| Chain sequence(s) |
A: MADAEEQTLRKRSRADQKTFKPSPKQESPSLCSPKQTKLAGDARVNIGSAFETWREVKASKGLQSDVELGLTLLDKRRMKRLSSDSSGPSDKRIKLSQSEVQTLIEQEVQTALKKRENKLLGLLGTIQELDESLNYKSSIQKLEERMNTVTRRAEAAIAFMTKTQKENPQPSLDDVEIKRADSSKDKMKIPPNVKSGIKSMEKKVQFLNLMKNSKTALTKMQEDNESLKAVIAGLTEKLPPPVPTPNGSSDCKGTHIFIKKETDHEAEKRPTVEDSKQSFELKAVKVKVEHLSSDHSSSPNQTNAKQGTLLYPPLPPTPFPSILSIEVASYNLPGRPIVNVALIKKPVGLSVLWNVEDIDPQDPPMDSYSLFMTMEKVKGSGVFPSWASLGEISAGPLPMCAMISKYKLGHTMCVVVIGKDKFGRYGPYSEIVNALIPE
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 (00:06:41)
[INFO] Main: Simulation completed successfully. (00:06:44)
|
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 | 0.7167 | |
| 2 | A | A | -0.3116 | |
| 3 | D | A | -1.9092 | |
| 4 | A | A | -2.2168 | |
| 5 | E | A | -3.3748 | |
| 6 | E | A | -3.3078 | |
| 7 | Q | A | -2.2456 | |
| 8 | T | A | -0.6301 | |
| 9 | L | A | -0.0126 | |
| 10 | R | A | -2.3030 | |
| 11 | K | A | -3.3058 | |
| 12 | R | A | -3.5861 | |
| 13 | S | A | -2.4434 | |
| 14 | R | A | -2.6624 | |
| 15 | A | A | -2.2511 | |
| 16 | D | A | -3.1021 | |
| 17 | Q | A | -2.7160 | |
| 18 | K | A | -2.4123 | |
| 19 | T | A | -0.7486 | |
| 20 | F | A | 0.4222 | |
| 21 | K | A | -1.1989 | |
| 22 | P | A | -0.9489 | |
| 23 | S | A | -1.1405 | |
| 24 | P | A | -2.0708 | |
| 25 | K | A | -3.0642 | |
| 26 | Q | A | -3.0779 | |
| 27 | E | A | -3.1734 | |
| 28 | S | A | -1.6614 | |
| 29 | P | A | -0.6067 | |
| 30 | S | A | 0.2512 | |
| 31 | L | A | 1.6298 | |
| 32 | C | A | 0.6766 | |
| 33 | S | A | -0.3080 | |
| 34 | P | A | -1.3410 | |
| 35 | K | A | -2.5292 | |
| 36 | Q | A | -2.1305 | |
| 37 | T | A | -1.7839 | |
| 38 | K | A | -2.2743 | |
| 39 | L | A | -0.4293 | |
| 40 | A | A | -1.1510 | |
| 41 | G | A | -1.7650 | |
| 42 | D | A | -2.1180 | |
| 43 | A | A | -1.2485 | |
| 44 | R | A | -1.8042 | |
| 45 | V | A | 0.1250 | |
| 46 | N | A | -0.4531 | |
| 47 | I | A | 0.3998 | |
| 48 | G | A | -0.1765 | |
| 49 | S | A | -0.3107 | |
| 50 | A | A | -0.2885 | |
| 51 | F | A | 0.0112 | |
| 52 | E | A | -1.6681 | |
| 53 | T | A | -1.0585 | |
| 54 | W | A | -0.8170 | |
| 55 | R | A | -2.2357 | |
| 56 | E | A | -2.5059 | |
| 57 | V | A | -1.0773 | |
| 58 | K | A | -2.2620 | |
| 59 | A | A | -1.6375 | |
| 60 | S | A | -1.5298 | |
| 61 | K | A | -2.3037 | |
| 62 | G | A | -1.7342 | |
| 63 | L | A | -1.4892 | |
| 64 | Q | A | -1.7399 | |
| 65 | S | A | -1.2769 | |
| 66 | D | A | -1.2555 | |
| 67 | V | A | 0.7243 | |
| 68 | E | A | -0.2639 | |
| 69 | L | A | 0.0000 | |
| 70 | G | A | 0.5754 | |
| 71 | L | A | 0.9979 | |
| 72 | T | A | -0.5482 | |
| 73 | L | A | -0.3491 | |
| 74 | L | A | -0.8361 | |
| 75 | D | A | -2.8060 | |
| 76 | K | A | -3.1732 | |
| 77 | R | A | -3.9331 | |
| 78 | R | A | -3.7829 | |
| 79 | M | A | -2.1722 | |
| 80 | K | A | -3.6844 | |
| 81 | R | A | -3.6868 | |
| 82 | L | A | -1.1547 | |
| 83 | S | A | -1.5320 | |
| 84 | S | A | -1.8865 | |
| 85 | D | A | -2.3327 | |
| 86 | S | A | -1.3133 | |
| 87 | S | A | -1.1456 | |
| 88 | G | A | -1.2095 | |
| 89 | P | A | -1.3543 | |
| 90 | S | A | -2.1425 | |
| 91 | D | A | -3.0926 | |
| 92 | K | A | -3.2240 | |
| 93 | R | A | -2.6614 | |
| 94 | I | A | -0.2105 | |
| 95 | K | A | -1.4627 | |
| 96 | L | A | -0.3605 | |
| 97 | S | A | -1.0147 | |
| 98 | Q | A | -1.6632 | |
| 99 | S | A | -1.0858 | |
| 100 | E | A | -1.3267 | |
| 101 | V | A | -0.4388 | |
| 102 | Q | A | -1.2746 | |
| 103 | T | A | -0.9276 | |
| 104 | L | A | 0.1001 | |
| 105 | I | A | -0.1490 | |
| 106 | E | A | -2.0695 | |
| 107 | Q | A | -1.9542 | |
| 108 | E | A | -1.9495 | |
| 109 | V | A | -0.7861 | |
| 110 | Q | A | -1.9172 | |
| 111 | T | A | -2.2496 | |
| 112 | A | A | -2.0986 | |
| 113 | L | A | -1.8316 | |
| 114 | K | A | -3.6681 | |
| 115 | K | A | -4.0933 | |
| 116 | R | A | -4.2309 | |
| 117 | E | A | -3.7758 | |
| 118 | N | A | -3.3330 | |
| 119 | K | A | -2.8386 | |
| 120 | L | A | -0.5418 | |
| 121 | L | A | 0.6310 | |
| 122 | G | A | 0.1369 | |
| 123 | L | A | 1.5124 | |
| 124 | L | A | 1.9567 | |
| 125 | G | A | 0.4320 | |
| 126 | T | A | 0.4353 | |
| 127 | I | A | 0.8718 | |
| 128 | Q | A | -1.5380 | |
| 129 | E | A | -2.2750 | |
| 130 | L | A | -1.0818 | |
| 131 | D | A | -2.7959 | |
| 132 | E | A | -3.2355 | |
| 133 | S | A | -1.7802 | |
| 134 | L | A | -1.3644 | |
| 135 | N | A | -2.2295 | |
| 136 | Y | A | -1.4803 | |
| 137 | K | A | -2.4080 | |
| 138 | S | A | -1.6319 | |
| 139 | S | A | -1.4869 | |
| 140 | I | A | 0.0000 | |
| 141 | Q | A | -2.5985 | |
| 142 | K | A | -2.8054 | |
| 143 | L | A | -1.9455 | |
| 144 | E | A | -2.4134 | |
| 145 | E | A | -3.3353 | |
| 146 | R | A | -3.0046 | |
| 147 | M | A | -1.9963 | |
| 148 | N | A | -2.3186 | |
| 149 | T | A | -1.9375 | |
| 150 | V | A | -0.7301 | |
| 151 | T | A | -1.7994 | |
| 152 | R | A | -3.0835 | |
| 153 | R | A | -2.6661 | |
| 154 | A | A | -1.4452 | |
| 155 | E | A | -2.1340 | |
| 156 | A | A | -0.9024 | |
| 157 | A | A | -0.1651 | |
| 158 | I | A | 0.2552 | |
| 159 | A | A | 0.3801 | |
| 160 | F | A | 1.4901 | |
| 161 | M | A | 0.7537 | |
| 162 | T | A | -0.7634 | |
| 163 | K | A | -2.1992 | |
| 164 | T | A | -2.0041 | |
| 165 | Q | A | -3.2202 | |
| 166 | K | A | -4.0073 | |
| 167 | E | A | -4.1773 | |
| 168 | N | A | -3.8335 | |
| 169 | P | A | -2.8754 | |
| 170 | Q | A | -2.2638 | |
| 171 | P | A | -1.0118 | |
| 172 | S | A | -0.7439 | |
| 173 | L | A | 0.1872 | |
| 174 | D | A | -1.8349 | |
| 175 | D | A | -1.6229 | |
| 176 | V | A | 0.2394 | |
| 177 | E | A | -1.2006 | |
| 178 | I | A | 0.1928 | |
| 179 | K | A | -1.8803 | |
| 180 | R | A | -2.8349 | |
| 181 | A | A | -1.9629 | |
| 182 | D | A | -2.3456 | |
| 183 | S | A | -1.7486 | |
| 184 | S | A | -1.9604 | |
| 185 | K | A | -2.9898 | |
| 186 | D | A | -3.4173 | |
| 187 | K | A | -2.7980 | |
| 188 | M | A | -1.0533 | |
| 189 | K | A | -1.4747 | |
| 190 | I | A | -0.0511 | |
| 191 | P | A | -0.4793 | |
| 192 | P | A | -1.1068 | |
| 193 | N | A | -1.1119 | |
| 194 | V | A | -0.0782 | |
| 195 | K | A | -1.0962 | |
| 196 | S | A | -1.3003 | |
| 197 | G | A | -0.8129 | |
| 198 | I | A | -0.3393 | |
| 199 | K | A | -2.1693 | |
| 200 | S | A | -1.7499 | |
| 201 | M | A | -1.1008 | |
| 202 | E | A | -2.7180 | |
| 203 | K | A | -3.0921 | |
| 204 | K | A | -1.7739 | |
| 205 | V | A | -0.9101 | |
| 206 | Q | A | -1.5701 | |
| 207 | F | A | -0.3376 | |
| 208 | L | A | -0.4730 | |
| 209 | N | A | -1.1922 | |
| 210 | L | A | 0.0745 | |
| 211 | M | A | -0.5512 | |
| 212 | K | A | -2.5841 | |
| 213 | N | A | -2.2052 | |
| 214 | S | A | -1.8781 | |
| 215 | K | A | -2.8160 | |
| 216 | T | A | -2.0179 | |
| 217 | A | A | -1.9221 | |
| 218 | L | A | 0.0000 | |
| 219 | T | A | -2.1319 | |
| 220 | K | A | -3.3090 | |
| 221 | M | A | -2.4015 | |
| 222 | Q | A | -3.1793 | |
| 223 | E | A | -4.1914 | |
| 224 | D | A | -3.8279 | |
| 225 | N | A | -2.8446 | |
| 226 | E | A | -3.3297 | |
| 227 | S | A | -1.5068 | |
| 228 | L | A | -0.2022 | |
| 229 | K | A | -0.7759 | |
| 230 | A | A | 0.4954 | |
| 231 | V | A | 2.3033 | |
| 232 | I | A | 1.9330 | |
| 233 | A | A | 0.8888 | |
| 234 | G | A | 0.5306 | |
| 235 | L | A | 1.5056 | |
| 236 | T | A | -0.1053 | |
| 237 | E | A | -1.7956 | |
| 238 | K | A | -1.7379 | |
| 239 | L | A | 0.1776 | |
| 240 | P | A | -0.1894 | |
| 241 | P | A | 0.0698 | |
| 242 | P | A | 0.5585 | |
| 243 | V | A | 1.3814 | |
| 244 | P | A | 0.2579 | |
| 245 | T | A | -0.2314 | |
| 246 | P | A | -0.8815 | |
| 247 | N | A | -1.7164 | |
| 248 | G | A | -1.3040 | |
| 249 | S | A | -1.1930 | |
| 250 | S | A | -1.1198 | |
| 251 | D | A | -1.9107 | |
| 252 | C | A | -1.1385 | |
| 253 | K | A | -2.0623 | |
| 254 | G | A | -1.2462 | |
| 255 | T | A | -0.3913 | |
| 256 | H | A | 0.4888 | |
| 257 | I | A | 2.6784 | |
| 258 | F | A | 2.7080 | |
| 259 | I | A | 1.7819 | |
| 260 | K | A | -1.1680 | |
| 261 | K | A | -2.7546 | |
| 262 | E | A | -3.4765 | |
| 263 | T | A | -3.0319 | |
| 264 | D | A | -3.3729 | |
| 265 | H | A | -3.2208 | |
| 266 | E | A | -3.0890 | |
| 267 | A | A | -2.6171 | |
| 268 | E | A | -3.6519 | |
| 269 | K | A | -3.5899 | |
| 270 | R | A | -3.2993 | |
| 271 | P | A | -1.7257 | |
| 272 | T | A | -0.1773 | |
| 273 | V | A | 0.3648 | |
| 274 | E | A | -1.9218 | |
| 275 | D | A | -2.8983 | |
| 276 | S | A | -2.5153 | |
| 277 | K | A | -2.6566 | |
| 278 | Q | A | -2.1412 | |
| 279 | S | A | -0.6862 | |
| 280 | F | A | 0.6648 | |
| 281 | E | A | -0.9088 | |
| 282 | L | A | 0.5257 | |
| 283 | K | A | -0.9787 | |
| 284 | A | A | -0.0228 | |
| 285 | V | A | 1.1479 | |
| 286 | K | A | -0.5597 | |
| 287 | V | A | 0.8944 | |
| 288 | K | A | -0.7790 | |
| 289 | V | A | 0.1902 | |
| 290 | E | A | -1.4671 | |
| 291 | H | A | -0.8081 | |
| 292 | L | A | 0.5251 | |
| 293 | S | A | -0.1032 | |
| 294 | S | A | -1.1102 | |
| 295 | D | A | -2.4926 | |
| 296 | H | A | -2.0976 | |
| 297 | S | A | -1.2616 | |
| 298 | S | A | -0.6846 | |
| 299 | S | A | -0.8925 | |
| 300 | P | A | -1.3422 | |
| 301 | N | A | -2.0506 | |
| 302 | Q | A | -2.2187 | |
| 303 | T | A | -1.7564 | |
| 304 | N | A | -2.0402 | |
| 305 | A | A | -1.8825 | |
| 306 | K | A | -2.6703 | |
| 307 | Q | A | -2.3418 | |
| 308 | G | A | -1.2589 | |
| 309 | T | A | -0.2489 | |
| 310 | L | A | 0.6471 | |
| 311 | L | A | 1.6465 | |
| 312 | Y | A | 1.2783 | |
| 313 | P | A | 0.5139 | |
| 314 | P | A | 0.2103 | |
| 315 | L | A | 0.5378 | |
| 316 | P | A | 0.0424 | |
| 317 | P | A | -0.0086 | |
| 318 | T | A | 0.2558 | |
| 319 | P | A | 0.5793 | |
| 320 | F | A | 2.0859 | |
| 321 | P | A | 1.5615 | |
| 322 | S | A | 1.3518 | |
| 323 | I | A | 2.6866 | |
| 324 | L | A | 2.0047 | |
| 325 | S | A | 1.0768 | |
| 326 | I | A | 1.4657 | |
| 327 | E | A | -0.6857 | |
| 328 | V | A | 0.0000 | |
| 329 | A | A | 0.1837 | |
| 330 | S | A | -0.5765 | |
| 331 | Y | A | -0.7358 | |
| 332 | N | A | -1.0334 | |
| 333 | L | A | -0.0092 | |
| 334 | P | A | 0.0000 | |
| 335 | G | A | -1.3384 | |
| 336 | R | A | -2.1613 | |
| 337 | P | A | 0.0000 | |
| 338 | I | A | -0.3966 | |
| 339 | V | A | -0.1817 | |
| 340 | N | A | -0.8011 | |
| 341 | V | A | 0.1634 | |
| 342 | A | A | 0.3972 | |
| 343 | L | A | 1.0812 | |
| 344 | I | A | 0.3666 | |
| 345 | K | A | -1.3472 | |
| 346 | K | A | -1.7289 | |
| 347 | P | A | -0.6026 | |
| 348 | V | A | 0.7436 | |
| 349 | G | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | S | A | 1.0051 | |
| 352 | V | A | 0.0000 | |
| 353 | L | A | 0.6487 | |
| 354 | W | A | 0.0000 | |
| 355 | N | A | -1.0953 | |
| 356 | V | A | -1.2535 | |
| 357 | E | A | -2.4530 | |
| 358 | D | A | -2.1746 | |
| 359 | I | A | 0.0358 | |
| 360 | D | A | -1.1504 | |
| 361 | P | A | -0.8864 | |
| 362 | Q | A | -1.1620 | |
| 363 | D | A | -1.0438 | |
| 364 | P | A | 0.0000 | |
| 365 | P | A | -0.7872 | |
| 366 | M | A | -1.0558 | |
| 367 | D | A | -2.0273 | |
| 368 | S | A | 0.0000 | |
| 369 | Y | A | 0.0000 | |
| 370 | S | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | F | A | 0.2316 | |
| 373 | M | A | 0.0000 | |
| 374 | T | A | 0.0000 | |
| 375 | M | A | -0.5641 | |
| 376 | E | A | 0.0000 | |
| 377 | K | A | -1.3826 | |
| 378 | V | A | -0.1441 | |
| 379 | K | A | -1.3184 | |
| 380 | G | A | -0.8971 | |
| 381 | S | A | -0.3093 | |
| 382 | G | A | 0.0885 | |
| 383 | V | A | 0.5132 | |
| 384 | F | A | 0.0000 | |
| 385 | P | A | -0.1159 | |
| 386 | S | A | -0.2817 | |
| 387 | W | A | 0.2239 | |
| 388 | A | A | 0.1206 | |
| 389 | S | A | -0.1661 | |
| 390 | L | A | 0.0831 | |
| 391 | G | A | -0.6993 | |
| 392 | E | A | -1.7339 | |
| 393 | I | A | -0.5408 | |
| 394 | S | A | -0.7860 | |
| 395 | A | A | -0.8535 | |
| 396 | G | A | -0.3753 | |
| 397 | P | A | -0.2631 | |
| 398 | L | A | 0.1706 | |
| 399 | P | A | 0.1186 | |
| 400 | M | A | 0.0000 | |
| 401 | C | A | 0.8594 | |
| 402 | A | A | 0.9899 | |
| 403 | M | A | 1.2151 | |
| 404 | I | A | 0.0000 | |
| 405 | S | A | -0.6795 | |
| 406 | K | A | -1.8620 | |
| 407 | Y | A | -1.1444 | |
| 408 | K | A | -1.6264 | |
| 409 | L | A | -0.2011 | |
| 410 | G | A | -0.5254 | |
| 411 | H | A | 0.0000 | |
| 412 | T | A | 0.0264 | |
| 413 | M | A | 0.0000 | |
| 414 | C | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | V | A | 0.0000 | |
| 418 | I | A | 0.0000 | |
| 419 | G | A | 0.0000 | |
| 420 | K | A | -1.0583 | |
| 421 | D | A | 0.0000 | |
| 422 | K | A | -2.0570 | |
| 423 | F | A | -0.3139 | |
| 424 | G | A | -0.0079 | |
| 425 | R | A | 0.0000 | |
| 426 | Y | A | 0.1643 | |
| 427 | G | A | -0.3865 | |
| 428 | P | A | -0.7223 | |
| 429 | Y | A | -0.5148 | |
| 430 | S | A | 0.0000 | |
| 431 | E | A | -1.7014 | |
| 432 | I | A | -0.3206 | |
| 433 | V | A | -0.4094 | |
| 434 | N | A | -0.4195 | |
| 435 | A | A | 0.0000 | |
| 436 | L | A | 0.9768 | |
| 437 | I | A | 0.0000 | |
| 438 | P | A | -0.4704 | |
| 439 | E | A | -1.5124 |
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