| Chain sequence(s) |
A: MRECISVHVGQAGVQMGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFTTFFCETGAGKHVPRAVFVDLEPTVIDEIRNGPYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDPVLDRIRKLSDQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIAAIKTKRSIQFVDWCPTGFKVGINYQPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGIDSYEDEDEGEE
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | GV43A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.884197 kcal/mol |
| 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 (00:05:13)
[INFO] FoldX: Starting FoldX energy minimalization (00:05:20)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:07:52)
[INFO] Main: Simulation completed successfully. (00:07:55)
|
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 | 0.2963 | |
| 2 | R | A | -0.5973 | |
| 3 | E | A | 0.0000 | |
| 4 | C | A | 0.0000 | |
| 5 | I | A | 0.0000 | |
| 6 | S | A | 0.0000 | |
| 7 | V | A | 0.0000 | |
| 8 | H | A | 0.0000 | |
| 9 | V | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Q | A | -1.3383 | |
| 12 | A | A | -0.6003 | |
| 13 | G | A | 0.0000 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -0.6929 | |
| 16 | M | A | 0.0000 | |
| 17 | G | A | 0.0000 | |
| 18 | N | A | -0.5477 | |
| 19 | A | A | 0.0000 | |
| 20 | C | A | 0.0000 | |
| 21 | W | A | 0.0000 | |
| 22 | E | A | -0.3816 | |
| 23 | L | A | 0.0000 | |
| 24 | Y | A | 0.0000 | |
| 25 | C | A | 0.0000 | |
| 26 | L | A | 0.2142 | |
| 27 | E | A | 0.0964 | |
| 28 | H | A | 0.0000 | |
| 29 | G | A | 0.1477 | |
| 30 | I | A | 0.0000 | |
| 31 | Q | A | -1.8561 | |
| 32 | P | A | -1.6275 | |
| 33 | D | A | -1.9449 | |
| 34 | G | A | 0.0000 | |
| 35 | Q | A | -2.2080 | |
| 36 | M | A | -1.2160 | |
| 37 | P | A | -1.1825 | |
| 38 | S | A | -1.4521 | |
| 39 | D | A | -2.2801 | |
| 40 | K | A | -2.1858 | |
| 41 | T | A | -0.6885 | |
| 42 | I | A | 0.9226 | |
| 43 | V | A | -0.6101 | mutated: GV43A |
| 44 | G | A | -1.5268 | |
| 45 | G | A | -2.0643 | |
| 46 | D | A | -3.1188 | |
| 47 | D | A | -2.6006 | |
| 48 | S | A | -1.6774 | |
| 49 | F | A | -0.8818 | |
| 50 | T | A | -0.9463 | |
| 51 | T | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | C | A | -1.0959 | |
| 55 | E | A | -2.2276 | |
| 56 | T | A | -1.3550 | |
| 57 | G | A | -1.0507 | |
| 58 | A | A | -0.9221 | |
| 59 | G | A | -1.4075 | |
| 60 | K | A | -1.8255 | |
| 61 | H | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | R | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | V | A | 0.0000 | |
| 67 | F | A | 0.0000 | |
| 68 | V | A | 0.0000 | |
| 69 | D | A | 0.0000 | |
| 70 | L | A | 0.0000 | |
| 71 | E | A | -2.1527 | |
| 72 | P | A | -1.6465 | |
| 73 | T | A | -1.1809 | |
| 74 | V | A | 0.0000 | |
| 75 | I | A | 0.0000 | |
| 76 | D | A | -2.2939 | |
| 77 | E | A | -2.5963 | |
| 78 | I | A | 0.0000 | |
| 79 | R | A | -2.7353 | |
| 80 | N | A | -2.8349 | |
| 81 | G | A | -2.1945 | |
| 82 | P | A | -1.6760 | |
| 83 | Y | A | 0.0000 | |
| 84 | R | A | -3.2311 | |
| 85 | Q | A | -2.5254 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | H | A | -1.4702 | |
| 89 | P | A | -1.7200 | |
| 90 | E | A | -2.0715 | |
| 91 | Q | A | 0.0000 | |
| 92 | L | A | 0.0000 | |
| 93 | I | A | -0.4423 | |
| 94 | T | A | -1.1128 | |
| 95 | G | A | -1.8060 | |
| 96 | K | A | -2.6143 | |
| 97 | E | A | -2.5034 | |
| 98 | D | A | -2.2309 | |
| 99 | A | A | 0.0000 | |
| 100 | A | A | -0.7662 | |
| 101 | N | A | -0.4317 | |
| 102 | N | A | 0.0000 | |
| 103 | Y | A | 0.0000 | |
| 104 | A | A | 0.0000 | |
| 105 | R | A | -0.5460 | |
| 106 | G | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | Y | A | -0.3734 | |
| 109 | T | A | -0.7769 | |
| 110 | I | A | -1.3773 | |
| 111 | G | A | 0.0000 | |
| 112 | K | A | -2.3128 | |
| 113 | E | A | -2.6873 | |
| 114 | I | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | D | A | -2.9221 | |
| 117 | P | A | -2.1205 | |
| 118 | V | A | 0.0000 | |
| 119 | L | A | 0.0000 | |
| 120 | D | A | -2.7817 | |
| 121 | R | A | -2.5548 | |
| 122 | I | A | 0.0000 | |
| 123 | R | A | -3.3147 | |
| 124 | K | A | -3.4518 | |
| 125 | L | A | 0.0000 | |
| 126 | S | A | -2.4017 | |
| 127 | D | A | -3.2595 | |
| 128 | Q | A | -2.5646 | |
| 129 | C | A | -1.4297 | |
| 130 | T | A | -0.5901 | |
| 131 | G | A | -0.5428 | |
| 132 | L | A | 0.0000 | |
| 133 | Q | A | -0.7671 | |
| 134 | G | A | 0.0000 | |
| 135 | F | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | H | A | 0.0000 | |
| 140 | S | A | -0.2304 | |
| 141 | F | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | G | A | -0.4650 | |
| 144 | G | A | 0.0000 | |
| 145 | T | A | 0.0000 | |
| 146 | G | A | 0.0000 | |
| 147 | S | A | 0.0000 | |
| 148 | G | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | T | A | 0.0000 | |
| 151 | S | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | M | A | 0.0000 | |
| 155 | E | A | -1.0168 | |
| 156 | R | A | -0.9587 | |
| 157 | L | A | 0.0000 | |
| 158 | S | A | -0.7130 | |
| 159 | V | A | 0.5434 | |
| 160 | D | A | -0.9285 | |
| 161 | Y | A | -1.0479 | |
| 162 | G | A | -1.2574 | |
| 163 | K | A | -2.0420 | |
| 164 | K | A | -1.5616 | |
| 165 | S | A | 0.0000 | |
| 166 | K | A | 0.0000 | |
| 167 | L | A | 0.0000 | |
| 168 | E | A | 0.0000 | |
| 169 | F | A | 0.0000 | |
| 170 | S | A | 0.0000 | |
| 171 | I | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | P | A | -0.3099 | |
| 174 | A | A | 0.0000 | |
| 175 | P | A | -0.7936 | |
| 176 | Q | A | -0.9411 | |
| 177 | V | A | 0.0720 | |
| 178 | S | A | 0.1273 | |
| 179 | T | A | 0.1782 | |
| 180 | A | A | 0.7386 | |
| 181 | V | A | 1.6649 | |
| 182 | V | A | 0.0000 | |
| 183 | E | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | S | A | 0.0000 | |
| 188 | I | A | 0.0000 | |
| 189 | L | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | T | A | 0.0000 | |
| 192 | H | A | -1.2040 | |
| 193 | T | A | -0.6857 | |
| 194 | T | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | E | A | -2.1406 | |
| 197 | H | A | 0.0000 | |
| 198 | S | A | -0.8960 | |
| 199 | D | A | -0.8871 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | F | A | 0.0000 | |
| 203 | M | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | D | A | 0.0000 | |
| 206 | N | A | -0.4300 | |
| 207 | E | A | 0.0000 | |
| 208 | A | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | Y | A | -1.5607 | |
| 211 | D | A | -2.9852 | |
| 212 | I | A | 0.0000 | |
| 213 | C | A | 0.0000 | |
| 214 | R | A | -4.3806 | |
| 215 | R | A | -3.2926 | |
| 216 | N | A | -2.1560 | |
| 217 | L | A | 0.0000 | |
| 218 | D | A | -3.6990 | |
| 219 | I | A | -3.1608 | |
| 220 | E | A | -3.9026 | |
| 221 | R | A | -3.3682 | |
| 222 | P | A | 0.0000 | |
| 223 | T | A | -0.5373 | |
| 224 | Y | A | 0.1381 | |
| 225 | T | A | -0.1581 | |
| 226 | N | A | -0.4201 | |
| 227 | L | A | 0.0000 | |
| 228 | N | A | 0.0000 | |
| 229 | R | A | -0.3998 | |
| 230 | L | A | 0.0000 | |
| 231 | I | A | 0.0000 | |
| 232 | S | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | I | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | A | A | 0.0000 | |
| 241 | S | A | -0.5800 | |
| 242 | L | A | 0.0000 | |
| 243 | R | A | 0.0000 | |
| 244 | F | A | -1.1830 | |
| 245 | D | A | -1.7944 | |
| 246 | G | A | -0.5796 | |
| 247 | A | A | 0.3042 | |
| 248 | L | A | 0.6864 | |
| 249 | N | A | -1.0058 | |
| 250 | V | A | 0.0000 | |
| 251 | D | A | -1.0438 | |
| 252 | L | A | 0.0000 | |
| 253 | T | A | -0.9991 | |
| 254 | E | A | -1.5530 | |
| 255 | F | A | 0.0000 | |
| 256 | Q | A | -0.9982 | |
| 257 | T | A | -0.7320 | |
| 258 | N | A | -0.7156 | |
| 259 | L | A | 0.0000 | |
| 260 | V | A | -0.1501 | |
| 261 | P | A | 0.1728 | |
| 262 | Y | A | 0.4644 | |
| 263 | P | A | -0.5103 | |
| 264 | R | A | -0.7984 | |
| 265 | I | A | 0.0000 | |
| 266 | H | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | P | A | 0.0000 | |
| 269 | L | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | Y | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | P | A | -0.2038 | |
| 275 | V | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | S | A | -1.3732 | |
| 278 | A | A | -1.3046 | |
| 279 | E | A | -2.1922 | |
| 280 | K | A | -2.0140 | |
| 281 | A | A | -1.4895 | |
| 282 | Y | A | -0.4555 | |
| 283 | H | A | -1.9306 | |
| 284 | E | A | -2.6197 | |
| 285 | Q | A | -2.1841 | |
| 286 | L | A | -1.4831 | |
| 287 | S | A | -1.3252 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | -0.9369 | |
| 290 | E | A | -1.2688 | |
| 291 | I | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | N | A | -0.9783 | |
| 294 | A | A | -0.8554 | |
| 295 | C | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | E | A | -1.4619 | |
| 298 | P | A | -1.0979 | |
| 299 | A | A | -0.9559 | |
| 300 | N | A | -0.9401 | |
| 301 | Q | A | 0.0000 | |
| 302 | M | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | K | A | -0.8979 | |
| 305 | C | A | 0.0000 | |
| 306 | D | A | -1.5502 | |
| 307 | P | A | 0.0000 | |
| 308 | R | A | -2.9845 | |
| 309 | H | A | -2.2196 | |
| 310 | G | A | -1.6223 | |
| 311 | K | A | -1.3299 | |
| 312 | Y | A | 0.0000 | |
| 313 | M | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | C | A | 0.0000 | |
| 316 | C | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | Y | A | 0.0000 | |
| 320 | R | A | 0.0000 | |
| 321 | G | A | 0.0000 | |
| 322 | D | A | -1.6959 | |
| 323 | V | A | 0.0000 | |
| 324 | V | A | -0.4494 | |
| 325 | P | A | -1.0319 | |
| 326 | K | A | -2.5458 | |
| 327 | D | A | -2.3446 | |
| 328 | V | A | 0.0000 | |
| 329 | N | A | -2.0182 | |
| 330 | A | A | -1.4200 | |
| 331 | A | A | 0.0000 | |
| 332 | I | A | -0.7609 | |
| 333 | A | A | -0.9069 | |
| 334 | A | A | -0.7601 | |
| 335 | I | A | 0.0000 | |
| 336 | K | A | -2.0877 | |
| 337 | T | A | -1.6764 | |
| 338 | K | A | -2.2935 | |
| 339 | R | A | -2.9073 | |
| 340 | S | A | -2.3618 | |
| 341 | I | A | -2.1317 | |
| 342 | Q | A | -2.3048 | |
| 343 | F | A | -1.0262 | |
| 344 | V | A | 0.0000 | |
| 345 | D | A | -1.0821 | |
| 346 | W | A | -0.1665 | |
| 347 | C | A | -0.1346 | |
| 348 | P | A | -0.5264 | |
| 349 | T | A | -0.3424 | |
| 350 | G | A | 0.0000 | |
| 351 | F | A | -0.1898 | |
| 352 | K | A | -0.0594 | |
| 353 | V | A | 0.2066 | |
| 354 | G | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | Y | A | 0.2276 | |
| 358 | Q | A | -0.6035 | |
| 359 | P | A | -0.9685 | |
| 360 | P | A | 0.0000 | |
| 361 | T | A | -0.3623 | |
| 362 | V | A | -0.3402 | |
| 363 | V | A | -0.2157 | |
| 364 | P | A | -0.5244 | |
| 365 | G | A | -0.6415 | |
| 366 | G | A | -0.7547 | |
| 367 | D | A | -1.1125 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | 0.0000 | |
| 370 | K | A | -1.8805 | |
| 371 | V | A | -1.4144 | |
| 372 | Q | A | -1.9020 | |
| 373 | R | A | -1.4322 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | M | A | 0.0000 | |
| 378 | L | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | T | A | -1.2079 | |
| 383 | A | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | A | A | -1.2938 | |
| 386 | E | A | -1.0685 | |
| 387 | A | A | 0.0000 | |
| 388 | W | A | 0.0000 | |
| 389 | A | A | -0.9202 | |
| 390 | R | A | -1.2971 | |
| 391 | L | A | 0.0000 | |
| 392 | D | A | 0.0000 | |
| 393 | H | A | -1.3148 | |
| 394 | K | A | -0.7154 | |
| 395 | F | A | 0.0000 | |
| 396 | D | A | -1.0214 | |
| 397 | L | A | 0.2408 | |
| 398 | M | A | -0.2572 | |
| 399 | Y | A | -0.8649 | |
| 400 | A | A | -0.8908 | |
| 401 | K | A | -2.1286 | |
| 402 | R | A | -2.4374 | |
| 403 | A | A | -0.7514 | |
| 404 | F | A | 0.1668 | |
| 405 | V | A | 0.0000 | |
| 406 | H | A | -0.6690 | |
| 407 | W | A | 0.6980 | |
| 408 | Y | A | 0.0000 | |
| 409 | V | A | -0.4009 | |
| 410 | G | A | -0.5998 | |
| 411 | E | A | -0.5603 | |
| 412 | G | A | -0.9448 | |
| 413 | M | A | 0.0000 | |
| 414 | E | A | -2.2627 | |
| 415 | E | A | -1.9260 | |
| 416 | G | A | -1.6598 | |
| 417 | E | A | -2.1206 | |
| 418 | F | A | 0.0000 | |
| 419 | S | A | -1.9716 | |
| 420 | E | A | -2.9636 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -2.0803 | |
| 423 | E | A | -2.8630 | |
| 424 | D | A | -2.0303 | |
| 425 | M | A | 0.0000 | |
| 426 | A | A | -1.6726 | |
| 427 | A | A | -1.7651 | |
| 428 | L | A | 0.0000 | |
| 429 | E | A | -2.6694 | |
| 430 | K | A | -3.4485 | |
| 431 | D | A | -2.6783 | |
| 432 | Y | A | 0.0000 | |
| 433 | E | A | -3.4278 | |
| 434 | E | A | -3.1261 | |
| 435 | V | A | -1.5058 | |
| 436 | G | A | -1.2645 | |
| 437 | I | A | -0.8908 | |
| 438 | D | A | -1.1463 | |
| 439 | S | A | -1.4612 | |
| 440 | Y | A | -1.6175 | |
| 441 | E | A | -3.5299 | |
| 442 | D | A | -4.2278 | |
| 443 | E | A | -4.7589 | |
| 444 | D | A | -5.2014 | |
| 445 | E | A | -5.0452 | |
| 446 | G | A | -4.3417 | |
| 447 | E | A | -4.2357 | |
| 448 | E | A | -3.4161 |
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