| Chain sequence(s) |
A: VHRGGIAAMSHTESPEDQMIRLVRTLLDVFAGKRPLRAIEPVMSERVIHKNFLITQDGRKRFEEKQGIQEWKTWAILLRKAVKNLSVAEEDLFVRGNQVFAVFRWVADTWHPSIKGNPKHSNFVYAKYTIENGQITVTETCRQNYIFMFGTNFSEAHLGQAYKELLGFPAQDRPQTVISGFLEVERHRHQGPSGLKALLQKRLAQLLAGSKRPVQALEETHLFLACSRDVPELGLRHVQRTDVGESSVAHALLNAVKAVEPGHVLQAIVLSLEVAAPNTITAGAVLLQPLTTALAEDRPVHAIIKGLAISKADPNNRQSVHAQTLSALYAKKKIPAESIQAVYASAAAVPDPLSRAYRQAFGNQASAVKPQTYRAVDDPMTTGMSGLLQAVHSLKGRSRVALDSISQQGTIGHVVLDGFPTEKPDREQVAIIG
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| 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] Analysis: Starting Aggrescan3D on folded.pdb (00:06:47)
[INFO] Main: Simulation completed successfully. (00:06:50)
|
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 | V | A | 0.7676 | |
| 2 | H | A | -1.2041 | |
| 3 | R | A | -1.9813 | |
| 4 | G | A | -1.1033 | |
| 5 | G | A | -0.3155 | |
| 6 | I | A | 1.6307 | |
| 7 | A | A | 1.1411 | |
| 8 | A | A | 0.8894 | |
| 9 | M | A | 0.9788 | |
| 10 | S | A | -0.4138 | |
| 11 | H | A | -1.3377 | |
| 12 | T | A | -1.4607 | |
| 13 | E | A | -2.8695 | |
| 14 | S | A | -2.1721 | |
| 15 | P | A | -2.2995 | |
| 16 | E | A | -3.2054 | |
| 17 | D | A | -2.6402 | |
| 18 | Q | A | -2.8264 | |
| 19 | M | A | -2.0975 | |
| 20 | I | A | -1.5126 | |
| 21 | R | A | -2.6956 | |
| 22 | L | A | -1.5680 | |
| 23 | V | A | 0.0000 | |
| 24 | R | A | -1.9414 | |
| 25 | T | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | L | A | 0.0000 | |
| 28 | D | A | -1.4628 | |
| 29 | V | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | A | A | -1.1526 | |
| 32 | G | A | -1.7850 | |
| 33 | K | A | -2.3386 | |
| 34 | R | A | -1.8980 | |
| 35 | P | A | -1.3267 | |
| 36 | L | A | 0.0000 | |
| 37 | R | A | -0.7938 | |
| 38 | A | A | -0.7251 | |
| 39 | I | A | 0.0000 | |
| 40 | E | A | -1.5250 | |
| 41 | P | A | -0.9932 | |
| 42 | V | A | 0.0000 | |
| 43 | M | A | 0.0000 | |
| 44 | S | A | -2.1045 | |
| 45 | E | A | -3.2391 | |
| 46 | R | A | -2.9929 | |
| 47 | V | A | 0.0000 | |
| 48 | I | A | -1.3272 | |
| 49 | H | A | 0.0000 | |
| 50 | K | A | -1.3220 | |
| 51 | N | A | -1.1021 | |
| 52 | F | A | -0.5201 | |
| 53 | L | A | -0.4468 | |
| 54 | I | A | -0.7083 | |
| 55 | T | A | -1.9529 | |
| 56 | Q | A | -2.4142 | |
| 57 | D | A | -3.1175 | |
| 58 | G | A | -2.7422 | |
| 59 | R | A | -3.2817 | |
| 60 | K | A | -2.5666 | |
| 61 | R | A | -1.8435 | |
| 62 | F | A | -0.2846 | |
| 63 | E | A | -1.8363 | |
| 64 | E | A | -2.5786 | |
| 65 | K | A | -2.6952 | |
| 66 | Q | A | -2.6482 | |
| 67 | G | A | -2.1618 | |
| 68 | I | A | 0.0000 | |
| 69 | Q | A | 0.0000 | |
| 70 | E | A | -1.1812 | |
| 71 | W | A | 0.0000 | |
| 72 | K | A | 0.0000 | |
| 73 | T | A | -0.2867 | |
| 74 | W | A | -0.1601 | |
| 75 | A | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | L | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | R | A | -1.6064 | |
| 80 | K | A | -2.0433 | |
| 81 | A | A | -1.3318 | |
| 82 | V | A | 0.0000 | |
| 83 | K | A | -3.2206 | |
| 84 | N | A | -2.8594 | |
| 85 | L | A | 0.0000 | |
| 86 | S | A | -1.1942 | |
| 87 | V | A | -0.6595 | |
| 88 | A | A | -0.8982 | |
| 89 | E | A | -2.0821 | |
| 90 | E | A | -2.7198 | |
| 91 | D | A | -1.9652 | |
| 92 | L | A | -0.5944 | |
| 93 | F | A | -0.1071 | |
| 94 | V | A | -1.1666 | |
| 95 | R | A | -2.4078 | |
| 96 | G | A | -2.2673 | |
| 97 | N | A | -2.8733 | |
| 98 | Q | A | -1.8833 | |
| 99 | V | A | 0.0000 | |
| 100 | F | A | 0.3630 | |
| 101 | A | A | 0.0000 | |
| 102 | V | A | -0.3326 | |
| 103 | F | A | 0.0000 | |
| 104 | R | A | -0.9830 | |
| 105 | W | A | 0.0000 | |
| 106 | V | A | -1.3310 | |
| 107 | A | A | 0.0000 | |
| 108 | D | A | -3.2998 | |
| 109 | T | A | -2.1994 | |
| 110 | W | A | 0.0000 | |
| 111 | H | A | -0.5902 | |
| 112 | P | A | -0.8911 | |
| 113 | S | A | -0.8179 | |
| 114 | I | A | -1.0896 | |
| 115 | K | A | -2.3139 | |
| 116 | G | A | -2.1079 | |
| 117 | N | A | -2.8078 | |
| 118 | P | A | -2.3544 | |
| 119 | K | A | -2.6401 | |
| 120 | H | A | -1.7068 | |
| 121 | S | A | 0.0000 | |
| 122 | N | A | -0.8746 | |
| 123 | F | A | -0.0183 | |
| 124 | V | A | 0.0000 | |
| 125 | Y | A | 1.1009 | |
| 126 | A | A | 0.0000 | |
| 127 | K | A | -0.1626 | |
| 128 | Y | A | 0.0000 | |
| 129 | T | A | -1.0709 | |
| 130 | I | A | 0.0000 | |
| 131 | E | A | -2.5290 | |
| 132 | N | A | -2.3845 | |
| 133 | G | A | -1.9291 | |
| 134 | Q | A | -1.6820 | |
| 135 | I | A | 0.0000 | |
| 136 | T | A | -1.2207 | |
| 137 | V | A | -0.4840 | |
| 138 | T | A | 0.0000 | |
| 139 | E | A | -0.5783 | |
| 140 | T | A | -0.1433 | |
| 141 | C | A | 0.2057 | |
| 142 | R | A | -0.1169 | |
| 143 | Q | A | -0.1055 | |
| 144 | N | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | I | A | -0.1444 | |
| 147 | F | A | -0.1214 | |
| 148 | M | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | G | A | 0.0000 | |
| 151 | T | A | -0.6331 | |
| 152 | N | A | -1.5364 | |
| 153 | F | A | 0.0000 | |
| 154 | S | A | -1.4808 | |
| 155 | E | A | -2.1461 | |
| 156 | A | A | -1.2831 | |
| 157 | H | A | -1.4252 | |
| 158 | L | A | -1.3880 | |
| 159 | G | A | -1.6571 | |
| 160 | Q | A | -1.7899 | |
| 161 | A | A | -1.5166 | |
| 162 | Y | A | 0.0000 | |
| 163 | K | A | -2.1685 | |
| 164 | E | A | -2.7492 | |
| 165 | L | A | -1.5409 | |
| 166 | L | A | 0.0000 | |
| 167 | G | A | -1.5290 | |
| 168 | F | A | 0.0000 | |
| 169 | P | A | -1.5908 | |
| 170 | A | A | -1.7129 | |
| 171 | Q | A | -2.0998 | |
| 172 | D | A | -2.3661 | |
| 173 | R | A | -2.7929 | |
| 174 | P | A | -1.6631 | |
| 175 | Q | A | -1.0367 | |
| 176 | T | A | 0.0000 | |
| 177 | V | A | 0.0000 | |
| 178 | I | A | 0.0000 | |
| 179 | S | A | 0.0000 | |
| 180 | G | A | -0.1251 | |
| 181 | F | A | -0.1020 | |
| 182 | L | A | -0.7393 | |
| 183 | E | A | -1.9202 | |
| 184 | V | A | -1.3765 | |
| 185 | E | A | -2.5115 | |
| 186 | R | A | -3.0666 | |
| 187 | H | A | -2.4487 | |
| 188 | R | A | -3.0468 | |
| 189 | H | A | -2.2495 | |
| 190 | Q | A | -2.2040 | |
| 191 | G | A | -1.5991 | |
| 192 | P | A | -1.3437 | |
| 193 | S | A | -0.8824 | |
| 194 | G | A | -1.4307 | |
| 195 | L | A | 0.0000 | |
| 196 | K | A | -1.6080 | |
| 197 | A | A | -1.1537 | |
| 198 | L | A | -1.3059 | |
| 199 | L | A | 0.0000 | |
| 200 | Q | A | -1.9030 | |
| 201 | K | A | -2.3649 | |
| 202 | R | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | A | A | -1.2775 | |
| 205 | Q | A | -1.7180 | |
| 206 | L | A | 0.0000 | |
| 207 | L | A | 0.0000 | |
| 208 | A | A | -0.9087 | |
| 209 | G | A | -1.4326 | |
| 210 | S | A | -1.8814 | |
| 211 | K | A | -2.7940 | |
| 212 | R | A | -2.5377 | |
| 213 | P | A | -1.0681 | |
| 214 | V | A | -0.4696 | |
| 215 | Q | A | -0.8572 | |
| 216 | A | A | -0.9633 | |
| 217 | L | A | -1.4628 | |
| 218 | E | A | -2.9774 | |
| 219 | E | A | -3.0355 | |
| 220 | T | A | 0.0000 | |
| 221 | H | A | -1.4015 | |
| 222 | L | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | L | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | S | A | -2.2788 | |
| 228 | R | A | -3.4121 | |
| 229 | D | A | -3.0226 | |
| 230 | V | A | 0.0000 | |
| 231 | P | A | -1.9827 | |
| 232 | E | A | -2.4835 | |
| 233 | L | A | 0.0000 | |
| 234 | G | A | -1.4110 | |
| 235 | L | A | -1.7004 | |
| 236 | R | A | -2.9122 | |
| 237 | H | A | -2.4535 | |
| 238 | V | A | -1.2942 | |
| 239 | Q | A | -1.1368 | |
| 240 | R | A | -1.5528 | |
| 241 | T | A | -1.4106 | |
| 242 | D | A | -2.6611 | |
| 243 | V | A | -1.7334 | |
| 244 | G | A | -2.2791 | |
| 245 | E | A | -2.5361 | |
| 246 | S | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | A | A | 0.0000 | |
| 250 | H | A | -0.4537 | |
| 251 | A | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | L | A | -0.2094 | |
| 254 | N | A | -0.8090 | |
| 255 | A | A | 0.0000 | |
| 256 | V | A | -0.8726 | |
| 257 | K | A | -2.0297 | |
| 258 | A | A | -1.3371 | |
| 259 | V | A | 0.0000 | |
| 260 | E | A | -1.7493 | |
| 261 | P | A | -1.7938 | |
| 262 | G | A | -1.5700 | |
| 263 | H | A | -1.7587 | |
| 264 | V | A | 0.0000 | |
| 265 | L | A | -0.4838 | |
| 266 | Q | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | I | A | 0.0000 | |
| 269 | V | A | 0.0000 | |
| 270 | L | A | 0.0000 | |
| 271 | S | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | E | A | -0.7912 | |
| 274 | V | A | -0.5461 | |
| 275 | A | A | -0.5011 | |
| 276 | A | A | -0.6724 | |
| 277 | P | A | -1.0854 | |
| 278 | N | A | -2.1959 | |
| 279 | T | A | 0.0000 | |
| 280 | I | A | 0.0000 | |
| 281 | T | A | 0.0000 | |
| 282 | A | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | A | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | Q | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | L | A | 0.0000 | |
| 291 | T | A | 0.0000 | |
| 292 | T | A | 0.0000 | |
| 293 | A | A | 0.0000 | |
| 294 | L | A | -0.4252 | |
| 295 | A | A | -0.7179 | |
| 296 | E | A | 0.0000 | |
| 297 | D | A | -2.3804 | |
| 298 | R | A | 0.0000 | |
| 299 | P | A | -0.7529 | |
| 300 | V | A | 0.0000 | |
| 301 | H | A | -0.6498 | |
| 302 | A | A | 0.0000 | |
| 303 | I | A | 0.0000 | |
| 304 | I | A | 0.0000 | |
| 305 | K | A | -0.8000 | |
| 306 | G | A | 0.0000 | |
| 307 | L | A | 0.1698 | |
| 308 | A | A | 0.2763 | |
| 309 | I | A | 0.0371 | |
| 310 | S | A | -0.8561 | |
| 311 | K | A | -2.3015 | |
| 312 | A | A | 0.0000 | |
| 313 | D | A | -3.2112 | |
| 314 | P | A | -2.6638 | |
| 315 | N | A | -2.4436 | |
| 316 | N | A | -2.3518 | |
| 317 | R | A | -2.5437 | |
| 318 | Q | A | -2.2059 | |
| 319 | S | A | -1.5414 | |
| 320 | V | A | -1.4474 | |
| 321 | H | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | Q | A | -1.4565 | |
| 324 | T | A | 0.0000 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | -0.7853 | |
| 327 | A | A | -1.0872 | |
| 328 | L | A | 0.0000 | |
| 329 | Y | A | 0.0000 | |
| 330 | A | A | -1.6239 | |
| 331 | K | A | -2.5438 | |
| 332 | K | A | -2.3984 | |
| 333 | K | A | -2.6040 | |
| 334 | I | A | 0.0000 | |
| 335 | P | A | -1.2153 | |
| 336 | A | A | 0.0000 | |
| 337 | E | A | -2.2141 | |
| 338 | S | A | -1.2059 | |
| 339 | I | A | 0.0000 | |
| 340 | Q | A | -1.9146 | |
| 341 | A | A | -1.3926 | |
| 342 | V | A | 0.0000 | |
| 343 | Y | A | 0.0000 | |
| 344 | A | A | 0.0000 | |
| 345 | S | A | -0.8543 | |
| 346 | A | A | -0.8141 | |
| 347 | A | A | -0.2776 | |
| 348 | A | A | 0.0000 | |
| 349 | V | A | -0.5101 | |
| 350 | P | A | -1.2194 | |
| 351 | D | A | -1.4685 | |
| 352 | P | A | -1.3609 | |
| 353 | L | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | R | A | -3.2933 | |
| 356 | A | A | 0.0000 | |
| 357 | Y | A | 0.0000 | |
| 358 | R | A | -3.5998 | |
| 359 | Q | A | -3.0999 | |
| 360 | A | A | -2.0408 | |
| 361 | F | A | -1.8597 | |
| 362 | G | A | -2.4894 | |
| 363 | N | A | -2.4290 | |
| 364 | Q | A | -2.3124 | |
| 365 | A | A | 0.0000 | |
| 366 | S | A | -2.0313 | |
| 367 | A | A | -1.8158 | |
| 368 | V | A | 0.0000 | |
| 369 | K | A | -2.5388 | |
| 370 | P | A | -1.8244 | |
| 371 | Q | A | -2.3062 | |
| 372 | T | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | R | A | -1.9713 | |
| 375 | A | A | -1.1106 | |
| 376 | V | A | 0.0000 | |
| 377 | D | A | -2.1002 | |
| 378 | D | A | -1.1352 | |
| 379 | P | A | -0.9566 | |
| 380 | M | A | -0.2974 | |
| 381 | T | A | 0.0000 | |
| 382 | T | A | -0.8191 | |
| 383 | G | A | -0.5684 | |
| 384 | M | A | 0.0000 | |
| 385 | S | A | -0.9321 | |
| 386 | G | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Q | A | -1.6633 | |
| 390 | A | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | H | A | -1.5347 | |
| 393 | S | A | -1.2856 | |
| 394 | L | A | -1.7906 | |
| 395 | K | A | -2.4619 | |
| 396 | G | A | -2.2309 | |
| 397 | R | A | -2.4650 | |
| 398 | S | A | -1.9342 | |
| 399 | R | A | -1.6036 | |
| 400 | V | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | L | A | 0.0000 | |
| 403 | D | A | 0.0000 | |
| 404 | S | A | -0.2312 | |
| 405 | I | A | -0.8736 | |
| 406 | S | A | 0.0000 | |
| 407 | Q | A | -2.1430 | |
| 408 | Q | A | -2.6799 | |
| 409 | G | A | 0.0000 | |
| 410 | T | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | G | A | 0.0000 | |
| 413 | H | A | 0.0000 | |
| 414 | V | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | L | A | 0.0000 | |
| 417 | D | A | -1.1228 | |
| 418 | G | A | 0.0000 | |
| 419 | F | A | -1.1209 | |
| 420 | P | A | -1.7431 | |
| 421 | T | A | -1.9384 | |
| 422 | E | A | -3.1056 | |
| 423 | K | A | -3.7386 | |
| 424 | P | A | -3.5338 | |
| 425 | D | A | -4.2445 | |
| 426 | R | A | -3.8069 | |
| 427 | E | A | -3.1170 | |
| 428 | Q | A | -1.5647 | |
| 429 | V | A | 0.7807 | |
| 430 | A | A | 1.1833 | |
| 431 | I | A | 2.8983 | |
| 432 | I | A | 2.9974 | |
| 433 | G | A | 1.2654 |
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