEMVRTASLIEKPEGFEKSFPALYDMYKTLSEADLKKLEKSEHLKYSAILEKATEIISSNVTDYLMLEQIINDTLVILLTSKNKIADKMDDSYASAISILKECVAADSIYSLTDKTEDFFISLEGAQEDAYETLANVSSSLFDIYTEYSEVIEEAGMTDVYSGLIKADKLTSTSLFIDLDKEIRVVNDAADDEYIEKVYKDLEEGFRGLFEKLGVSLRRGVMAKVLSVIPVFFNNKEEIKEYFLYALDRCSDETELLASVEIINEMMLGD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | MC1A,CA298A,CS55A,CS445A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.10262 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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 (00:00:01)
[INFO] FoldX: Building mutant model (00:09:06)
[INFO] FoldX: Starting FoldX energy minimalization (00:09:35)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:39)
[INFO] Main: Simulation completed successfully. (00:13:42)
|
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 | C | A | -1.1467 | mutated: MC1A |
| 2 | K | A | -2.4069 | |
| 3 | N | A | -2.9608 | |
| 4 | E | A | -3.1554 | |
| 5 | A | A | 0.0000 | |
| 6 | R | A | -3.3482 | |
| 7 | N | A | -3.6001 | |
| 8 | L | A | -3.0991 | |
| 9 | I | A | -2.1877 | |
| 10 | K | A | -3.7036 | |
| 11 | E | A | -3.5111 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -3.1702 | |
| 14 | A | A | -2.4518 | |
| 15 | G | A | -2.6693 | |
| 16 | R | A | -3.8608 | |
| 17 | D | A | -3.4234 | |
| 18 | L | A | -2.5434 | |
| 19 | K | A | -3.2320 | |
| 20 | E | A | -3.0210 | |
| 21 | N | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | K | A | -1.6768 | |
| 24 | K | A | -1.8227 | |
| 25 | Y | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | -0.2291 | |
| 28 | L | A | 0.0000 | |
| 29 | T | A | 0.0000 | |
| 30 | S | A | 0.0000 | |
| 31 | T | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | F | A | 0.0000 | |
| 34 | T | A | 0.0000 | |
| 35 | K | A | -0.4995 | |
| 36 | Y | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | -0.4826 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | M | A | 0.1898 | |
| 44 | N | A | -0.1541 | |
| 45 | Y | A | 0.0000 | |
| 46 | F | A | 0.1061 | |
| 47 | T | A | -0.1625 | |
| 48 | M | A | 0.0000 | |
| 49 | L | A | 0.0000 | |
| 50 | E | A | -1.3251 | |
| 51 | M | A | -1.1498 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -2.2483 | |
| 54 | E | A | -2.8778 | |
| 55 | S | A | -2.9961 | mutated: CS55A |
| 56 | D | A | -3.8409 | |
| 57 | D | A | -4.4709 | |
| 58 | D | A | -4.1459 | |
| 59 | R | A | -3.3401 | |
| 60 | K | A | -4.0809 | |
| 61 | K | A | -4.4851 | |
| 62 | E | A | -3.4892 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -3.1833 | |
| 65 | D | A | -3.4311 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | N | A | -2.1507 | |
| 69 | T | A | -1.4932 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -1.5059 | |
| 72 | A | A | -0.9300 | |
| 73 | A | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | E | A | -2.0761 | |
| 76 | N | A | -1.7973 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | 0.0000 | |
| 79 | F | A | -1.5068 | |
| 80 | E | A | -2.5631 | |
| 81 | G | A | -2.2699 | |
| 82 | E | A | -2.1753 | |
| 83 | S | A | 0.0000 | |
| 84 | F | A | -1.1033 | |
| 85 | E | A | -2.7695 | |
| 86 | E | A | -3.2102 | |
| 87 | D | A | 0.0000 | |
| 88 | I | A | -1.8178 | |
| 89 | E | A | -3.0983 | |
| 90 | K | A | -2.6422 | |
| 91 | V | A | 0.0000 | |
| 92 | L | A | -1.2550 | |
| 93 | A | A | -1.4267 | |
| 94 | R | A | -1.7910 | |
| 95 | R | A | 0.0000 | |
| 96 | Q | A | -2.3354 | |
| 97 | E | A | -2.4785 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -1.7983 | |
| 100 | E | A | -3.2794 | |
| 101 | K | A | -2.1060 | |
| 102 | M | A | -1.1038 | |
| 103 | K | A | -1.8704 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | -0.5549 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | T | A | -0.2774 | |
| 110 | D | A | -0.3857 | |
| 111 | A | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | S | A | -0.5733 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -1.1879 | |
| 117 | Y | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | L | A | 0.0745 | |
| 121 | R | A | 0.0000 | |
| 122 | K | A | -1.6781 | |
| 123 | N | A | -1.1784 | |
| 124 | P | A | -1.4442 | |
| 125 | E | A | -1.9072 | |
| 126 | I | A | -0.8919 | |
| 127 | S | A | -0.1967 | |
| 128 | V | A | 0.2784 | |
| 129 | H | A | -1.2377 | |
| 130 | D | A | -2.3553 | |
| 131 | V | A | -1.7983 | |
| 132 | N | A | -2.4010 | |
| 133 | K | A | -2.3897 | |
| 134 | E | A | -2.8665 | |
| 135 | A | A | -1.8967 | |
| 136 | V | A | -1.6156 | |
| 137 | A | A | 0.0000 | |
| 138 | E | A | -2.4428 | |
| 139 | N | A | -2.1733 | |
| 140 | M | A | 0.0000 | |
| 141 | F | A | -1.5310 | |
| 142 | N | A | -1.5865 | |
| 143 | Y | A | -0.6896 | |
| 144 | V | A | 0.0000 | |
| 145 | F | A | -1.2431 | |
| 146 | Q | A | -1.8189 | |
| 147 | D | A | -2.1130 | |
| 148 | N | A | -2.4359 | |
| 149 | D | A | -2.1722 | |
| 150 | K | A | -1.7999 | |
| 151 | L | A | 0.2701 | |
| 152 | V | A | -0.0893 | |
| 153 | V | A | 0.0000 | |
| 154 | N | A | -0.3074 | |
| 155 | S | A | -0.0027 | |
| 156 | K | A | -0.2074 | |
| 157 | I | A | 0.0000 | |
| 158 | Q | A | -0.2742 | |
| 159 | S | A | -0.3602 | |
| 160 | F | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | -0.2576 | |
| 163 | E | A | -0.5134 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | R | A | -0.9673 | |
| 168 | M | A | -1.1132 | |
| 169 | T | A | -1.7398 | |
| 170 | K | A | -2.4972 | |
| 171 | E | A | -3.2899 | |
| 172 | R | A | -3.2898 | |
| 173 | F | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | D | A | -2.7509 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | R | A | -1.6991 | |
| 179 | N | A | -1.2048 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | M | A | -0.3253 | |
| 183 | I | A | 1.3779 | |
| 184 | Y | A | -0.4518 | |
| 185 | K | A | -1.9399 | |
| 186 | G | A | -2.0355 | |
| 187 | G | A | -1.6410 | |
| 188 | E | A | -2.6503 | |
| 189 | K | A | -2.7003 | |
| 190 | E | A | -2.8502 | |
| 191 | A | A | -2.2084 | |
| 192 | V | A | 0.0000 | |
| 193 | N | A | -2.3636 | |
| 194 | D | A | -2.9709 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -2.7393 | |
| 198 | M | A | -1.1103 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.6832 | |
| 201 | T | A | -1.3454 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | I | A | -1.1591 | |
| 206 | E | A | -2.5643 | |
| 207 | K | A | -2.3237 | |
| 208 | P | A | -2.4616 | |
| 209 | E | A | -3.2423 | |
| 210 | G | A | -2.6945 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -3.2778 | |
| 213 | K | A | -2.8599 | |
| 214 | S | A | -1.8750 | |
| 215 | F | A | 0.0000 | |
| 216 | P | A | -1.5365 | |
| 217 | A | A | -1.1392 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | -1.6884 | |
| 220 | D | A | -2.1710 | |
| 221 | M | A | -0.9915 | |
| 222 | Y | A | -1.1467 | |
| 223 | K | A | -2.0336 | |
| 224 | T | A | -1.3575 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.6358 | |
| 227 | E | A | -2.5055 | |
| 228 | A | A | -2.3736 | |
| 229 | D | A | -3.2589 | |
| 230 | L | A | 0.0000 | |
| 231 | K | A | -2.8828 | |
| 232 | K | A | -3.5428 | |
| 233 | L | A | -2.7704 | |
| 234 | E | A | -2.9377 | |
| 235 | K | A | -2.4361 | |
| 236 | S | A | -1.4419 | |
| 237 | E | A | -2.1750 | |
| 238 | H | A | 0.0000 | |
| 239 | L | A | 0.0169 | |
| 240 | K | A | -1.3385 | |
| 241 | Y | A | 0.0000 | |
| 242 | S | A | -0.8362 | |
| 243 | A | A | -1.0180 | |
| 244 | I | A | -1.0206 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -2.9245 | |
| 247 | K | A | -2.6723 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | -1.9005 | |
| 250 | E | A | -2.5724 | |
| 251 | I | A | -1.1993 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.7092 | |
| 254 | S | A | -0.4309 | |
| 255 | N | A | 0.0000 | |
| 256 | V | A | 0.3255 | |
| 257 | T | A | 0.3251 | |
| 258 | D | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | L | A | 0.8234 | |
| 261 | M | A | 0.3620 | |
| 262 | L | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | Q | A | -0.0500 | |
| 265 | I | A | 0.0000 | |
| 266 | I | A | 0.0000 | |
| 267 | N | A | 0.0000 | |
| 268 | D | A | 0.0000 | |
| 269 | T | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | V | A | 0.0000 | |
| 272 | I | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | L | A | -0.3810 | |
| 275 | T | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | K | A | -2.0172 | |
| 278 | N | A | -1.0661 | |
| 279 | K | A | -0.9198 | |
| 280 | I | A | -0.6447 | |
| 281 | A | A | -1.0558 | |
| 282 | D | A | -2.1579 | |
| 283 | K | A | -1.5891 | |
| 284 | M | A | -1.8142 | |
| 285 | D | A | -2.9099 | |
| 286 | D | A | -2.5101 | |
| 287 | S | A | -1.3788 | |
| 288 | Y | A | 0.0000 | |
| 289 | A | A | -0.8468 | |
| 290 | S | A | -0.5744 | |
| 291 | A | A | 0.0000 | |
| 292 | I | A | -0.1964 | |
| 293 | S | A | -0.5024 | |
| 294 | I | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | K | A | -1.6774 | |
| 297 | E | A | -1.3079 | |
| 298 | A | A | 0.0000 | mutated: CA298A |
| 299 | V | A | 0.0000 | |
| 300 | A | A | -1.0310 | |
| 301 | A | A | -0.8914 | |
| 302 | D | A | -1.6796 | |
| 303 | S | A | -0.6591 | |
| 304 | I | A | 0.0620 | |
| 305 | Y | A | 0.9054 | |
| 306 | S | A | -0.0213 | |
| 307 | L | A | -0.5599 | |
| 308 | T | A | -1.6592 | |
| 309 | D | A | -3.2815 | |
| 310 | K | A | -3.3501 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -2.8244 | |
| 313 | D | A | -2.3589 | |
| 314 | F | A | -1.1530 | |
| 315 | F | A | -0.2488 | |
| 316 | I | A | 0.6470 | |
| 317 | S | A | -0.4413 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.7112 | |
| 320 | G | A | -1.9988 | |
| 321 | A | A | -2.1244 | |
| 322 | Q | A | -2.2822 | |
| 323 | E | A | -3.4302 | |
| 324 | D | A | -3.4307 | |
| 325 | A | A | 0.0000 | |
| 326 | Y | A | -1.6067 | |
| 327 | E | A | -2.8158 | |
| 328 | T | A | -1.8218 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -0.9060 | |
| 331 | N | A | -1.1791 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -0.3702 | |
| 334 | S | A | -0.5852 | |
| 335 | S | A | -0.5649 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | -0.2616 | |
| 338 | D | A | -1.8753 | |
| 339 | I | A | 0.0000 | |
| 340 | Y | A | -0.6400 | |
| 341 | T | A | -1.3943 | |
| 342 | E | A | -2.5586 | |
| 343 | Y | A | -2.0690 | |
| 344 | S | A | -2.2278 | |
| 345 | E | A | -3.1877 | |
| 346 | V | A | -2.5340 | |
| 347 | I | A | 0.0000 | |
| 348 | E | A | -3.7745 | |
| 349 | E | A | -3.4239 | |
| 350 | A | A | -2.5109 | |
| 351 | G | A | -2.0923 | |
| 352 | M | A | 0.0000 | |
| 353 | T | A | -1.9975 | |
| 354 | D | A | -1.9980 | |
| 355 | V | A | -0.9383 | |
| 356 | Y | A | 0.0000 | |
| 357 | S | A | -0.6819 | |
| 358 | G | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | -0.0845 | |
| 361 | K | A | -0.7244 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | -0.4698 | |
| 364 | K | A | -0.5729 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | S | A | -0.1243 | |
| 368 | T | A | 0.0163 | |
| 369 | S | A | 0.1365 | |
| 370 | L | A | 0.4940 | |
| 371 | F | A | 0.2514 | |
| 372 | I | A | -0.1625 | |
| 373 | D | A | -1.9286 | |
| 374 | L | A | -1.7926 | |
| 375 | D | A | -3.0551 | |
| 376 | K | A | -3.3663 | |
| 377 | E | A | -2.6104 | |
| 378 | I | A | 0.2516 | |
| 379 | R | A | -0.8508 | |
| 380 | V | A | 1.2856 | |
| 381 | V | A | 0.8903 | |
| 382 | N | A | -1.3353 | |
| 383 | D | A | -2.7015 | |
| 384 | A | A | -2.4459 | |
| 385 | A | A | 0.0000 | |
| 386 | D | A | -3.5858 | |
| 387 | D | A | -3.4760 | |
| 388 | E | A | -3.3230 | |
| 389 | Y | A | -2.3925 | |
| 390 | I | A | 0.0000 | |
| 391 | E | A | -2.8706 | |
| 392 | K | A | -3.2417 | |
| 393 | V | A | -2.1006 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -3.3660 | |
| 396 | D | A | -3.4998 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -2.9130 | |
| 399 | E | A | -3.0908 | |
| 400 | G | A | -2.0731 | |
| 401 | F | A | 0.0000 | |
| 402 | R | A | -2.0316 | |
| 403 | G | A | -1.7429 | |
| 404 | L | A | -1.3513 | |
| 405 | F | A | 0.0000 | |
| 406 | E | A | -2.5787 | |
| 407 | K | A | -2.3650 | |
| 408 | L | A | -0.8536 | |
| 409 | G | A | -0.5793 | |
| 410 | V | A | 0.8593 | |
| 411 | S | A | 0.1971 | |
| 412 | L | A | -0.1685 | |
| 413 | R | A | -0.5080 | |
| 414 | R | A | -0.4227 | |
| 415 | G | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | -0.3474 | |
| 420 | V | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | 0.0634 | |
| 423 | V | A | 0.6441 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.4698 | |
| 426 | V | A | 0.2777 | |
| 427 | F | A | 0.0775 | |
| 428 | F | A | -1.0946 | |
| 429 | N | A | -2.0521 | |
| 430 | N | A | -2.7128 | |
| 431 | K | A | -3.2995 | |
| 432 | E | A | -3.7369 | |
| 433 | E | A | -2.9884 | |
| 434 | I | A | 0.0000 | |
| 435 | K | A | -2.6542 | |
| 436 | E | A | -2.2009 | |
| 437 | Y | A | -1.0147 | |
| 438 | F | A | 0.0000 | |
| 439 | L | A | -1.2457 | |
| 440 | Y | A | -0.7492 | |
| 441 | A | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | D | A | -2.7893 | |
| 444 | R | A | -2.6112 | |
| 445 | S | A | 0.0000 | mutated: CS445A |
| 446 | S | A | -1.9741 | |
| 447 | D | A | -2.1175 | |
| 448 | E | A | -2.1556 | |
| 449 | T | A | -1.1476 | |
| 450 | E | A | 0.0000 | |
| 451 | L | A | 0.0000 | |
| 452 | L | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | S | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | E | A | -2.2404 | |
| 457 | I | A | -1.0751 | |
| 458 | I | A | 0.0000 | |
| 459 | N | A | -1.4943 | |
| 460 | E | A | -2.1908 | |
| 461 | M | A | -0.9131 | |
| 462 | M | A | -0.4471 | |
| 463 | L | A | 0.3976 | |
| 464 | G | A | -1.0151 | |
| 465 | D | A | -1.9707 |
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