| Chain sequence(s) |
A: MGSSHHHHHHGSGKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTRITKGSGENLYFQGMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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 (00:08:18)
[INFO] Main: Simulation completed successfully. (00:08:21)
|
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 | 0.7452 | |
| 2 | G | A | -0.2564 | |
| 3 | S | A | -0.6958 | |
| 4 | S | A | -1.2318 | |
| 5 | H | A | -2.1423 | |
| 6 | H | A | -2.4925 | |
| 7 | H | A | -2.7426 | |
| 8 | H | A | -2.7613 | |
| 9 | H | A | -2.5955 | |
| 10 | H | A | -2.2589 | |
| 11 | G | A | -2.1189 | |
| 12 | S | A | -1.8323 | |
| 13 | G | A | -2.0154 | |
| 14 | K | A | -2.9767 | |
| 15 | I | A | 0.0000 | |
| 16 | E | A | -3.5333 | |
| 17 | E | A | -3.2561 | |
| 18 | G | A | -2.0627 | |
| 19 | K | A | -2.0531 | |
| 20 | L | A | 0.0000 | |
| 21 | V | A | -0.4339 | |
| 22 | I | A | 0.0000 | |
| 23 | W | A | 0.0000 | |
| 24 | I | A | 0.0000 | |
| 25 | N | A | -2.0524 | |
| 26 | G | A | -2.3118 | |
| 27 | D | A | -2.4027 | |
| 28 | K | A | -2.0392 | |
| 29 | G | A | 0.0000 | |
| 30 | Y | A | -1.5452 | |
| 31 | N | A | -2.0099 | |
| 32 | G | A | 0.0000 | |
| 33 | L | A | 0.0000 | |
| 34 | A | A | -1.7577 | |
| 35 | E | A | -2.9444 | |
| 36 | V | A | 0.0000 | |
| 37 | G | A | 0.0000 | |
| 38 | K | A | -3.9301 | |
| 39 | K | A | -3.3107 | |
| 40 | F | A | 0.0000 | |
| 41 | E | A | -3.8623 | |
| 42 | K | A | -3.9128 | |
| 43 | D | A | -3.2682 | |
| 44 | T | A | -2.1836 | |
| 45 | G | A | -2.3512 | |
| 46 | I | A | -2.1603 | |
| 47 | K | A | -2.4370 | |
| 48 | V | A | 0.0000 | |
| 49 | T | A | -0.6844 | |
| 50 | V | A | -0.5847 | |
| 51 | E | A | -1.3953 | |
| 52 | H | A | -2.1607 | |
| 53 | P | A | -2.0880 | |
| 54 | D | A | -3.3101 | |
| 55 | K | A | -3.4738 | |
| 56 | L | A | 0.0000 | |
| 57 | E | A | 0.0000 | |
| 58 | E | A | -3.2798 | |
| 59 | K | A | -2.6249 | |
| 60 | F | A | 0.0000 | |
| 61 | P | A | -1.4061 | |
| 62 | Q | A | -1.7510 | |
| 63 | V | A | -1.0101 | |
| 64 | A | A | 0.0000 | |
| 65 | A | A | -0.5990 | |
| 66 | T | A | -0.7493 | |
| 67 | G | A | -0.9212 | |
| 68 | D | A | -1.6404 | |
| 69 | G | A | -1.0019 | |
| 70 | P | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | I | A | 0.0000 | |
| 73 | I | A | 0.0000 | |
| 74 | F | A | 0.0000 | |
| 75 | W | A | -0.3276 | |
| 76 | A | A | -0.5538 | |
| 77 | H | A | 0.0000 | |
| 78 | D | A | -1.1872 | |
| 79 | R | A | -1.8711 | |
| 80 | F | A | 0.0000 | |
| 81 | G | A | 0.0000 | |
| 82 | G | A | -1.2981 | |
| 83 | Y | A | 0.0000 | |
| 84 | A | A | -1.6193 | |
| 85 | Q | A | -1.6763 | |
| 86 | S | A | -1.3157 | |
| 87 | G | A | -1.1795 | |
| 88 | L | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | E | A | -2.2821 | |
| 92 | I | A | 0.0000 | |
| 93 | T | A | -1.4320 | |
| 94 | P | A | 0.0000 | |
| 95 | D | A | -2.9056 | |
| 96 | K | A | -3.2336 | |
| 97 | A | A | -2.1950 | |
| 98 | F | A | 0.0000 | |
| 99 | Q | A | -2.4825 | |
| 100 | D | A | -3.1498 | |
| 101 | K | A | -2.3500 | |
| 102 | L | A | 0.0000 | |
| 103 | Y | A | -0.8846 | |
| 104 | P | A | -0.7926 | |
| 105 | F | A | -0.1866 | |
| 106 | T | A | 0.0000 | |
| 107 | W | A | 0.0000 | |
| 108 | D | A | -0.8557 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | R | A | -1.9403 | |
| 112 | Y | A | -1.9875 | |
| 113 | N | A | -2.6023 | |
| 114 | G | A | -2.5516 | |
| 115 | K | A | -2.6629 | |
| 116 | L | A | -1.5306 | |
| 117 | I | A | 0.0000 | |
| 118 | A | A | 0.0000 | |
| 119 | Y | A | 0.0000 | |
| 120 | P | A | 0.0000 | |
| 121 | I | A | 0.0000 | |
| 122 | A | A | 0.0000 | |
| 123 | V | A | 0.0000 | |
| 124 | E | A | -0.8924 | |
| 125 | A | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | S | A | 0.0000 | |
| 128 | L | A | 0.0000 | |
| 129 | I | A | 0.0000 | |
| 130 | Y | A | -0.5305 | |
| 131 | N | A | 0.0000 | |
| 132 | K | A | -2.0219 | |
| 133 | D | A | -2.3275 | |
| 134 | L | A | -1.4354 | |
| 135 | L | A | 0.0000 | |
| 136 | P | A | -1.5430 | |
| 137 | N | A | -1.9025 | |
| 138 | P | A | -1.1415 | |
| 139 | P | A | 0.0000 | |
| 140 | K | A | -2.1358 | |
| 141 | T | A | -1.9064 | |
| 142 | W | A | 0.0000 | |
| 143 | E | A | -2.0451 | |
| 144 | E | A | -1.4920 | |
| 145 | I | A | 0.0000 | |
| 146 | P | A | -1.5748 | |
| 147 | A | A | -1.2772 | |
| 148 | L | A | -1.4274 | |
| 149 | D | A | 0.0000 | |
| 150 | K | A | -3.3225 | |
| 151 | E | A | -3.3564 | |
| 152 | L | A | 0.0000 | |
| 153 | K | A | -3.1138 | |
| 154 | A | A | -2.4964 | |
| 155 | K | A | -2.9516 | |
| 156 | G | A | -2.4309 | |
| 157 | K | A | -2.6340 | |
| 158 | S | A | -1.7932 | |
| 159 | A | A | 0.0000 | |
| 160 | L | A | 0.0000 | |
| 161 | M | A | -0.1269 | |
| 162 | F | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | L | A | 0.0000 | |
| 165 | Q | A | -0.9303 | |
| 166 | E | A | -0.3956 | |
| 167 | P | A | 0.0000 | |
| 168 | Y | A | 0.2996 | |
| 169 | F | A | 0.2669 | |
| 170 | T | A | 0.0000 | |
| 171 | W | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | L | A | 0.0000 | |
| 174 | I | A | 0.0000 | |
| 175 | A | A | 0.0000 | |
| 176 | A | A | 0.0000 | |
| 177 | D | A | -1.3160 | |
| 178 | G | A | -0.6453 | |
| 179 | G | A | 0.0000 | |
| 180 | Y | A | -0.0828 | |
| 181 | A | A | 0.0000 | |
| 182 | F | A | 0.0000 | |
| 183 | K | A | -1.8323 | |
| 184 | Y | A | -1.7397 | |
| 185 | E | A | -2.9732 | |
| 186 | N | A | -2.7375 | |
| 187 | G | A | 0.0000 | |
| 188 | K | A | -3.0828 | |
| 189 | Y | A | -2.0403 | |
| 190 | D | A | -2.2394 | |
| 191 | I | A | -1.2960 | |
| 192 | K | A | -2.3537 | |
| 193 | D | A | -1.6119 | |
| 194 | V | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | V | A | 0.0000 | |
| 197 | D | A | -1.7364 | |
| 198 | N | A | -1.1331 | |
| 199 | A | A | -0.7126 | |
| 200 | G | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | K | A | -1.3044 | |
| 203 | A | A | -0.7027 | |
| 204 | G | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | T | A | -0.3805 | |
| 207 | F | A | -0.3498 | |
| 208 | L | A | 0.0000 | |
| 209 | V | A | -1.0636 | |
| 210 | D | A | -1.7904 | |
| 211 | L | A | 0.0000 | |
| 212 | I | A | 0.0000 | |
| 213 | K | A | -3.3144 | |
| 214 | N | A | -3.2330 | |
| 215 | K | A | -3.4329 | |
| 216 | H | A | 0.0000 | |
| 217 | M | A | 0.0000 | |
| 218 | N | A | -2.6804 | |
| 219 | A | A | -2.0509 | |
| 220 | D | A | -2.2265 | |
| 221 | T | A | 0.0000 | |
| 222 | D | A | -0.8593 | |
| 223 | Y | A | 0.2567 | |
| 224 | S | A | 0.3044 | |
| 225 | I | A | 0.7724 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -0.4483 | |
| 228 | A | A | -0.6420 | |
| 229 | A | A | 0.0000 | |
| 230 | F | A | 0.0000 | |
| 231 | N | A | -2.1527 | |
| 232 | K | A | -2.6061 | |
| 233 | G | A | -2.2987 | |
| 234 | E | A | -2.5705 | |
| 235 | T | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | I | A | 0.0000 | |
| 240 | N | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | P | A | 0.0621 | |
| 243 | W | A | 0.4156 | |
| 244 | A | A | 0.0000 | |
| 245 | W | A | 0.0000 | |
| 246 | S | A | -1.1207 | |
| 247 | N | A | -1.8954 | |
| 248 | I | A | 0.0000 | |
| 249 | D | A | -2.4941 | |
| 250 | T | A | -1.7445 | |
| 251 | S | A | -2.1325 | |
| 252 | K | A | -2.7186 | |
| 253 | V | A | -2.2242 | |
| 254 | N | A | -2.0889 | |
| 255 | Y | A | -1.2718 | |
| 256 | G | A | 0.0000 | |
| 257 | V | A | 0.0000 | |
| 258 | T | A | -0.1825 | |
| 259 | V | A | -0.1258 | |
| 260 | L | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | T | A | -1.5559 | |
| 263 | F | A | 0.0000 | |
| 264 | K | A | -2.4186 | |
| 265 | G | A | -2.0002 | |
| 266 | Q | A | -1.7310 | |
| 267 | P | A | -1.2285 | |
| 268 | S | A | 0.0000 | |
| 269 | K | A | -1.0419 | |
| 270 | P | A | 0.0000 | |
| 271 | F | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | G | A | -0.4787 | |
| 274 | V | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | S | A | 0.0000 | |
| 277 | A | A | 0.0000 | |
| 278 | G | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | A | A | -0.5418 | |
| 282 | A | A | -0.4761 | |
| 283 | S | A | 0.0000 | |
| 284 | P | A | -1.6887 | |
| 285 | N | A | 0.0000 | |
| 286 | K | A | -2.1565 | |
| 287 | E | A | -2.5121 | |
| 288 | L | A | -1.5988 | |
| 289 | A | A | 0.0000 | |
| 290 | K | A | -2.1407 | |
| 291 | E | A | -2.0162 | |
| 292 | F | A | 0.0000 | |
| 293 | L | A | 0.0000 | |
| 294 | E | A | 0.0000 | |
| 295 | N | A | -1.5752 | |
| 296 | Y | A | -1.2585 | |
| 297 | L | A | 0.0000 | |
| 298 | L | A | 0.0000 | |
| 299 | T | A | -1.8113 | |
| 300 | D | A | -2.7108 | |
| 301 | E | A | -2.7606 | |
| 302 | G | A | 0.0000 | |
| 303 | L | A | 0.0000 | |
| 304 | E | A | -2.6893 | |
| 305 | A | A | -2.5117 | |
| 306 | V | A | 0.0000 | |
| 307 | N | A | -2.0871 | |
| 308 | K | A | -2.7411 | |
| 309 | D | A | -2.5018 | |
| 310 | K | A | -2.2351 | |
| 311 | P | A | -1.2529 | |
| 312 | L | A | -0.6926 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | A | A | 0.0000 | |
| 317 | L | A | 0.0000 | |
| 318 | K | A | -2.0646 | |
| 319 | S | A | -1.9047 | |
| 320 | Y | A | 0.0000 | |
| 321 | E | A | 0.0000 | |
| 322 | E | A | -3.2352 | |
| 323 | E | A | -3.4103 | |
| 324 | L | A | -2.1556 | |
| 325 | A | A | -2.1222 | |
| 326 | K | A | -2.8259 | |
| 327 | D | A | -1.8415 | |
| 328 | P | A | -1.0460 | |
| 329 | R | A | -0.8548 | |
| 330 | I | A | -1.1038 | |
| 331 | A | A | -1.2088 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | 0.0000 | |
| 334 | M | A | 0.0000 | |
| 335 | E | A | -1.6607 | |
| 336 | N | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | Q | A | -2.0166 | |
| 339 | K | A | -1.8523 | |
| 340 | G | A | -1.2767 | |
| 341 | E | A | -0.4730 | |
| 342 | I | A | -0.1748 | |
| 343 | M | A | 0.1028 | |
| 344 | P | A | 0.0000 | |
| 345 | N | A | 0.0000 | |
| 346 | I | A | -0.5595 | |
| 347 | P | A | -0.8107 | |
| 348 | Q | A | -0.3404 | |
| 349 | M | A | 0.0000 | |
| 350 | S | A | 0.0671 | |
| 351 | A | A | -0.3295 | |
| 352 | F | A | 0.0000 | |
| 353 | W | A | 0.0000 | |
| 354 | Y | A | 0.8531 | |
| 355 | A | A | 0.0000 | |
| 356 | V | A | 0.0000 | |
| 357 | R | A | -0.0560 | |
| 358 | T | A | -0.0137 | |
| 359 | A | A | 0.0000 | |
| 360 | V | A | 0.0000 | |
| 361 | I | A | -0.6431 | |
| 362 | N | A | -1.1627 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | 0.0000 | |
| 365 | S | A | -1.5744 | |
| 366 | G | A | -1.6838 | |
| 367 | R | A | -2.3906 | |
| 368 | Q | A | -2.0740 | |
| 369 | T | A | -1.8408 | |
| 370 | V | A | -1.9265 | |
| 371 | D | A | -3.2357 | |
| 372 | E | A | -3.3729 | |
| 373 | A | A | 0.0000 | |
| 374 | L | A | 0.0000 | |
| 375 | K | A | -3.5058 | |
| 376 | D | A | -2.7278 | |
| 377 | A | A | 0.0000 | |
| 378 | Q | A | -2.1558 | |
| 379 | T | A | -2.2411 | |
| 380 | R | A | -2.8681 | |
| 381 | I | A | 0.0000 | |
| 382 | T | A | -2.3708 | |
| 383 | K | A | -2.9919 | |
| 384 | G | A | -2.0404 | |
| 385 | S | A | 0.0000 | |
| 386 | G | A | -1.4302 | |
| 387 | E | A | -1.4497 | |
| 388 | N | A | -1.2065 | |
| 389 | L | A | -0.0002 | |
| 390 | Y | A | 1.1733 | |
| 391 | F | A | 0.3007 | |
| 392 | Q | A | -0.1366 | |
| 393 | G | A | 0.2504 | |
| 394 | M | A | 0.0420 | |
| 395 | I | A | 0.0000 | |
| 396 | E | A | -2.1322 | |
| 397 | I | A | 0.0000 | |
| 398 | I | A | -1.8138 | |
| 399 | C | A | 0.0000 | |
| 400 | N | A | -1.9972 | |
| 401 | D | A | 0.0000 | |
| 402 | R | A | -1.6661 | |
| 403 | L | A | -0.2589 | |
| 404 | G | A | -1.5792 | |
| 405 | K | A | -2.7543 | |
| 406 | K | A | -3.0833 | |
| 407 | I | A | -2.3495 | |
| 408 | R | A | -2.9370 | |
| 409 | I | A | 0.0000 | |
| 410 | K | A | -2.1336 | |
| 411 | C | A | 0.0000 | |
| 412 | N | A | -1.2711 | |
| 413 | T | A | -1.7701 | |
| 414 | D | A | -2.3143 | |
| 415 | D | A | -1.6915 | |
| 416 | T | A | -1.6571 | |
| 417 | I | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | D | A | -1.2166 | |
| 420 | L | A | 0.0000 | |
| 421 | K | A | 0.0000 | |
| 422 | K | A | -1.7257 | |
| 423 | L | A | -0.6344 | |
| 424 | I | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | A | A | -1.0358 | |
| 427 | Q | A | -1.5231 | |
| 428 | T | A | -1.0376 | |
| 429 | G | A | -1.0782 | |
| 430 | T | A | -1.6343 | |
| 431 | R | A | -2.7146 | |
| 432 | W | A | -1.7562 | |
| 433 | N | A | -2.4359 | |
| 434 | K | A | -2.0881 | |
| 435 | I | A | 0.0000 | |
| 436 | I | A | -0.1320 | |
| 437 | L | A | 0.0000 | |
| 438 | K | A | 0.1637 | |
| 439 | K | A | 0.3124 | |
| 440 | W | A | 1.5971 | |
| 441 | Y | A | 1.9264 | |
| 442 | T | A | 1.0127 | |
| 443 | I | A | 0.8138 | |
| 444 | F | A | 0.0000 | |
| 445 | K | A | -1.7076 | |
| 446 | D | A | -1.7976 | |
| 447 | H | A | -1.4779 | |
| 448 | I | A | -1.1631 | |
| 449 | S | A | -1.8515 | |
| 450 | L | A | 0.0000 | |
| 451 | G | A | -2.3609 | |
| 452 | D | A | -2.4788 | |
| 453 | Y | A | -1.7694 | |
| 454 | E | A | -2.6780 | |
| 455 | I | A | 0.0000 | |
| 456 | H | A | -2.2344 | |
| 457 | D | A | -2.6407 | |
| 458 | G | A | -1.7679 | |
| 459 | M | A | -1.3947 | |
| 460 | N | A | -1.5368 | |
| 461 | L | A | 0.0000 | |
| 462 | E | A | -0.9388 | |
| 463 | L | A | 0.0000 | |
| 464 | Y | A | 0.0849 | |
| 465 | Y | A | -0.4260 | |
| 466 | Q | A | -1.4136 |
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