| Chain sequence(s) |
A: MKNEARNLIKELKAGRDLKENVKKYAFLTSTAFTKYAVIRLSMNYFTMLEMLDECDDDRKKETEDIANTVKAAIENAVFEGESFEEDIEKVLARRQEVTEKMKVLTSYTDAMSLFEYVLLRKNPEISVHDVNKEAVAENMFNYVFQDNDKLVVNSKIQSFIAELPVRMTKERFFDIIRNTLMIYKGGEKEAVNDFAEMVRTASLIEKPEGFEKSFPALYDMYKTLSEADLKKLEKSEHLKYSAILEKATEIISSNVTDYLMLEQIINDTLVILLTSKNKIADKMDDSYASAISILKECVAADSIYSLTDKTEDFFISLEGAQEDAYETLANVSSSLFDIYTEYSEVIEEAGMTDVYSGLIKADKLTSTSLFIDLDKEIRVVNDAADDEYIEKVYKDLEEGFRGLFEKLGVSLRRGVMAKVLSVIPVFFNNKEEIKEYFLYALDRCSDETELLASVEIINEMMLGDAANDENYALAA
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,CA445A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 3.22814 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 (00:00:00)
[INFO] FoldX: Building mutant model (00:09:25)
[INFO] FoldX: Starting FoldX energy minimalization (00:09:41)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:13:34)
[INFO] Main: Simulation completed successfully. (00:13:37)
|
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 | -1.2127 | mutated: MC1A |
| 2 | K | A | -2.4502 | |
| 3 | N | A | -3.0668 | |
| 4 | E | A | -3.2043 | |
| 5 | A | A | 0.0000 | |
| 6 | R | A | -3.7470 | |
| 7 | N | A | -3.5250 | |
| 8 | L | A | 0.0000 | |
| 9 | I | A | -2.1558 | |
| 10 | K | A | -3.3967 | |
| 11 | E | A | -2.9683 | |
| 12 | L | A | 0.0000 | |
| 13 | K | A | -2.9095 | |
| 14 | A | A | -2.1556 | |
| 15 | G | A | -2.4464 | |
| 16 | R | A | -3.5397 | |
| 17 | D | A | -3.4071 | |
| 18 | L | A | -2.5956 | |
| 19 | K | A | -3.5910 | |
| 20 | E | A | -3.4853 | |
| 21 | N | A | 0.0000 | |
| 22 | V | A | 0.0000 | |
| 23 | K | A | -1.9326 | |
| 24 | K | A | -2.0822 | |
| 25 | Y | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | -0.3215 | |
| 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 | -0.4039 | |
| 36 | Y | A | 0.0000 | |
| 37 | A | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | S | A | 0.0000 | |
| 43 | M | A | 0.1708 | |
| 44 | N | A | -0.1855 | |
| 45 | Y | A | 0.0000 | |
| 46 | F | A | 0.0000 | |
| 47 | T | A | -0.3631 | |
| 48 | M | A | 0.0000 | |
| 49 | L | A | -1.1255 | |
| 50 | E | A | -1.8732 | |
| 51 | M | A | 0.0000 | |
| 52 | L | A | 0.0000 | |
| 53 | D | A | -3.1427 | |
| 54 | E | A | -3.5767 | |
| 55 | S | A | -3.5370 | mutated: CS55A |
| 56 | D | A | -4.0004 | |
| 57 | D | A | -4.4048 | |
| 58 | D | A | -4.1522 | |
| 59 | R | A | -3.8615 | |
| 60 | K | A | -4.6418 | |
| 61 | K | A | -4.5010 | |
| 62 | E | A | -3.4611 | |
| 63 | T | A | 0.0000 | |
| 64 | E | A | -3.3041 | |
| 65 | D | A | -3.3324 | |
| 66 | I | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | N | A | -2.2644 | |
| 69 | T | A | -1.6198 | |
| 70 | V | A | 0.0000 | |
| 71 | K | A | -1.6836 | |
| 72 | A | A | -1.1528 | |
| 73 | A | A | 0.0000 | |
| 74 | I | A | 0.0000 | |
| 75 | E | A | -2.0718 | |
| 76 | N | A | -1.9454 | |
| 77 | A | A | 0.0000 | |
| 78 | V | A | -1.1591 | |
| 79 | F | A | -1.3301 | |
| 80 | E | A | -2.5790 | |
| 81 | G | A | -2.3074 | |
| 82 | E | A | -2.7097 | |
| 83 | S | A | -2.0055 | |
| 84 | F | A | -1.6532 | |
| 85 | E | A | -3.0075 | |
| 86 | E | A | -3.4096 | |
| 87 | D | A | 0.0000 | |
| 88 | I | A | -1.9449 | |
| 89 | E | A | -3.2770 | |
| 90 | K | A | -2.9169 | |
| 91 | V | A | 0.0000 | |
| 92 | L | A | -1.4193 | |
| 93 | A | A | -1.6658 | |
| 94 | R | A | -2.1523 | |
| 95 | R | A | 0.0000 | |
| 96 | Q | A | -2.6500 | |
| 97 | E | A | -2.8169 | |
| 98 | V | A | 0.0000 | |
| 99 | T | A | -1.9566 | |
| 100 | E | A | -3.3269 | |
| 101 | K | A | -2.1797 | |
| 102 | M | A | -1.1757 | |
| 103 | K | A | -1.8933 | |
| 104 | V | A | 0.0000 | |
| 105 | L | A | 0.0000 | |
| 106 | T | A | -0.6438 | |
| 107 | S | A | 0.0000 | |
| 108 | Y | A | 0.0000 | |
| 109 | T | A | -0.2514 | |
| 110 | D | A | -0.3768 | |
| 111 | A | A | 0.0000 | |
| 112 | M | A | 0.0000 | |
| 113 | S | A | -0.5453 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | E | A | -1.0998 | |
| 117 | Y | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | L | A | 0.0543 | |
| 121 | R | A | 0.0000 | |
| 122 | K | A | -1.5286 | |
| 123 | N | A | -1.1497 | |
| 124 | P | A | -1.8232 | |
| 125 | E | A | -1.8296 | |
| 126 | I | A | -0.7329 | |
| 127 | S | A | -0.1560 | |
| 128 | V | A | 0.2995 | |
| 129 | H | A | -1.2281 | |
| 130 | D | A | -2.3468 | |
| 131 | V | A | -1.7550 | |
| 132 | N | A | -2.3926 | |
| 133 | K | A | -2.3461 | |
| 134 | E | A | -2.9858 | |
| 135 | A | A | -1.8430 | |
| 136 | V | A | -1.5795 | |
| 137 | A | A | 0.0000 | |
| 138 | E | A | -2.4928 | |
| 139 | N | A | -2.3407 | |
| 140 | M | A | 0.0000 | |
| 141 | F | A | -1.7336 | |
| 142 | N | A | -2.0805 | |
| 143 | Y | A | -1.3642 | |
| 144 | V | A | 0.0000 | |
| 145 | F | A | -1.4766 | |
| 146 | Q | A | -1.8723 | |
| 147 | D | A | -2.0596 | |
| 148 | N | A | -2.3504 | |
| 149 | D | A | -2.0609 | |
| 150 | K | A | -1.6822 | |
| 151 | L | A | 0.4155 | |
| 152 | V | A | 0.1411 | |
| 153 | V | A | -0.5575 | |
| 154 | N | A | -0.1892 | |
| 155 | S | A | 0.1447 | |
| 156 | K | A | 0.0000 | |
| 157 | I | A | 0.0000 | |
| 158 | Q | A | -0.2094 | |
| 159 | S | A | -0.3096 | |
| 160 | F | A | 0.0000 | |
| 161 | I | A | 0.0000 | |
| 162 | A | A | -0.2564 | |
| 163 | E | A | -0.4892 | |
| 164 | L | A | 0.0000 | |
| 165 | P | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | R | A | -1.1823 | |
| 168 | M | A | -1.1601 | |
| 169 | T | A | -1.8427 | |
| 170 | K | A | -2.6996 | |
| 171 | E | A | -3.5630 | |
| 172 | R | A | -3.6916 | |
| 173 | F | A | 0.0000 | |
| 174 | F | A | 0.0000 | |
| 175 | D | A | -3.6866 | |
| 176 | I | A | 0.0000 | |
| 177 | I | A | 0.0000 | |
| 178 | R | A | -2.2893 | |
| 179 | N | A | -1.5275 | |
| 180 | T | A | 0.0000 | |
| 181 | L | A | 0.0000 | |
| 182 | M | A | -0.3974 | |
| 183 | I | A | 1.3465 | |
| 184 | Y | A | -0.3873 | |
| 185 | K | A | -1.9889 | |
| 186 | G | A | -1.8563 | |
| 187 | G | A | -1.4151 | |
| 188 | E | A | -2.1826 | |
| 189 | K | A | -2.3703 | |
| 190 | E | A | -2.3585 | |
| 191 | A | A | -1.9491 | |
| 192 | V | A | 0.0000 | |
| 193 | N | A | -2.2647 | |
| 194 | D | A | -2.8712 | |
| 195 | F | A | 0.0000 | |
| 196 | A | A | 0.0000 | |
| 197 | E | A | -2.6958 | |
| 198 | M | A | -1.2583 | |
| 199 | V | A | 0.0000 | |
| 200 | R | A | -1.5304 | |
| 201 | T | A | -1.3021 | |
| 202 | A | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | L | A | 0.0000 | |
| 205 | I | A | -1.1661 | |
| 206 | E | A | -2.4976 | |
| 207 | K | A | -2.3075 | |
| 208 | P | A | -2.4418 | |
| 209 | E | A | -3.1806 | |
| 210 | G | A | -2.5606 | |
| 211 | F | A | 0.0000 | |
| 212 | E | A | -2.8909 | |
| 213 | K | A | -2.6322 | |
| 214 | S | A | -1.7033 | |
| 215 | F | A | -0.9635 | |
| 216 | P | A | -1.3765 | |
| 217 | A | A | -1.0280 | |
| 218 | L | A | 0.0000 | |
| 219 | Y | A | -1.5612 | |
| 220 | D | A | -2.0978 | |
| 221 | M | A | -0.9864 | |
| 222 | Y | A | -1.1361 | |
| 223 | K | A | -2.0852 | |
| 224 | T | A | -1.4040 | |
| 225 | L | A | 0.0000 | |
| 226 | S | A | -1.6733 | |
| 227 | E | A | -2.5265 | |
| 228 | A | A | -2.2070 | |
| 229 | D | A | -3.2247 | |
| 230 | L | A | 0.0000 | |
| 231 | K | A | -2.9164 | |
| 232 | K | A | -3.6184 | |
| 233 | L | A | 0.0000 | |
| 234 | E | A | -3.0485 | |
| 235 | K | A | -2.6629 | |
| 236 | S | A | -1.5736 | |
| 237 | E | A | -2.2388 | |
| 238 | H | A | 0.0000 | |
| 239 | L | A | -0.2632 | |
| 240 | K | A | -1.3994 | |
| 241 | Y | A | 0.0000 | |
| 242 | S | A | -0.8419 | |
| 243 | A | A | -1.0034 | |
| 244 | I | A | -1.1429 | |
| 245 | L | A | 0.0000 | |
| 246 | E | A | -2.8221 | |
| 247 | K | A | -2.4525 | |
| 248 | A | A | 0.0000 | |
| 249 | T | A | -1.8389 | |
| 250 | E | A | -2.5551 | |
| 251 | I | A | -1.0803 | |
| 252 | I | A | 0.0000 | |
| 253 | S | A | -0.8064 | |
| 254 | S | A | -0.5226 | |
| 255 | N | A | 0.0000 | |
| 256 | V | A | 0.1809 | |
| 257 | T | A | 0.1433 | |
| 258 | D | A | -0.0317 | |
| 259 | Y | A | 0.0000 | |
| 260 | L | A | 0.7017 | |
| 261 | M | A | 0.2634 | |
| 262 | L | A | 0.0000 | |
| 263 | E | A | 0.0000 | |
| 264 | Q | A | -0.0144 | |
| 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 | -0.4429 | |
| 275 | T | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | K | A | -2.1264 | |
| 278 | N | A | -1.1518 | |
| 279 | K | A | -1.0271 | |
| 280 | I | A | -0.7059 | |
| 281 | A | A | -1.0484 | |
| 282 | D | A | -2.1209 | |
| 283 | K | A | -1.5441 | |
| 284 | M | A | -1.6737 | |
| 285 | D | A | -2.6201 | |
| 286 | D | A | -2.3611 | |
| 287 | S | A | -1.2589 | |
| 288 | Y | A | 0.0000 | |
| 289 | A | A | -0.8039 | |
| 290 | S | A | -0.4958 | |
| 291 | A | A | 0.0000 | |
| 292 | I | A | -0.1659 | |
| 293 | S | A | -0.4464 | |
| 294 | I | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | K | A | -1.5730 | |
| 297 | E | A | -1.4790 | |
| 298 | A | A | 0.0000 | mutated: CA298A |
| 299 | V | A | 0.0000 | |
| 300 | A | A | -0.9587 | |
| 301 | A | A | -0.9612 | |
| 302 | D | A | -1.6654 | |
| 303 | S | A | -0.8004 | |
| 304 | I | A | -0.4066 | |
| 305 | Y | A | 0.3645 | |
| 306 | S | A | -0.4374 | |
| 307 | L | A | 0.0000 | |
| 308 | T | A | -1.6404 | |
| 309 | D | A | -2.9659 | |
| 310 | K | A | -2.7188 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -2.7132 | |
| 313 | D | A | -2.1060 | |
| 314 | F | A | -0.6602 | |
| 315 | F | A | 0.0127 | |
| 316 | I | A | 0.7113 | |
| 317 | S | A | -0.3941 | |
| 318 | L | A | 0.0000 | |
| 319 | E | A | -1.6562 | |
| 320 | G | A | -1.9723 | |
| 321 | A | A | -2.0734 | |
| 322 | Q | A | -2.2200 | |
| 323 | E | A | -3.4015 | |
| 324 | D | A | -3.4272 | |
| 325 | A | A | 0.0000 | |
| 326 | Y | A | -1.5803 | |
| 327 | E | A | -2.8074 | |
| 328 | T | A | -1.6804 | |
| 329 | L | A | 0.0000 | |
| 330 | A | A | -0.8821 | |
| 331 | N | A | -1.2435 | |
| 332 | V | A | 0.0000 | |
| 333 | S | A | -0.3811 | |
| 334 | S | A | -0.6381 | |
| 335 | S | A | -0.6507 | |
| 336 | L | A | 0.0000 | |
| 337 | F | A | -0.1070 | |
| 338 | D | A | -1.8907 | |
| 339 | I | A | 0.0000 | |
| 340 | Y | A | -0.6643 | |
| 341 | T | A | -1.3908 | |
| 342 | E | A | -2.5534 | |
| 343 | Y | A | -2.0691 | |
| 344 | S | A | -2.1811 | |
| 345 | E | A | -3.2331 | |
| 346 | V | A | -2.6008 | |
| 347 | I | A | 0.0000 | |
| 348 | E | A | -3.7907 | |
| 349 | E | A | -3.4495 | |
| 350 | A | A | 0.0000 | |
| 351 | G | A | -2.3133 | |
| 352 | M | A | 0.0000 | |
| 353 | T | A | -2.0002 | |
| 354 | D | A | -2.0238 | |
| 355 | V | A | -0.9754 | |
| 356 | Y | A | 0.0000 | |
| 357 | S | A | -0.7343 | |
| 358 | G | A | 0.0000 | |
| 359 | L | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | K | A | -0.9185 | |
| 362 | A | A | 0.0000 | |
| 363 | D | A | -0.3619 | |
| 364 | K | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | S | A | -0.0352 | |
| 368 | T | A | 0.0270 | |
| 369 | S | A | 0.0755 | |
| 370 | L | A | 0.4296 | |
| 371 | F | A | 0.1776 | |
| 372 | I | A | -0.3089 | |
| 373 | D | A | -2.4140 | |
| 374 | L | A | -2.0456 | |
| 375 | D | A | -3.1649 | |
| 376 | K | A | -3.4573 | |
| 377 | E | A | -2.6439 | |
| 378 | I | A | 0.2916 | |
| 379 | R | A | -1.0173 | |
| 380 | V | A | 1.1407 | |
| 381 | V | A | 0.5155 | |
| 382 | N | A | -1.2636 | |
| 383 | D | A | -2.2373 | |
| 384 | A | A | -2.2197 | |
| 385 | A | A | 0.0000 | |
| 386 | D | A | -3.9453 | |
| 387 | D | A | -3.9294 | |
| 388 | E | A | -3.5713 | |
| 389 | Y | A | -2.6460 | |
| 390 | I | A | 0.0000 | |
| 391 | E | A | -3.0550 | |
| 392 | K | A | -3.3033 | |
| 393 | V | A | 0.0000 | |
| 394 | Y | A | 0.0000 | |
| 395 | K | A | -3.7611 | |
| 396 | D | A | -3.6321 | |
| 397 | L | A | 0.0000 | |
| 398 | E | A | -3.1970 | |
| 399 | E | A | -3.1958 | |
| 400 | G | A | -2.1223 | |
| 401 | F | A | 0.0000 | |
| 402 | R | A | -2.2714 | |
| 403 | G | A | -1.7942 | |
| 404 | L | A | -1.6056 | |
| 405 | F | A | 0.0000 | |
| 406 | E | A | -2.6593 | |
| 407 | K | A | -2.4464 | |
| 408 | L | A | -0.9713 | |
| 409 | G | A | -0.7537 | |
| 410 | V | A | 0.5258 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | -0.2100 | |
| 413 | R | A | -0.5687 | |
| 414 | R | A | -0.2390 | |
| 415 | G | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | A | A | 0.0000 | |
| 419 | K | A | -0.3497 | |
| 420 | V | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | S | A | -0.0457 | |
| 423 | V | A | 0.4784 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | 0.4202 | |
| 426 | V | A | 0.2496 | |
| 427 | F | A | -0.1009 | |
| 428 | F | A | -0.9895 | |
| 429 | N | A | -2.0798 | |
| 430 | N | A | -2.7841 | |
| 431 | K | A | -3.2291 | |
| 432 | E | A | -3.7290 | |
| 433 | E | A | -3.0382 | |
| 434 | I | A | 0.0000 | |
| 435 | K | A | -2.8850 | |
| 436 | E | A | -2.4681 | |
| 437 | Y | A | -1.1253 | |
| 438 | F | A | 0.0000 | |
| 439 | L | A | -1.3430 | |
| 440 | Y | A | -0.9480 | |
| 441 | A | A | 0.0000 | |
| 442 | L | A | 0.0000 | |
| 443 | D | A | -2.8257 | |
| 444 | R | A | -2.5915 | |
| 445 | A | A | 0.0000 | mutated: CA445A |
| 446 | S | A | -1.8622 | |
| 447 | D | A | -1.9137 | |
| 448 | E | A | -2.1334 | |
| 449 | T | A | -1.0338 | |
| 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 | -0.9947 | |
| 456 | E | A | -2.1413 | |
| 457 | I | A | -1.0629 | |
| 458 | I | A | 0.0000 | |
| 459 | N | A | -1.5281 | |
| 460 | E | A | -2.0289 | |
| 461 | M | A | -0.9708 | |
| 462 | M | A | -0.4654 | |
| 463 | L | A | 0.1509 | |
| 464 | G | A | -1.2951 | |
| 465 | D | A | -2.5999 | |
| 466 | A | A | -2.0108 | |
| 467 | A | A | -2.0014 | |
| 468 | N | A | -3.0370 | |
| 469 | D | A | -3.3614 | |
| 470 | E | A | -3.0023 | |
| 471 | N | A | -1.8572 | |
| 472 | Y | A | -0.1919 | |
| 473 | A | A | -0.1907 | |
| 474 | L | A | 0.9027 | |
| 475 | A | A | 0.7363 | |
| 476 | A | A | 0.7288 |
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