| Chain sequence(s) |
A: MAGTQAPTHGCKGFKRPAQKKVKPSTKHKKPKHLSQNLRSSSERARVNIGLAFRSWRELKAEKGLRSDAEVALCLLDQRKRLPSEPATSGAGDKKIKFSQSEVQTLIVQEVRNAVEKNETKLQGLIETIQQLDRGVDYESSIQKLEARINTITERAEAALACMTKTKSPPSSVVNGDIVRSESKDETVETVSQNKTSMERVDKSEELFEKMETTKKELKKMRADNEAFTAAITNLSKELPPPVIPPHGSPERKGLVIKMEPKDQQEQENSFEESKQFEEPKAERLKAECLSPGNTNRSKHTDTYEDKLLYPPLPATPFPSILSAEATAYNIPQRVEVQLALIRKPATLSVLWKLGEIDPSAPPMDSYSVFMTTEKTKGSCVFTSWRSLGEMVAISLPMCAMISKYKPGHKVCVAVVGKDKFGRYGPYSKVVTAALPD
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:20:39)
[INFO] Main: Simulation completed successfully. (00:20:46)
|
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 | 0.9734 | |
| 2 | A | A | 0.3339 | |
| 3 | G | A | -0.5022 | |
| 4 | T | A | -0.8139 | |
| 5 | Q | A | -1.3598 | |
| 6 | A | A | -0.6976 | |
| 7 | P | A | -0.7588 | |
| 8 | T | A | -0.7361 | |
| 9 | H | A | -1.1699 | |
| 10 | G | A | -1.0055 | |
| 11 | C | A | -0.7033 | |
| 12 | K | A | -1.1958 | |
| 13 | G | A | -0.5641 | |
| 14 | F | A | 0.0966 | |
| 15 | K | A | -1.7495 | |
| 16 | R | A | -2.3828 | |
| 17 | P | A | -1.7573 | |
| 18 | A | A | -1.3670 | |
| 19 | Q | A | -2.4470 | |
| 20 | K | A | -2.7060 | |
| 21 | K | A | -2.2908 | |
| 22 | V | A | -0.3251 | |
| 23 | K | A | -1.4197 | |
| 24 | P | A | -0.8723 | |
| 25 | S | A | -1.2325 | |
| 26 | T | A | -1.4527 | |
| 27 | K | A | -2.8962 | |
| 28 | H | A | -3.0397 | |
| 29 | K | A | -3.7142 | |
| 30 | K | A | -3.7119 | |
| 31 | P | A | -2.3512 | |
| 32 | K | A | -2.9278 | |
| 33 | H | A | -1.9456 | |
| 34 | L | A | -0.0523 | |
| 35 | S | A | -0.9799 | |
| 36 | Q | A | -2.1330 | |
| 37 | N | A | -1.7074 | |
| 38 | L | A | -0.7095 | |
| 39 | R | A | -2.6934 | |
| 40 | S | A | -2.3959 | |
| 41 | S | A | -2.2690 | |
| 42 | S | A | -2.5663 | |
| 43 | E | A | -3.4475 | |
| 44 | R | A | -3.3268 | |
| 45 | A | A | -2.1718 | |
| 46 | R | A | -2.5667 | |
| 47 | V | A | -0.1861 | |
| 48 | N | A | -0.4799 | |
| 49 | I | A | 0.2633 | |
| 50 | G | A | 0.3781 | |
| 51 | L | A | 1.2052 | |
| 52 | A | A | 0.0838 | |
| 53 | F | A | -0.1649 | |
| 54 | R | A | -2.0341 | |
| 55 | S | A | -1.4432 | |
| 56 | W | A | -1.7236 | |
| 57 | R | A | -3.6164 | |
| 58 | E | A | -3.4835 | |
| 59 | L | A | -2.4604 | |
| 60 | K | A | -3.5556 | |
| 61 | A | A | -2.8230 | |
| 62 | E | A | -3.3521 | |
| 63 | K | A | -3.3689 | |
| 64 | G | A | -2.3066 | |
| 65 | L | A | -2.4889 | |
| 66 | R | A | -2.6837 | |
| 67 | S | A | -2.2216 | |
| 68 | D | A | -2.7057 | |
| 69 | A | A | -1.1032 | |
| 70 | E | A | -1.3296 | |
| 71 | V | A | 0.0000 | |
| 72 | A | A | 0.1560 | |
| 73 | L | A | 0.8252 | |
| 74 | C | A | -0.3578 | |
| 75 | L | A | -0.3291 | |
| 76 | L | A | -0.4910 | |
| 77 | D | A | -2.4932 | |
| 78 | Q | A | -2.5371 | |
| 79 | R | A | -3.0335 | |
| 80 | K | A | -3.5596 | |
| 81 | R | A | -3.1274 | |
| 82 | L | A | -1.3335 | |
| 83 | P | A | -1.4841 | |
| 84 | S | A | -1.7489 | |
| 85 | E | A | -1.8970 | |
| 86 | P | A | -1.2027 | |
| 87 | A | A | -0.6375 | |
| 88 | T | A | -0.5587 | |
| 89 | S | A | -0.4786 | |
| 90 | G | A | -0.6486 | |
| 91 | A | A | -1.0281 | |
| 92 | G | A | -2.1057 | |
| 93 | D | A | -3.1167 | |
| 94 | K | A | -3.2251 | |
| 95 | K | A | -2.4903 | |
| 96 | I | A | 0.1899 | |
| 97 | K | A | -0.9726 | |
| 98 | F | A | 0.7006 | |
| 99 | S | A | -0.4722 | |
| 100 | Q | A | -1.5150 | |
| 101 | S | A | -0.9148 | |
| 102 | E | A | -0.8016 | |
| 103 | V | A | 0.2350 | |
| 104 | Q | A | -0.4677 | |
| 105 | T | A | -0.0797 | |
| 106 | L | A | 0.8700 | |
| 107 | I | A | 0.8715 | |
| 108 | V | A | 0.1805 | |
| 109 | Q | A | -1.2031 | |
| 110 | E | A | -1.7994 | |
| 111 | V | A | -0.7477 | |
| 112 | R | A | -2.3713 | |
| 113 | N | A | -2.9787 | |
| 114 | A | A | -2.2274 | |
| 115 | V | A | -2.1012 | |
| 116 | E | A | -3.8985 | |
| 117 | K | A | -4.0036 | |
| 118 | N | A | -3.6575 | |
| 119 | E | A | -3.6709 | |
| 120 | T | A | -2.7415 | |
| 121 | K | A | -2.8020 | |
| 122 | L | A | -1.1993 | |
| 123 | Q | A | -1.3423 | |
| 124 | G | A | -0.7032 | |
| 125 | L | A | 0.9730 | |
| 126 | I | A | 1.6086 | |
| 127 | E | A | -0.8739 | |
| 128 | T | A | 0.1374 | |
| 129 | I | A | 0.9684 | |
| 130 | Q | A | -1.1115 | |
| 131 | Q | A | -1.4900 | |
| 132 | L | A | -0.1766 | |
| 133 | D | A | -2.1537 | |
| 134 | R | A | -2.5499 | |
| 135 | G | A | -0.9847 | |
| 136 | V | A | -0.0237 | |
| 137 | D | A | -1.8012 | |
| 138 | Y | A | -0.8152 | |
| 139 | E | A | -1.9372 | |
| 140 | S | A | -1.6290 | |
| 141 | S | A | -1.0788 | |
| 142 | I | A | -1.4322 | |
| 143 | Q | A | -2.3854 | |
| 144 | K | A | -2.2558 | |
| 145 | L | A | -1.0519 | |
| 146 | E | A | -1.4688 | |
| 147 | A | A | -1.4919 | |
| 148 | R | A | -1.6823 | |
| 149 | I | A | -0.2725 | |
| 150 | N | A | -1.5705 | |
| 151 | T | A | -1.1888 | |
| 152 | I | A | -0.0090 | |
| 153 | T | A | -1.3489 | |
| 154 | E | A | -2.9648 | |
| 155 | R | A | -2.4988 | |
| 156 | A | A | -1.6338 | |
| 157 | E | A | -2.2945 | |
| 158 | A | A | -1.2364 | |
| 159 | A | A | -0.5448 | |
| 160 | L | A | -0.1061 | |
| 161 | A | A | -0.2248 | |
| 162 | C | A | 0.1176 | |
| 163 | M | A | -0.1419 | |
| 164 | T | A | -0.8400 | |
| 165 | K | A | -1.9261 | |
| 166 | T | A | -1.5469 | |
| 167 | K | A | -2.2831 | |
| 168 | S | A | -1.7286 | |
| 169 | P | A | -1.2853 | |
| 170 | P | A | -0.7938 | |
| 171 | S | A | -0.1536 | |
| 172 | S | A | 0.8500 | |
| 173 | V | A | 2.2314 | |
| 174 | V | A | 1.9050 | |
| 175 | N | A | -0.6672 | |
| 176 | G | A | -1.2226 | |
| 177 | D | A | -1.0333 | |
| 178 | I | A | 1.5015 | |
| 179 | V | A | 1.3317 | |
| 180 | R | A | -1.2087 | |
| 181 | S | A | -1.9106 | |
| 182 | E | A | -3.0520 | |
| 183 | S | A | -2.5805 | |
| 184 | K | A | -3.6137 | |
| 185 | D | A | -3.8392 | |
| 186 | E | A | -2.8051 | |
| 187 | T | A | -0.8152 | |
| 188 | V | A | 0.6158 | |
| 189 | E | A | -0.4323 | |
| 190 | T | A | 0.0170 | |
| 191 | V | A | 0.8429 | |
| 192 | S | A | -0.9236 | |
| 193 | Q | A | -1.9857 | |
| 194 | N | A | -2.4252 | |
| 195 | K | A | -3.0046 | |
| 196 | T | A | -2.1531 | |
| 197 | S | A | -1.8516 | |
| 198 | M | A | -1.3807 | |
| 199 | E | A | -3.2901 | |
| 200 | R | A | -3.6809 | |
| 201 | V | A | -2.0019 | |
| 202 | D | A | -3.8374 | |
| 203 | K | A | -4.0824 | |
| 204 | S | A | -2.8928 | |
| 205 | E | A | -3.5944 | |
| 206 | E | A | -3.9458 | |
| 207 | L | A | -1.5986 | |
| 208 | F | A | -1.3161 | |
| 209 | E | A | -3.4277 | |
| 210 | K | A | -3.1332 | |
| 211 | M | A | -2.0973 | |
| 212 | E | A | -3.3135 | |
| 213 | T | A | -3.0853 | |
| 214 | T | A | -3.1121 | |
| 215 | K | A | -4.1407 | |
| 216 | K | A | -4.7999 | |
| 217 | E | A | -4.3536 | |
| 218 | L | A | -3.5477 | |
| 219 | K | A | -4.6191 | |
| 220 | K | A | -4.7955 | |
| 221 | M | A | -3.7177 | |
| 222 | R | A | -4.0105 | |
| 223 | A | A | -3.2420 | |
| 224 | D | A | -3.1864 | |
| 225 | N | A | -2.6037 | |
| 226 | E | A | -2.5268 | |
| 227 | A | A | -0.7590 | |
| 228 | F | A | 0.5890 | |
| 229 | T | A | 0.1444 | |
| 230 | A | A | 0.0645 | |
| 231 | A | A | 0.7959 | |
| 232 | I | A | 1.1647 | |
| 233 | T | A | 0.1479 | |
| 234 | N | A | -0.8675 | |
| 235 | L | A | 0.2509 | |
| 236 | S | A | -0.8091 | |
| 237 | K | A | -2.0983 | |
| 238 | E | A | -1.9208 | |
| 239 | L | A | -0.0209 | |
| 240 | P | A | -0.1510 | |
| 241 | P | A | 0.3736 | |
| 242 | P | A | 1.1537 | |
| 243 | V | A | 2.4166 | |
| 244 | I | A | 2.4574 | |
| 245 | P | A | 0.7979 | |
| 246 | P | A | -0.2411 | |
| 247 | H | A | -1.2091 | |
| 248 | G | A | -1.2002 | |
| 249 | S | A | -1.1709 | |
| 250 | P | A | -1.7439 | |
| 251 | E | A | -3.2930 | |
| 252 | R | A | -3.7163 | |
| 253 | K | A | -2.9258 | |
| 254 | G | A | -0.5820 | |
| 255 | L | A | 2.0950 | |
| 256 | V | A | 3.0744 | |
| 257 | I | A | 2.4691 | |
| 258 | K | A | 0.0309 | |
| 259 | M | A | -0.1992 | |
| 260 | E | A | -2.0576 | |
| 261 | P | A | -2.4361 | |
| 262 | K | A | -3.4858 | |
| 263 | D | A | -3.5834 | |
| 264 | Q | A | -3.5572 | |
| 265 | Q | A | -3.6391 | |
| 266 | E | A | -3.7258 | |
| 267 | Q | A | -3.6500 | |
| 268 | E | A | -3.5327 | |
| 269 | N | A | -2.1649 | |
| 270 | S | A | -0.6344 | |
| 271 | F | A | 0.2921 | |
| 272 | E | A | -1.8484 | |
| 273 | E | A | -2.8185 | |
| 274 | S | A | -2.6844 | |
| 275 | K | A | -2.6347 | |
| 276 | Q | A | -1.8382 | |
| 277 | F | A | -0.3264 | |
| 278 | E | A | -2.4055 | |
| 279 | E | A | -2.9684 | |
| 280 | P | A | -2.5073 | |
| 281 | K | A | -2.5726 | |
| 282 | A | A | -2.0125 | |
| 283 | E | A | -2.6851 | |
| 284 | R | A | -2.3307 | |
| 285 | L | A | -0.6207 | |
| 286 | K | A | -1.7129 | |
| 287 | A | A | -1.0288 | |
| 288 | E | A | -1.4771 | |
| 289 | C | A | 0.6093 | |
| 290 | L | A | 1.3750 | |
| 291 | S | A | 0.3467 | |
| 292 | P | A | -0.5262 | |
| 293 | G | A | -1.2778 | |
| 294 | N | A | -2.1190 | |
| 295 | T | A | -1.8160 | |
| 296 | N | A | -2.6027 | |
| 297 | R | A | -3.0988 | |
| 298 | S | A | -2.5281 | |
| 299 | K | A | -2.8987 | |
| 300 | H | A | -2.4038 | |
| 301 | T | A | -1.7109 | |
| 302 | D | A | -2.2122 | |
| 303 | T | A | -1.2890 | |
| 304 | Y | A | -0.7988 | |
| 305 | E | A | -2.8317 | |
| 306 | D | A | -2.7663 | |
| 307 | K | A | -2.1337 | |
| 308 | L | A | -0.2010 | |
| 309 | L | A | 1.5512 | |
| 310 | Y | A | 1.4582 | |
| 311 | P | A | 0.6815 | |
| 312 | P | A | 0.2274 | |
| 313 | L | A | 0.3995 | |
| 314 | P | A | -0.1600 | |
| 315 | A | A | 0.2606 | |
| 316 | T | A | 0.4078 | |
| 317 | P | A | 0.6972 | |
| 318 | F | A | 2.1479 | |
| 319 | P | A | 1.5706 | |
| 320 | S | A | 1.3389 | |
| 321 | I | A | 2.4549 | |
| 322 | L | A | 1.4907 | |
| 323 | S | A | 0.1009 | |
| 324 | A | A | -0.4314 | |
| 325 | E | A | -1.4874 | |
| 326 | A | A | 0.0000 | |
| 327 | T | A | -0.3667 | |
| 328 | A | A | -0.4062 | |
| 329 | Y | A | -0.1922 | |
| 330 | N | A | -0.3742 | |
| 331 | I | A | 0.7672 | |
| 332 | P | A | 0.0000 | |
| 333 | Q | A | -1.2768 | |
| 334 | R | A | -2.7279 | |
| 335 | V | A | 0.0000 | |
| 336 | E | A | -2.9877 | |
| 337 | V | A | -1.4384 | |
| 338 | Q | A | -0.7600 | |
| 339 | L | A | 0.3521 | |
| 340 | A | A | 0.4080 | |
| 341 | L | A | 0.3853 | |
| 342 | I | A | -0.2125 | |
| 343 | R | A | -2.1847 | |
| 344 | K | A | -2.3883 | |
| 345 | P | A | -1.5584 | |
| 346 | A | A | -1.1943 | |
| 347 | T | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | 0.8980 | |
| 350 | V | A | 0.0000 | |
| 351 | L | A | 0.2714 | |
| 352 | W | A | 0.0000 | |
| 353 | K | A | -1.2598 | |
| 354 | L | A | -1.1811 | |
| 355 | G | A | -1.6615 | |
| 356 | E | A | -1.5995 | |
| 357 | I | A | 0.7015 | |
| 358 | D | A | -0.2308 | |
| 359 | P | A | -0.2592 | |
| 360 | S | A | -0.0612 | |
| 361 | A | A | 0.1633 | |
| 362 | P | A | 0.0000 | |
| 363 | P | A | -0.6005 | |
| 364 | M | A | -0.1157 | |
| 365 | D | A | -1.0666 | |
| 366 | S | A | 0.0000 | |
| 367 | Y | A | 0.0000 | |
| 368 | S | A | -0.4096 | |
| 369 | V | A | 0.0000 | |
| 370 | F | A | -0.4200 | |
| 371 | M | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | T | A | -1.0704 | |
| 374 | E | A | 0.0000 | |
| 375 | K | A | -2.2051 | |
| 376 | T | A | -1.9437 | |
| 377 | K | A | -2.6096 | |
| 378 | G | A | -1.5489 | |
| 379 | S | A | -0.7238 | |
| 380 | C | A | -0.3382 | |
| 381 | V | A | 0.5179 | |
| 382 | F | A | 0.0000 | |
| 383 | T | A | -0.4138 | |
| 384 | S | A | -0.7245 | |
| 385 | W | A | -0.7087 | |
| 386 | R | A | -1.7622 | |
| 387 | S | A | -1.1093 | |
| 388 | L | A | -0.2575 | |
| 389 | G | A | -0.8483 | |
| 390 | E | A | -1.4325 | |
| 391 | M | A | 0.4197 | |
| 392 | V | A | 1.6486 | |
| 393 | A | A | 1.1695 | |
| 394 | I | A | 2.3386 | |
| 395 | S | A | 0.8570 | |
| 396 | L | A | 0.6657 | |
| 397 | P | A | 0.1236 | |
| 398 | M | A | 0.0000 | |
| 399 | C | A | 1.0385 | |
| 400 | A | A | 0.0000 | |
| 401 | M | A | 1.2318 | |
| 402 | I | A | 0.0000 | |
| 403 | S | A | -0.7938 | |
| 404 | K | A | -1.8829 | |
| 405 | Y | A | -1.4813 | |
| 406 | K | A | -2.5376 | |
| 407 | P | A | -2.1229 | |
| 408 | G | A | -2.0108 | |
| 409 | H | A | -2.1765 | |
| 410 | K | A | -1.3850 | |
| 411 | V | A | 0.0000 | |
| 412 | C | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | A | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | G | A | 0.0000 | |
| 418 | K | A | -0.7213 | |
| 419 | D | A | 0.0000 | |
| 420 | K | A | -2.0297 | |
| 421 | F | A | -0.3209 | |
| 422 | G | A | 0.0833 | |
| 423 | R | A | 0.0000 | |
| 424 | Y | A | 0.3309 | |
| 425 | G | A | -0.0537 | |
| 426 | P | A | -0.7037 | |
| 427 | Y | A | -0.9374 | |
| 428 | S | A | 0.0000 | |
| 429 | K | A | -2.1186 | |
| 430 | V | A | -0.6238 | |
| 431 | V | A | -0.3864 | |
| 432 | T | A | -0.1441 | |
| 433 | A | A | -0.0805 | |
| 434 | A | A | -0.6918 | |
| 435 | L | A | 0.0000 | |
| 436 | P | A | -1.4467 | |
| 437 | D | A | -2.1926 |
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