| Chain sequence(s) |
A: MSEYIRVTEDENDEPIEIPSEDDGTVLLSTVTAQFPGACGLRYRNPVSQCMRGVRLVEGILHAPDAGWGNLVYVVNYPKDNKRKMDETDASSAVKVKRAVQKTSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNSKQSQDEPLRSRKVFVGRCTEDMTEDELREFFSQYGDVMDVFIPKPFRAFAFVTFADDQIAQSLCGEDLIIKGISVHISNAEPKHNSNRQLERSGRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GV376A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 5.34605 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 (00:04:04)
[INFO] FoldX: Starting FoldX energy minimalization (00:04:06)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:08)
[INFO] Main: Simulation completed successfully. (00:06:11)
|
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 | -0.0407 | |
| 2 | S | A | -1.0025 | |
| 3 | E | A | -1.0021 | |
| 4 | Y | A | -0.2198 | |
| 5 | I | A | 0.0000 | |
| 6 | R | A | -1.3217 | |
| 7 | V | A | 0.0000 | |
| 8 | T | A | 0.0000 | |
| 9 | E | A | -3.6685 | |
| 10 | D | A | -4.5315 | |
| 11 | E | A | -4.1861 | |
| 12 | N | A | -4.1635 | |
| 13 | D | A | -4.5879 | |
| 14 | E | A | -3.8397 | |
| 15 | P | A | -2.5212 | |
| 16 | I | A | -1.2512 | |
| 17 | E | A | -1.7821 | |
| 18 | I | A | 0.0000 | |
| 19 | P | A | -0.7674 | |
| 20 | S | A | 0.0000 | |
| 21 | E | A | -2.5235 | |
| 22 | D | A | -3.2262 | |
| 23 | D | A | -3.0453 | |
| 24 | G | A | -2.0646 | |
| 25 | T | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | L | A | 0.2210 | |
| 28 | L | A | 0.4888 | |
| 29 | S | A | -0.0256 | |
| 30 | T | A | -0.0873 | |
| 31 | V | A | 0.0000 | |
| 32 | T | A | -0.3504 | |
| 33 | A | A | -0.4494 | |
| 34 | Q | A | -1.1666 | |
| 35 | F | A | 0.0000 | |
| 36 | P | A | -0.5449 | |
| 37 | G | A | -0.4732 | |
| 38 | A | A | 0.0000 | |
| 39 | C | A | 0.3148 | |
| 40 | G | A | 0.0000 | |
| 41 | L | A | 0.0000 | |
| 42 | R | A | -1.4776 | |
| 43 | Y | A | 0.0000 | |
| 44 | R | A | -1.6615 | |
| 45 | N | A | -0.8900 | |
| 46 | P | A | -0.1144 | |
| 47 | V | A | 1.0482 | |
| 48 | S | A | -0.1799 | |
| 49 | Q | A | -1.1545 | |
| 50 | C | A | -0.6351 | |
| 51 | M | A | -1.1132 | |
| 52 | R | A | -2.0415 | |
| 53 | G | A | -1.6834 | |
| 54 | V | A | -1.1308 | |
| 55 | R | A | -1.5059 | |
| 56 | L | A | 0.1784 | |
| 57 | V | A | 0.3678 | |
| 58 | E | A | -0.9319 | |
| 59 | G | A | -0.2493 | |
| 60 | I | A | 0.1123 | |
| 61 | L | A | 0.0000 | |
| 62 | H | A | -0.9064 | |
| 63 | A | A | -1.1529 | |
| 64 | P | A | -1.5736 | |
| 65 | D | A | -1.8900 | |
| 66 | A | A | -1.0013 | |
| 67 | G | A | -1.1785 | |
| 68 | W | A | 0.0000 | |
| 69 | G | A | -1.0307 | |
| 70 | N | A | -1.2372 | |
| 71 | L | A | -0.6688 | |
| 72 | V | A | -0.5285 | |
| 73 | Y | A | 0.0000 | |
| 74 | V | A | 0.0000 | |
| 75 | V | A | 0.0000 | |
| 76 | N | A | -0.9932 | |
| 77 | Y | A | -0.6758 | |
| 78 | P | A | -1.5084 | |
| 79 | K | A | -3.1792 | |
| 80 | D | A | -4.3444 | |
| 81 | N | A | -4.1589 | |
| 82 | K | A | -4.4844 | |
| 83 | R | A | -4.1821 | |
| 84 | K | A | -3.8912 | |
| 85 | M | A | -2.3383 | |
| 86 | D | A | -3.1028 | |
| 87 | E | A | -3.0954 | |
| 88 | T | A | -2.2243 | |
| 89 | D | A | -2.5853 | |
| 90 | A | A | -1.2291 | |
| 91 | S | A | -0.5476 | |
| 92 | S | A | -0.4080 | |
| 93 | A | A | 0.5710 | |
| 94 | V | A | 1.1713 | |
| 95 | K | A | -0.7582 | |
| 96 | V | A | 0.0523 | |
| 97 | K | A | -1.7405 | |
| 98 | R | A | -1.9929 | |
| 99 | A | A | -0.7923 | |
| 100 | V | A | -0.1452 | |
| 101 | Q | A | -1.7431 | |
| 102 | K | A | -1.9252 | |
| 103 | T | A | -1.5288 | |
| 104 | S | A | -1.5403 | |
| 105 | D | A | -1.2525 | |
| 106 | L | A | 0.0000 | |
| 107 | I | A | -0.3863 | |
| 108 | V | A | 0.0000 | |
| 109 | L | A | 0.1062 | |
| 110 | G | A | 0.0235 | |
| 111 | L | A | 0.0000 | |
| 112 | P | A | 0.0000 | |
| 113 | W | A | -0.5395 | |
| 114 | K | A | -1.6248 | |
| 115 | T | A | 0.0000 | |
| 116 | T | A | -1.9792 | |
| 117 | E | A | -2.6452 | |
| 118 | Q | A | -3.0106 | |
| 119 | D | A | -2.9911 | |
| 120 | L | A | 0.0000 | |
| 121 | K | A | -2.8442 | |
| 122 | E | A | -2.8569 | |
| 123 | Y | A | -1.2837 | |
| 124 | F | A | 0.0000 | |
| 125 | S | A | -1.2963 | |
| 126 | T | A | -0.6614 | |
| 127 | F | A | -0.7716 | |
| 128 | G | A | -1.2765 | |
| 129 | E | A | -1.9865 | |
| 130 | V | A | -0.8990 | |
| 131 | L | A | 0.3435 | |
| 132 | M | A | 0.0368 | |
| 133 | V | A | -0.8086 | |
| 134 | Q | A | -1.5470 | |
| 135 | V | A | 0.0000 | |
| 136 | K | A | -2.1070 | |
| 137 | K | A | -2.7581 | |
| 138 | D | A | -1.8035 | |
| 139 | L | A | -0.3278 | |
| 140 | K | A | -1.5176 | |
| 141 | T | A | -1.2566 | |
| 142 | G | A | -1.6322 | |
| 143 | H | A | -2.2214 | |
| 144 | S | A | 0.0000 | |
| 145 | K | A | -1.9841 | |
| 146 | G | A | -0.8957 | |
| 147 | F | A | -0.3026 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | -0.3899 | |
| 150 | V | A | 0.0000 | |
| 151 | R | A | -1.2034 | |
| 152 | F | A | 0.0000 | |
| 153 | T | A | -1.5224 | |
| 154 | E | A | -2.4512 | |
| 155 | Y | A | -1.6370 | |
| 156 | E | A | -2.1589 | |
| 157 | T | A | 0.0000 | |
| 158 | Q | A | 0.0000 | |
| 159 | V | A | -0.5207 | |
| 160 | K | A | -1.0839 | |
| 161 | V | A | 0.0000 | |
| 162 | M | A | -1.0845 | |
| 163 | S | A | -1.2013 | |
| 164 | Q | A | -2.0137 | |
| 165 | R | A | -2.1770 | |
| 166 | H | A | 0.0000 | |
| 167 | M | A | -0.5400 | |
| 168 | I | A | 0.0000 | |
| 169 | D | A | -2.2675 | |
| 170 | G | A | -1.5327 | |
| 171 | R | A | -1.5490 | |
| 172 | W | A | -0.2072 | |
| 173 | C | A | 0.0000 | |
| 174 | D | A | -1.4791 | |
| 175 | C | A | 0.0000 | |
| 176 | K | A | -1.3003 | |
| 177 | L | A | -0.9567 | |
| 178 | P | A | 0.0000 | |
| 179 | N | A | -2.3502 | |
| 180 | S | A | -1.9000 | |
| 181 | K | A | -2.6019 | |
| 182 | Q | A | -2.6071 | |
| 183 | S | A | -2.5210 | |
| 184 | Q | A | -2.9256 | |
| 185 | D | A | -2.9671 | |
| 186 | E | A | -2.6244 | |
| 187 | P | A | -1.3834 | |
| 188 | L | A | -1.1862 | |
| 189 | R | A | -2.9974 | |
| 190 | S | A | -2.5652 | |
| 191 | R | A | -2.5528 | |
| 192 | K | A | -2.1606 | |
| 193 | V | A | 0.0000 | |
| 194 | F | A | -0.2311 | |
| 195 | V | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | R | A | -1.9254 | |
| 198 | C | A | 0.0000 | |
| 199 | T | A | -1.9089 | |
| 200 | E | A | -2.9732 | |
| 201 | D | A | -2.9054 | |
| 202 | M | A | 0.0000 | |
| 203 | T | A | -2.2435 | |
| 204 | E | A | -2.4065 | |
| 205 | D | A | -3.3993 | |
| 206 | E | A | -2.9746 | |
| 207 | L | A | 0.0000 | |
| 208 | R | A | -3.3400 | |
| 209 | E | A | -3.4677 | |
| 210 | F | A | -1.7019 | |
| 211 | F | A | 0.0000 | |
| 212 | S | A | -1.9931 | |
| 213 | Q | A | -1.7905 | |
| 214 | Y | A | -0.5954 | |
| 215 | G | A | -1.3321 | |
| 216 | D | A | -2.3282 | |
| 217 | V | A | -1.5134 | |
| 218 | M | A | -0.6801 | |
| 219 | D | A | -0.8305 | |
| 220 | V | A | -0.4580 | |
| 221 | F | A | 0.6949 | |
| 222 | I | A | -0.1310 | |
| 223 | P | A | -0.6716 | |
| 224 | K | A | -1.8792 | |
| 225 | P | A | -1.6876 | |
| 226 | F | A | -1.5667 | |
| 227 | R | A | -2.3425 | |
| 228 | A | A | -1.4404 | |
| 229 | F | A | -0.4785 | |
| 230 | A | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | F | A | 0.0000 | |
| 235 | A | A | -1.5622 | |
| 236 | D | A | -2.7360 | |
| 237 | D | A | -3.0384 | |
| 238 | Q | A | -2.6936 | |
| 239 | I | A | -1.4975 | |
| 240 | A | A | 0.0000 | |
| 241 | Q | A | -2.9795 | |
| 242 | S | A | -1.2973 | |
| 243 | L | A | 0.0000 | |
| 244 | C | A | -1.5627 | |
| 245 | G | A | -1.7770 | |
| 246 | E | A | -2.0353 | |
| 247 | D | A | -1.4263 | |
| 248 | L | A | 0.0140 | |
| 249 | I | A | 1.2639 | |
| 250 | I | A | 0.0000 | |
| 251 | K | A | -1.4795 | |
| 252 | G | A | -0.4179 | |
| 253 | I | A | -0.0010 | |
| 254 | S | A | -0.1542 | |
| 255 | V | A | 0.0000 | |
| 256 | H | A | -1.1147 | |
| 257 | I | A | 0.0000 | |
| 258 | S | A | -1.5429 | |
| 259 | N | A | -2.3431 | |
| 260 | A | A | 0.0000 | |
| 261 | E | A | -2.9242 | |
| 262 | P | A | -2.4337 | |
| 263 | K | A | -3.1467 | |
| 264 | H | A | -3.4042 | |
| 265 | N | A | -3.4435 | |
| 266 | S | A | -2.7159 | |
| 267 | N | A | -3.0530 | |
| 268 | R | A | -3.8476 | |
| 269 | Q | A | -3.0756 | |
| 270 | L | A | -1.3607 | |
| 271 | E | A | -3.0719 | |
| 272 | R | A | -3.4883 | |
| 273 | S | A | -1.9158 | |
| 274 | G | A | -1.9168 | |
| 275 | R | A | -1.6621 | |
| 276 | F | A | 0.4594 | |
| 277 | G | A | -0.5014 | |
| 278 | G | A | -1.1589 | |
| 279 | N | A | -1.6845 | |
| 280 | P | A | -1.3462 | |
| 281 | G | A | -0.7901 | |
| 282 | G | A | -0.1391 | |
| 283 | F | A | 1.0720 | |
| 284 | G | A | -0.3790 | |
| 285 | N | A | -1.8250 | |
| 286 | Q | A | -2.3144 | |
| 287 | G | A | -1.0849 | |
| 288 | G | A | -0.1014 | |
| 289 | F | A | 1.1115 | |
| 290 | G | A | -0.2650 | |
| 291 | N | A | -1.5807 | |
| 292 | S | A | -1.9620 | |
| 293 | R | A | -2.5343 | |
| 294 | G | A | -1.7916 | |
| 295 | G | A | -1.3634 | |
| 296 | G | A | -0.8738 | |
| 297 | A | A | -0.1619 | |
| 298 | G | A | 0.0961 | |
| 299 | L | A | 0.8137 | |
| 300 | G | A | -0.7185 | |
| 301 | N | A | -2.0168 | |
| 302 | N | A | -2.6729 | |
| 303 | Q | A | -2.3457 | |
| 304 | G | A | -1.6879 | |
| 305 | S | A | -1.1291 | |
| 306 | N | A | -1.0726 | |
| 307 | M | A | 0.0273 | |
| 308 | G | A | -0.5542 | |
| 309 | G | A | -0.6506 | |
| 310 | G | A | -0.3329 | |
| 311 | M | A | 0.5371 | |
| 312 | N | A | -0.0928 | |
| 313 | F | A | 1.5535 | |
| 314 | G | A | 0.7465 | |
| 315 | A | A | 1.1278 | |
| 316 | F | A | 2.1130 | |
| 317 | S | A | 0.8642 | |
| 318 | I | A | 1.1435 | |
| 319 | N | A | -0.1381 | |
| 320 | P | A | 0.0956 | |
| 321 | A | A | 0.5443 | |
| 322 | M | A | 1.2312 | |
| 323 | M | A | 1.1321 | |
| 324 | A | A | 0.4117 | |
| 325 | A | A | 0.6750 | |
| 326 | A | A | 0.4772 | |
| 327 | Q | A | -0.2578 | |
| 328 | A | A | -0.1840 | |
| 329 | A | A | 0.2052 | |
| 330 | L | A | 0.8021 | |
| 331 | Q | A | -0.5494 | |
| 332 | S | A | -0.1272 | |
| 333 | S | A | 0.5305 | |
| 334 | W | A | 1.1515 | |
| 335 | G | A | 0.5900 | |
| 336 | M | A | 1.6619 | |
| 337 | M | A | 1.9302 | |
| 338 | G | A | 1.2870 | |
| 339 | M | A | 1.8675 | |
| 340 | L | A | 1.8779 | |
| 341 | A | A | 0.4696 | |
| 342 | S | A | -0.8262 | |
| 343 | Q | A | -1.9145 | |
| 344 | Q | A | -2.7967 | |
| 345 | N | A | -2.8466 | |
| 346 | Q | A | -2.4187 | |
| 347 | S | A | -1.3509 | |
| 348 | G | A | -1.0077 | |
| 349 | P | A | -0.8491 | |
| 350 | S | A | -0.9372 | |
| 351 | G | A | -1.5940 | |
| 352 | N | A | -2.4547 | |
| 353 | N | A | -2.8560 | |
| 354 | Q | A | -3.0313 | |
| 355 | N | A | -2.8838 | |
| 356 | Q | A | -2.5872 | |
| 357 | G | A | -1.7622 | |
| 358 | N | A | -1.5077 | |
| 359 | M | A | -0.6687 | |
| 360 | Q | A | -2.3906 | |
| 361 | R | A | -3.2324 | |
| 362 | E | A | -3.3576 | |
| 363 | P | A | -2.3233 | |
| 364 | N | A | -2.3185 | |
| 365 | Q | A | -1.4366 | |
| 366 | A | A | -0.0509 | |
| 367 | F | A | 1.4459 | |
| 368 | G | A | 0.2512 | |
| 369 | S | A | -0.5179 | |
| 370 | G | A | -1.5426 | |
| 371 | N | A | -2.2189 | |
| 372 | N | A | -1.8460 | |
| 373 | S | A | -0.5041 | |
| 374 | Y | A | 1.2082 | |
| 375 | S | A | 1.2548 | |
| 376 | V | A | 1.5504 | mutated: GV376A |
| 377 | S | A | 0.1064 | |
| 378 | N | A | -1.2276 | |
| 379 | S | A | -1.1810 | |
| 380 | G | A | -0.8407 | |
| 381 | A | A | 0.2859 | |
| 382 | A | A | 0.8569 | |
| 383 | I | A | 2.0641 | |
| 384 | G | A | 0.9788 | |
| 385 | W | A | 1.0464 | |
| 386 | G | A | 0.0179 | |
| 387 | S | A | -0.2009 | |
| 388 | A | A | -0.5376 | |
| 389 | S | A | -0.8487 | |
| 390 | N | A | -1.4306 | |
| 391 | A | A | -0.8743 | |
| 392 | G | A | -0.9146 | |
| 393 | S | A | -0.7253 | |
| 394 | G | A | -0.8929 | |
| 395 | S | A | -0.3670 | |
| 396 | G | A | 0.0148 | |
| 397 | F | A | 0.8757 | |
| 398 | N | A | -0.6267 | |
| 399 | G | A | -0.5199 | |
| 400 | G | A | -0.1682 | |
| 401 | F | A | 1.3492 | |
| 402 | G | A | 0.2120 | |
| 403 | S | A | 0.0409 | |
| 404 | S | A | -0.3090 | |
| 405 | M | A | -0.1143 | |
| 406 | D | A | -1.7150 | |
| 407 | S | A | -1.7356 | |
| 408 | K | A | -2.3241 | |
| 409 | S | A | -1.4047 | |
| 410 | S | A | -0.6307 | |
| 411 | G | A | 0.0779 | |
| 412 | W | A | 0.8918 | |
| 413 | G | A | 0.5143 | |
| 414 | M | A | 1.0422 |
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