| Chain sequence(s) |
A: MPDDIANAPAGRFRGETLPSGARVWRGIRYAEPPTGDARWRDPRPAAPADDVIDAVRFGAAAPQNTNPAIDLGPDAVFAEDCLFLNVWSPADADPAGLPVMVWVHGGAYTFGSGSQPLYDGEALAARGTVVVTINYRIGALGFLDLSAKSTDAHPFDGNLALKDVLCALEWVRENIASFGGDPERVTVFGESAGAGLVTTLLAVPRAEGLFSRAIAESSPVSSVYGAARAASVTDLFLELVGESDPAALRDVAVDRIVQAGTRVFAEIPARHPGTIAFGPVIDGDLLPEAPDAVLAAGRGLPVPLLIGTNHDESSLFRMMKSPLLPIHEDDIDRMMADLAAERPDVPIPPKQQILEAYEGVRHREIGLGIARDIGFRMPTLWAVEGHARRAPVWLYRFDHATPMLHALRIGATHATELPYVWGTFGRRAHDLTFRLGGRRAAEAISDRMQQRWVSFAAGEEPNTDDAPAWPAFDAEERATLVIDTHDRVVPDLDGALRAGWGKTPLAFP
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:12:16)
[INFO] Main: Simulation completed successfully. (00:12:22)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.4048 | |
| 2 | P | A | -0.6264 | |
| 3 | D | A | -2.0482 | |
| 4 | D | A | -1.7925 | |
| 5 | I | A | -1.7426 | |
| 6 | A | A | 0.0000 | |
| 7 | N | A | -1.7094 | |
| 8 | A | A | -1.2633 | |
| 9 | P | A | -1.1022 | |
| 10 | A | A | -1.1919 | |
| 11 | G | A | 0.0000 | |
| 12 | R | A | -2.1850 | |
| 13 | F | A | 0.0000 | |
| 14 | R | A | -2.3587 | |
| 15 | G | A | 0.0000 | |
| 16 | E | A | -2.1427 | |
| 17 | T | A | -0.8712 | |
| 18 | L | A | -0.5024 | |
| 19 | P | A | -0.4555 | |
| 20 | S | A | -0.4380 | |
| 21 | G | A | -0.7556 | |
| 22 | A | A | 0.0000 | |
| 23 | R | A | -1.0836 | |
| 24 | V | A | 0.0000 | |
| 25 | W | A | 0.0000 | |
| 26 | R | A | -1.0725 | |
| 27 | G | A | -0.5536 | |
| 28 | I | A | 0.0000 | |
| 29 | R | A | -0.8409 | |
| 30 | Y | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | E | A | -2.6234 | |
| 33 | P | A | -1.5579 | |
| 34 | P | A | 0.0000 | |
| 35 | T | A | -1.2082 | |
| 36 | G | A | -1.8401 | |
| 37 | D | A | -2.4673 | |
| 38 | A | A | -1.9293 | |
| 39 | R | A | 0.0000 | |
| 40 | W | A | 0.0000 | |
| 41 | R | A | -1.7558 | |
| 42 | D | A | -1.4173 | |
| 43 | P | A | 0.0000 | |
| 44 | R | A | -2.7576 | |
| 45 | P | A | -1.9970 | |
| 46 | A | A | -1.4105 | |
| 47 | A | A | -0.9999 | |
| 48 | P | A | -1.1181 | |
| 49 | A | A | -1.5056 | |
| 50 | D | A | -2.6184 | |
| 51 | D | A | -2.5744 | |
| 52 | V | A | -1.4270 | |
| 53 | I | A | -0.9570 | |
| 54 | D | A | -2.2687 | |
| 55 | A | A | 0.0000 | |
| 56 | V | A | -1.1260 | |
| 57 | R | A | -1.9079 | |
| 58 | F | A | -0.1977 | |
| 59 | G | A | 0.1447 | |
| 60 | A | A | 0.5391 | |
| 61 | A | A | 0.0000 | |
| 62 | A | A | 0.0000 | |
| 63 | P | A | 0.0000 | |
| 64 | Q | A | 0.0000 | |
| 65 | N | A | -1.1327 | |
| 66 | T | A | -0.5929 | |
| 67 | N | A | -0.5953 | |
| 68 | P | A | -0.4880 | |
| 69 | A | A | -0.1175 | |
| 70 | I | A | -0.1363 | |
| 71 | D | A | -0.7952 | |
| 72 | L | A | -0.3209 | |
| 73 | G | A | -0.9168 | |
| 74 | P | A | -0.9925 | |
| 75 | D | A | -1.4915 | |
| 76 | A | A | 0.1595 | |
| 77 | V | A | 1.7564 | |
| 78 | F | A | 1.2533 | |
| 79 | A | A | 0.6075 | |
| 80 | E | A | -0.2338 | |
| 81 | D | A | -0.7768 | |
| 82 | C | A | 0.0000 | |
| 83 | L | A | 0.0000 | |
| 84 | F | A | -0.2454 | |
| 85 | L | A | 0.0000 | |
| 86 | N | A | 0.0000 | |
| 87 | V | A | 0.0000 | |
| 88 | W | A | 0.0000 | |
| 89 | S | A | 0.0000 | |
| 90 | P | A | -1.0714 | |
| 91 | A | A | -1.1799 | |
| 92 | D | A | -2.2737 | |
| 93 | A | A | -1.6795 | |
| 94 | D | A | -2.0579 | |
| 95 | P | A | -1.1900 | |
| 96 | A | A | -0.6001 | |
| 97 | G | A | -0.9272 | |
| 98 | L | A | -0.6557 | |
| 99 | P | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | W | A | 0.0000 | |
| 104 | V | A | 0.0000 | |
| 105 | H | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | G | A | 0.0621 | |
| 108 | A | A | 0.1175 | |
| 109 | Y | A | 0.0000 | |
| 110 | T | A | 0.0000 | |
| 111 | F | A | 0.0739 | |
| 112 | G | A | 0.0000 | |
| 113 | S | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | S | A | -0.1587 | |
| 116 | Q | A | 0.0000 | |
| 117 | P | A | -0.6927 | |
| 118 | L | A | -0.5406 | |
| 119 | Y | A | 0.0000 | |
| 120 | D | A | -0.6221 | |
| 121 | G | A | 0.0000 | |
| 122 | E | A | -0.8115 | |
| 123 | A | A | -0.6842 | |
| 124 | L | A | 0.0000 | |
| 125 | A | A | 0.0000 | |
| 126 | A | A | -0.6767 | |
| 127 | R | A | -0.7755 | |
| 128 | G | A | -0.7785 | |
| 129 | T | A | 0.0000 | |
| 130 | V | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | T | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | N | A | 0.0000 | |
| 136 | Y | A | 0.0000 | |
| 137 | R | A | 0.0000 | |
| 138 | I | A | 0.0000 | |
| 139 | G | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | G | A | 0.0000 | |
| 143 | F | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | D | A | -0.7381 | |
| 146 | L | A | 0.0000 | |
| 147 | S | A | -0.6800 | |
| 148 | A | A | -0.3518 | |
| 149 | K | A | -0.9524 | |
| 150 | S | A | -1.1175 | |
| 151 | T | A | -1.2030 | |
| 152 | D | A | -1.9268 | |
| 153 | A | A | -1.0179 | |
| 154 | H | A | -1.4761 | |
| 155 | P | A | -1.3279 | |
| 156 | F | A | 0.0000 | |
| 157 | D | A | -0.8822 | |
| 158 | G | A | -0.7203 | |
| 159 | N | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | A | A | 0.0000 | |
| 162 | L | A | 0.0000 | |
| 163 | K | A | -0.8144 | |
| 164 | D | A | 0.0000 | |
| 165 | V | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | C | A | -1.1327 | |
| 168 | A | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | -2.5364 | |
| 171 | W | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | R | A | -2.5452 | |
| 174 | E | A | -2.6047 | |
| 175 | N | A | 0.0000 | |
| 176 | I | A | 0.0000 | |
| 177 | A | A | -0.8842 | |
| 178 | S | A | -0.8096 | |
| 179 | F | A | 0.0000 | |
| 180 | G | A | -0.7310 | |
| 181 | G | A | 0.0000 | |
| 182 | D | A | -1.2817 | |
| 183 | P | A | -2.0090 | |
| 184 | E | A | -2.3678 | |
| 185 | R | A | -1.6586 | |
| 186 | V | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | E | A | 0.0000 | |
| 192 | S | A | -0.0345 | |
| 193 | A | A | 0.0000 | |
| 194 | G | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | G | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | V | A | 0.0000 | |
| 199 | T | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | L | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | A | A | 0.0000 | |
| 204 | V | A | 0.0000 | |
| 205 | P | A | -1.7722 | |
| 206 | R | A | -2.5351 | |
| 207 | A | A | 0.0000 | |
| 208 | E | A | -2.6110 | |
| 209 | G | A | -2.1765 | |
| 210 | L | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | S | A | -1.1686 | |
| 213 | R | A | -0.6095 | |
| 214 | A | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | S | A | 0.0000 | |
| 219 | S | A | 0.0000 | |
| 220 | P | A | -0.0683 | |
| 221 | V | A | 0.0000 | |
| 222 | S | A | -0.0741 | |
| 223 | S | A | -0.0393 | |
| 224 | V | A | 0.0000 | |
| 225 | Y | A | 0.0000 | |
| 226 | G | A | -0.3548 | |
| 227 | A | A | -0.2701 | |
| 228 | A | A | 0.0632 | |
| 229 | R | A | 0.0000 | |
| 230 | A | A | 0.0000 | |
| 231 | A | A | -0.5783 | |
| 232 | S | A | -0.6891 | |
| 233 | V | A | 0.0000 | |
| 234 | T | A | 0.0000 | |
| 235 | D | A | -2.2118 | |
| 236 | L | A | -1.5584 | |
| 237 | F | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | E | A | -2.3379 | |
| 240 | L | A | -1.6130 | |
| 241 | V | A | 0.0000 | |
| 242 | G | A | -1.5348 | |
| 243 | E | A | -1.6977 | |
| 244 | S | A | -1.8698 | |
| 245 | D | A | -2.0272 | |
| 246 | P | A | -1.3850 | |
| 247 | A | A | -1.0352 | |
| 248 | A | A | -1.3192 | |
| 249 | L | A | 0.0000 | |
| 250 | R | A | -1.7571 | |
| 251 | D | A | -2.1291 | |
| 252 | V | A | 0.0000 | |
| 253 | A | A | -1.1337 | |
| 254 | V | A | -1.1385 | |
| 255 | D | A | -2.4884 | |
| 256 | R | A | -2.3705 | |
| 257 | I | A | 0.0000 | |
| 258 | V | A | -1.6515 | |
| 259 | Q | A | -2.4622 | |
| 260 | A | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | T | A | -1.3898 | |
| 263 | R | A | -1.8841 | |
| 264 | V | A | 0.0000 | |
| 265 | F | A | -0.4808 | |
| 266 | A | A | -0.7727 | |
| 267 | E | A | -1.1559 | |
| 268 | I | A | 0.0000 | |
| 269 | P | A | 0.0000 | |
| 270 | A | A | -1.1046 | |
| 271 | R | A | -2.2945 | |
| 272 | H | A | -1.6812 | |
| 273 | P | A | 0.0000 | |
| 274 | G | A | -0.6026 | |
| 275 | T | A | 0.0000 | |
| 276 | I | A | 0.1726 | |
| 277 | A | A | 0.0000 | |
| 278 | F | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.0000 | |
| 281 | V | A | 0.0000 | |
| 282 | I | A | -0.9466 | |
| 283 | D | A | -2.0152 | |
| 284 | G | A | -2.0392 | |
| 285 | D | A | -2.6716 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | P | A | -1.6218 | |
| 289 | E | A | -1.3147 | |
| 290 | A | A | -0.5247 | |
| 291 | P | A | 0.0000 | |
| 292 | D | A | 0.0000 | |
| 293 | A | A | -0.3324 | |
| 294 | V | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | A | A | -0.6508 | |
| 297 | A | A | -0.8093 | |
| 298 | G | A | 0.0000 | |
| 299 | R | A | -1.9270 | |
| 300 | G | A | 0.0000 | |
| 301 | L | A | -1.0702 | |
| 302 | P | A | -1.3442 | |
| 303 | V | A | 0.0000 | |
| 304 | P | A | -0.4625 | |
| 305 | L | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | I | A | 0.0000 | |
| 308 | G | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | N | A | 0.0000 | |
| 311 | H | A | -0.7975 | |
| 312 | D | A | -0.8420 | |
| 313 | E | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | S | A | -0.8148 | |
| 316 | L | A | -0.3402 | |
| 317 | F | A | 0.0000 | |
| 318 | R | A | -1.6009 | |
| 319 | M | A | -0.1141 | |
| 320 | M | A | -0.3714 | |
| 321 | K | A | -1.7359 | |
| 322 | S | A | -0.8648 | |
| 323 | P | A | -0.8988 | |
| 324 | L | A | -0.2773 | |
| 325 | L | A | 0.0000 | |
| 326 | P | A | 0.0000 | |
| 327 | I | A | -1.4441 | |
| 328 | H | A | -2.8006 | |
| 329 | E | A | -3.7488 | |
| 330 | D | A | -3.7941 | |
| 331 | D | A | -3.1309 | |
| 332 | I | A | 0.0000 | |
| 333 | D | A | -3.4260 | |
| 334 | R | A | -3.0295 | |
| 335 | M | A | 0.0000 | |
| 336 | M | A | -1.2886 | |
| 337 | A | A | -0.9968 | |
| 338 | D | A | -1.2893 | |
| 339 | L | A | 0.0000 | |
| 340 | A | A | -0.7963 | |
| 341 | A | A | -0.8658 | |
| 342 | E | A | -1.4370 | |
| 343 | R | A | -1.5079 | |
| 344 | P | A | -1.4301 | |
| 345 | D | A | -2.0677 | |
| 346 | V | A | -0.9917 | |
| 347 | P | A | -0.7025 | |
| 348 | I | A | -0.1976 | |
| 349 | P | A | -0.7621 | |
| 350 | P | A | -1.2355 | |
| 351 | K | A | -2.4749 | |
| 352 | Q | A | -2.4378 | |
| 353 | Q | A | -1.9254 | |
| 354 | I | A | 0.0000 | |
| 355 | L | A | -1.6638 | |
| 356 | E | A | -2.7529 | |
| 357 | A | A | -1.3745 | |
| 358 | Y | A | 0.0000 | |
| 359 | E | A | -2.6023 | |
| 360 | G | A | -1.6780 | |
| 361 | V | A | -1.4920 | |
| 362 | R | A | -2.9572 | |
| 363 | H | A | -2.8939 | |
| 364 | R | A | -3.1757 | |
| 365 | E | A | -2.0183 | |
| 366 | I | A | -1.5678 | |
| 367 | G | A | -1.5183 | |
| 368 | L | A | -0.9234 | |
| 369 | G | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | A | A | 0.0000 | |
| 372 | R | A | -0.3261 | |
| 373 | D | A | 0.0000 | |
| 374 | I | A | 0.0000 | |
| 375 | G | A | -0.1993 | |
| 376 | F | A | 0.0000 | |
| 377 | R | A | 0.0000 | |
| 378 | M | A | 0.0000 | |
| 379 | P | A | 0.0000 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | W | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | V | A | 0.0000 | |
| 385 | E | A | 0.0000 | |
| 386 | G | A | 0.0000 | |
| 387 | H | A | 0.0000 | |
| 388 | A | A | -1.8055 | |
| 389 | R | A | -2.9939 | |
| 390 | R | A | -2.6222 | |
| 391 | A | A | -1.3151 | |
| 392 | P | A | -1.2432 | |
| 393 | V | A | 0.0000 | |
| 394 | W | A | 0.0000 | |
| 395 | L | A | 0.0000 | |
| 396 | Y | A | 0.0000 | |
| 397 | R | A | -0.4125 | |
| 398 | F | A | 0.0000 | |
| 399 | D | A | -0.7917 | |
| 400 | H | A | 0.0000 | |
| 401 | A | A | 0.0000 | |
| 402 | T | A | 0.0000 | |
| 403 | P | A | -0.2055 | |
| 404 | M | A | 0.1612 | |
| 405 | L | A | -0.0044 | |
| 406 | H | A | -0.6214 | |
| 407 | A | A | 0.0114 | |
| 408 | L | A | 0.3231 | |
| 409 | R | A | -1.2720 | |
| 410 | I | A | -0.4959 | |
| 411 | G | A | -0.6596 | |
| 412 | A | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | H | A | 0.0000 | |
| 415 | A | A | 0.0253 | |
| 416 | T | A | -0.0339 | |
| 417 | E | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | P | A | -0.3918 | |
| 420 | Y | A | 0.0000 | |
| 421 | V | A | 0.0000 | |
| 422 | W | A | 0.0000 | |
| 423 | G | A | -0.9434 | |
| 424 | T | A | -0.8866 | |
| 425 | F | A | -0.8729 | |
| 426 | G | A | -1.5170 | |
| 427 | R | A | -2.4296 | |
| 428 | R | A | -2.0909 | |
| 429 | A | A | -1.4390 | |
| 430 | H | A | -1.5081 | |
| 431 | D | A | -1.3353 | |
| 432 | L | A | -0.1782 | |
| 433 | T | A | -0.1648 | |
| 434 | F | A | -0.5378 | |
| 435 | R | A | -0.9890 | |
| 436 | L | A | 0.5205 | |
| 437 | G | A | -0.4844 | |
| 438 | G | A | -1.1370 | |
| 439 | R | A | -1.8632 | |
| 440 | R | A | -2.5076 | |
| 441 | A | A | -1.7896 | |
| 442 | A | A | 0.0000 | |
| 443 | E | A | -2.2047 | |
| 444 | A | A | -1.7258 | |
| 445 | I | A | 0.0000 | |
| 446 | S | A | 0.0000 | |
| 447 | D | A | -2.0908 | |
| 448 | R | A | -1.8867 | |
| 449 | M | A | 0.0000 | |
| 450 | Q | A | 0.0000 | |
| 451 | Q | A | -1.5512 | |
| 452 | R | A | 0.0000 | |
| 453 | W | A | 0.0000 | |
| 454 | V | A | 0.0000 | |
| 455 | S | A | -1.6013 | |
| 456 | F | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | A | A | -1.1311 | |
| 459 | G | A | -1.8911 | |
| 460 | E | A | -2.9994 | |
| 461 | E | A | -2.9523 | |
| 462 | P | A | 0.0000 | |
| 463 | N | A | -2.0340 | |
| 464 | T | A | -2.2249 | |
| 465 | D | A | -2.8449 | |
| 466 | D | A | -2.8771 | |
| 467 | A | A | -2.0445 | |
| 468 | P | A | -1.3855 | |
| 469 | A | A | -1.0931 | |
| 470 | W | A | 0.0000 | |
| 471 | P | A | -0.8748 | |
| 472 | A | A | -0.9689 | |
| 473 | F | A | 0.0000 | |
| 474 | D | A | -3.2432 | |
| 475 | A | A | -2.5412 | |
| 476 | E | A | -3.3015 | |
| 477 | E | A | -3.2177 | |
| 478 | R | A | -2.3181 | |
| 479 | A | A | 0.0000 | |
| 480 | T | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | V | A | -0.8390 | |
| 483 | I | A | 0.0000 | |
| 484 | D | A | -1.3759 | |
| 485 | T | A | -1.3554 | |
| 486 | H | A | -1.9237 | |
| 487 | D | A | -1.9059 | |
| 488 | R | A | -2.0556 | |
| 489 | V | A | -0.6678 | |
| 490 | V | A | -0.4725 | |
| 491 | P | A | -1.4473 | |
| 492 | D | A | -1.5406 | |
| 493 | L | A | -0.1835 | |
| 494 | D | A | 0.0000 | |
| 495 | G | A | -0.2977 | |
| 496 | A | A | -0.5955 | |
| 497 | L | A | -0.2062 | |
| 498 | R | A | -0.6964 | |
| 499 | A | A | -0.6880 | |
| 500 | G | A | 0.0000 | |
| 501 | W | A | 0.0000 | |
| 502 | G | A | -1.0268 | |
| 503 | K | A | -1.8674 | |
| 504 | T | A | -0.8856 | |
| 505 | P | A | -0.4225 | |
| 506 | L | A | 0.0000 | |
| 507 | A | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | P | A | -0.3422 |