| Chain sequence(s) |
A: MLKKYGVATALSLLIISAPLTGAHADTINDMQKRQNEIEQKKSEIDKNIDSKNSELNHLESAEKDAAKELESLMKSLDDTNKKLKEQEDKVSSENEKLKKLQKEMEKLRNDIRDRQKVLDNRARAIQTTGTATSYLDMIFEADDFKELVDRVTVVSAIVKADQNIMQDQKDDQDKLKVAESTSEKKLENLKVLAVELEVSKNNMESQKQEKNDLVMALANKKDLTKSEQTLLASEQGALTDEEKRLASNIAGEKAKQEAAIKAAEEKRMQEAAAASSAKSAAVVKQPSSSSNEATETVSSGGGQFIKPASGILTSGFSERTNPVTGKYESHKGQDIAGGGTVTVSAAASGTVVFSGFGASGSGFGGYGYVVKIDHGNGFQTLYGHMRAGSLKVVTGQQVSQGQPIGIMGSTGQSTGQHLHFEIHKNGIPVDPAPYI
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 (00:00:01)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:11:28)
[INFO] Main: Simulation completed successfully. (00:11:32)
|
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 | 1.4772 | |
| 2 | L | A | 1.0667 | |
| 3 | K | A | -1.2692 | |
| 4 | K | A | -1.4756 | |
| 5 | Y | A | 0.4704 | |
| 6 | G | A | 0.3391 | |
| 7 | V | A | 1.6245 | |
| 8 | A | A | 1.1721 | |
| 9 | T | A | 0.8653 | |
| 10 | A | A | 1.1862 | |
| 11 | L | A | 2.0725 | |
| 12 | S | A | 2.0272 | |
| 13 | L | A | 3.5232 | |
| 14 | L | A | 4.0408 | |
| 15 | I | A | 4.1342 | |
| 16 | I | A | 3.5839 | |
| 17 | S | A | 1.7558 | |
| 18 | A | A | 1.1127 | |
| 19 | P | A | 0.6327 | |
| 20 | L | A | 1.2654 | |
| 21 | T | A | 0.2818 | |
| 22 | G | A | -0.3666 | |
| 23 | A | A | -0.6199 | |
| 24 | H | A | -1.5686 | |
| 25 | A | A | -1.5389 | |
| 26 | D | A | -2.7605 | |
| 27 | T | A | -2.1837 | |
| 28 | I | A | -2.3252 | |
| 29 | N | A | -3.1447 | |
| 30 | D | A | -3.9457 | |
| 31 | M | A | 0.0000 | |
| 32 | Q | A | -3.8145 | |
| 33 | K | A | -4.7508 | |
| 34 | R | A | -5.0346 | |
| 35 | Q | A | -4.5103 | |
| 36 | N | A | -4.7505 | |
| 37 | E | A | -5.0342 | |
| 38 | I | A | 0.0000 | |
| 39 | E | A | -4.3941 | |
| 40 | Q | A | -4.2924 | |
| 41 | K | A | -3.9179 | |
| 42 | K | A | -3.3829 | |
| 43 | S | A | -3.0594 | |
| 44 | E | A | -3.2821 | |
| 45 | I | A | 0.0000 | |
| 46 | D | A | -3.1898 | |
| 47 | K | A | -3.6714 | |
| 48 | N | A | -2.8083 | |
| 49 | I | A | -2.6041 | |
| 50 | D | A | -3.2634 | |
| 51 | S | A | -2.3843 | |
| 52 | K | A | -2.9982 | |
| 53 | N | A | -2.6282 | |
| 54 | S | A | -2.2496 | |
| 55 | E | A | -2.9089 | |
| 56 | L | A | -2.7059 | |
| 57 | N | A | -2.6899 | |
| 58 | H | A | -2.6620 | |
| 59 | L | A | -2.3218 | |
| 60 | E | A | -2.6610 | |
| 61 | S | A | -2.2634 | |
| 62 | A | A | -1.7744 | |
| 63 | E | A | -2.2159 | |
| 64 | K | A | -3.4378 | |
| 65 | D | A | -3.4519 | |
| 66 | A | A | 0.0000 | |
| 67 | A | A | -2.7949 | |
| 68 | K | A | -3.9033 | |
| 69 | E | A | -3.3915 | |
| 70 | L | A | -2.8131 | |
| 71 | E | A | -3.3447 | |
| 72 | S | A | -2.4082 | |
| 73 | L | A | -2.2406 | |
| 74 | M | A | -2.3721 | |
| 75 | K | A | -3.1097 | |
| 76 | S | A | -2.4144 | |
| 77 | L | A | 0.0000 | |
| 78 | D | A | -3.9616 | |
| 79 | D | A | -4.0886 | |
| 80 | T | A | -3.6317 | |
| 81 | N | A | -3.9172 | |
| 82 | K | A | -4.8895 | |
| 83 | K | A | -4.7514 | |
| 84 | L | A | 0.0000 | |
| 85 | K | A | -5.0108 | |
| 86 | E | A | -5.1120 | |
| 87 | Q | A | 0.0000 | |
| 88 | E | A | -4.8621 | |
| 89 | D | A | -4.6866 | |
| 90 | K | A | -3.8793 | |
| 91 | V | A | -3.3091 | |
| 92 | S | A | -2.6188 | |
| 93 | S | A | -2.7216 | |
| 94 | E | A | -3.2719 | |
| 95 | N | A | -2.8148 | |
| 96 | E | A | -3.7412 | |
| 97 | K | A | -3.5029 | |
| 98 | L | A | -3.5476 | |
| 99 | K | A | -4.1859 | |
| 100 | K | A | -4.6622 | |
| 101 | L | A | -3.6991 | |
| 102 | Q | A | -4.3488 | |
| 103 | K | A | -5.0672 | |
| 104 | E | A | -4.8109 | |
| 105 | M | A | 0.0000 | |
| 106 | E | A | -4.8725 | |
| 107 | K | A | -4.6695 | |
| 108 | L | A | -3.8616 | |
| 109 | R | A | -4.2589 | |
| 110 | N | A | -3.9969 | |
| 111 | D | A | -3.3662 | |
| 112 | I | A | -3.6842 | |
| 113 | R | A | -4.1067 | |
| 114 | D | A | -3.9610 | |
| 115 | R | A | -2.7436 | |
| 116 | Q | A | -3.0220 | |
| 117 | K | A | -3.3821 | |
| 118 | V | A | -1.6903 | |
| 119 | L | A | -2.0538 | |
| 120 | D | A | -3.2828 | |
| 121 | N | A | -2.9402 | |
| 122 | R | A | -2.1219 | |
| 123 | A | A | -1.9038 | |
| 124 | R | A | -2.8439 | |
| 125 | A | A | -1.4921 | |
| 126 | I | A | -0.4981 | |
| 127 | Q | A | -1.5879 | |
| 128 | T | A | -0.9639 | |
| 129 | T | A | -0.4834 | |
| 130 | G | A | -0.4820 | |
| 131 | T | A | 0.1296 | |
| 132 | A | A | 0.1626 | |
| 133 | T | A | 0.0932 | |
| 134 | S | A | 0.0393 | |
| 135 | Y | A | 0.8080 | |
| 136 | L | A | 1.1489 | |
| 137 | D | A | -0.6868 | |
| 138 | M | A | 0.1661 | |
| 139 | I | A | 0.9104 | |
| 140 | F | A | 0.6851 | |
| 141 | E | A | -1.7223 | |
| 142 | A | A | -1.5743 | |
| 143 | D | A | -2.6871 | |
| 144 | D | A | -2.1002 | |
| 145 | F | A | 0.0822 | |
| 146 | K | A | -1.4456 | |
| 147 | E | A | -1.4710 | |
| 148 | L | A | 0.3406 | |
| 149 | V | A | 1.0764 | |
| 150 | D | A | -0.5132 | |
| 151 | R | A | 0.5494 | |
| 152 | V | A | 1.6610 | |
| 153 | T | A | 0.8184 | |
| 154 | V | A | 1.2386 | |
| 155 | V | A | 0.0000 | |
| 156 | S | A | 0.3509 | |
| 157 | A | A | 0.3909 | |
| 158 | I | A | 0.3750 | |
| 159 | V | A | -0.0079 | |
| 160 | K | A | -1.7587 | |
| 161 | A | A | -1.2966 | |
| 162 | D | A | -1.7125 | |
| 163 | Q | A | -2.5591 | |
| 164 | N | A | -2.9123 | |
| 165 | I | A | -1.8199 | |
| 166 | M | A | -2.1921 | |
| 167 | Q | A | -3.1519 | |
| 168 | D | A | -3.6790 | |
| 169 | Q | A | 0.0000 | |
| 170 | K | A | -3.9128 | |
| 171 | D | A | -4.0757 | |
| 172 | D | A | 0.0000 | |
| 173 | Q | A | -3.5686 | |
| 174 | D | A | -3.9792 | |
| 175 | K | A | -3.2002 | |
| 176 | L | A | 0.0000 | |
| 177 | K | A | -2.3557 | |
| 178 | V | A | -0.3156 | |
| 179 | A | A | -0.9668 | |
| 180 | E | A | -1.4247 | |
| 181 | S | A | -1.3769 | |
| 182 | T | A | -1.4168 | |
| 183 | S | A | -2.2803 | |
| 184 | E | A | -3.6591 | |
| 185 | K | A | -4.2388 | |
| 186 | K | A | -3.8056 | |
| 187 | L | A | -3.0035 | |
| 188 | E | A | -3.2625 | |
| 189 | N | A | -2.6610 | |
| 190 | L | A | 0.0000 | |
| 191 | K | A | -1.5706 | |
| 192 | V | A | 0.4175 | |
| 193 | L | A | 0.0799 | |
| 194 | A | A | -1.3554 | |
| 195 | V | A | -0.0666 | |
| 196 | E | A | -1.4329 | |
| 197 | L | A | 0.0000 | |
| 198 | E | A | -1.5068 | |
| 199 | V | A | -1.2699 | |
| 200 | S | A | -1.4283 | |
| 201 | K | A | -1.8388 | |
| 202 | N | A | -1.5255 | |
| 203 | N | A | 0.0000 | |
| 204 | M | A | -1.0783 | |
| 205 | E | A | -1.7223 | |
| 206 | S | A | 0.0000 | |
| 207 | Q | A | -1.4642 | |
| 208 | K | A | -1.7621 | |
| 209 | Q | A | -1.4791 | |
| 210 | E | A | -1.1849 | |
| 211 | K | A | -1.4319 | |
| 212 | N | A | -0.5813 | |
| 213 | D | A | -0.3367 | |
| 214 | L | A | 0.2535 | |
| 215 | V | A | -0.1808 | |
| 216 | M | A | 0.4250 | |
| 217 | A | A | -0.2326 | |
| 218 | L | A | -0.8342 | |
| 219 | A | A | -1.0773 | |
| 220 | N | A | -1.9386 | |
| 221 | K | A | -2.1847 | |
| 222 | K | A | -2.8748 | |
| 223 | D | A | -2.7921 | |
| 224 | L | A | -1.1463 | |
| 225 | T | A | -1.9420 | |
| 226 | K | A | -2.5085 | |
| 227 | S | A | -1.3759 | |
| 228 | E | A | -1.6752 | |
| 229 | Q | A | -1.4847 | |
| 230 | T | A | -0.3463 | |
| 231 | L | A | 0.3393 | |
| 232 | L | A | -0.5733 | |
| 233 | A | A | -0.5219 | |
| 234 | S | A | -0.5438 | |
| 235 | E | A | -1.3309 | |
| 236 | Q | A | -1.7051 | |
| 237 | G | A | -1.2449 | |
| 238 | A | A | -1.5285 | |
| 239 | L | A | -2.1101 | |
| 240 | T | A | -2.3740 | |
| 241 | D | A | -3.2831 | |
| 242 | E | A | -2.7075 | |
| 243 | E | A | -3.6132 | |
| 244 | K | A | -3.7147 | |
| 245 | R | A | -3.7660 | |
| 246 | L | A | 0.0000 | |
| 247 | A | A | -2.2543 | |
| 248 | S | A | -2.3619 | |
| 249 | N | A | -2.5893 | |
| 250 | I | A | 0.0000 | |
| 251 | A | A | -1.7206 | |
| 252 | G | A | -2.3853 | |
| 253 | E | A | -3.0985 | |
| 254 | K | A | -3.1410 | |
| 255 | A | A | -2.6029 | |
| 256 | K | A | -3.3656 | |
| 257 | Q | A | -2.9447 | |
| 258 | E | A | -3.1506 | |
| 259 | A | A | -2.2854 | |
| 260 | A | A | -2.0172 | |
| 261 | I | A | -1.8423 | |
| 262 | K | A | -3.4340 | |
| 263 | A | A | -2.5591 | |
| 264 | A | A | -3.1034 | |
| 265 | E | A | -4.2024 | |
| 266 | E | A | -4.4064 | |
| 267 | K | A | -4.5586 | |
| 268 | R | A | -4.2692 | |
| 269 | M | A | -2.3700 | |
| 270 | Q | A | -3.2734 | |
| 271 | E | A | -3.2891 | |
| 272 | A | A | -1.6511 | |
| 273 | A | A | -0.9995 | |
| 274 | A | A | -0.7793 | |
| 275 | A | A | -0.7882 | |
| 276 | S | A | -0.4437 | |
| 277 | S | A | -0.6015 | |
| 278 | A | A | -0.9299 | |
| 279 | K | A | -1.8026 | |
| 280 | S | A | -0.9679 | |
| 281 | A | A | -0.0329 | |
| 282 | A | A | 1.2717 | |
| 283 | V | A | 2.3049 | |
| 284 | V | A | 1.5079 | |
| 285 | K | A | -1.0750 | |
| 286 | Q | A | -1.8261 | |
| 287 | P | A | -1.3202 | |
| 288 | S | A | -0.6968 | |
| 289 | S | A | -0.5046 | |
| 290 | S | A | -0.7081 | |
| 291 | S | A | -1.3113 | |
| 292 | N | A | -2.2345 | |
| 293 | E | A | -2.4176 | |
| 294 | A | A | -1.4366 | |
| 295 | T | A | -1.2371 | |
| 296 | E | A | -1.5608 | |
| 297 | T | A | -0.0858 | |
| 298 | V | A | 1.2839 | |
| 299 | S | A | 0.3658 | |
| 300 | S | A | -0.3354 | |
| 301 | G | A | -0.9137 | |
| 302 | G | A | -1.0580 | |
| 303 | G | A | -0.9559 | |
| 304 | Q | A | -1.1041 | |
| 305 | F | A | -0.1643 | |
| 306 | I | A | 0.1128 | |
| 307 | K | A | -0.7272 | |
| 308 | P | A | 0.0000 | |
| 309 | A | A | 0.0000 | |
| 310 | S | A | -0.0390 | |
| 311 | G | A | 0.7157 | |
| 312 | I | A | 2.3053 | |
| 313 | L | A | 1.8755 | |
| 314 | T | A | 0.8975 | |
| 315 | S | A | 0.4857 | |
| 316 | G | A | -0.2406 | |
| 317 | F | A | -0.3625 | |
| 318 | S | A | -1.2931 | |
| 319 | E | A | -2.0393 | |
| 320 | R | A | -1.4053 | |
| 321 | T | A | -0.8733 | |
| 322 | N | A | -0.8419 | |
| 323 | P | A | -0.2827 | |
| 324 | V | A | 0.3369 | |
| 325 | T | A | -0.1646 | |
| 326 | G | A | -0.7130 | |
| 327 | K | A | -1.3848 | |
| 328 | Y | A | -0.4073 | |
| 329 | E | A | -1.2130 | |
| 330 | S | A | -1.1933 | |
| 331 | H | A | 0.0000 | |
| 332 | K | A | -0.9395 | |
| 333 | G | A | 0.0000 | |
| 334 | Q | A | 0.0000 | |
| 335 | D | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | A | A | 0.4952 | |
| 338 | G | A | -0.0483 | |
| 339 | G | A | -0.6900 | |
| 340 | G | A | -0.7311 | |
| 341 | T | A | -0.3924 | |
| 342 | V | A | -0.2741 | |
| 343 | T | A | -0.0377 | |
| 344 | V | A | 0.0000 | |
| 345 | S | A | -0.5943 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | A | A | -0.7216 | |
| 349 | S | A | -1.1301 | |
| 350 | G | A | -0.9848 | |
| 351 | T | A | -0.7596 | |
| 352 | V | A | 0.0000 | |
| 353 | V | A | 0.8547 | |
| 354 | F | A | 0.8091 | |
| 355 | S | A | 0.0000 | |
| 356 | G | A | 0.0000 | |
| 357 | F | A | -0.3563 | |
| 358 | G | A | 0.0000 | |
| 359 | A | A | -0.6491 | |
| 360 | S | A | -0.8447 | |
| 361 | G | A | -0.8300 | |
| 362 | S | A | -0.6190 | |
| 363 | G | A | -0.6723 | |
| 364 | F | A | -0.2530 | |
| 365 | G | A | -0.7655 | |
| 366 | G | A | -0.7247 | |
| 367 | Y | A | -0.3215 | |
| 368 | G | A | 0.0000 | |
| 369 | Y | A | 0.0000 | |
| 370 | V | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | K | A | 0.1941 | |
| 373 | I | A | 0.0000 | |
| 374 | D | A | -0.7840 | |
| 375 | H | A | -1.0572 | |
| 376 | G | A | -1.3534 | |
| 377 | N | A | -1.8732 | |
| 378 | G | A | -1.5639 | |
| 379 | F | A | -1.0839 | |
| 380 | Q | A | -0.7734 | |
| 381 | T | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | Y | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | M | A | 0.0000 | |
| 387 | R | A | -1.1953 | |
| 388 | A | A | -0.7546 | |
| 389 | G | A | -0.9419 | |
| 390 | S | A | -0.6874 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.3079 | |
| 393 | V | A | 0.0000 | |
| 394 | V | A | -0.5039 | |
| 395 | T | A | 0.0672 | |
| 396 | G | A | -0.4717 | |
| 397 | Q | A | -0.6792 | |
| 398 | Q | A | -1.4557 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | -1.1321 | |
| 401 | Q | A | -1.0726 | |
| 402 | G | A | -0.8959 | |
| 403 | Q | A | -0.9644 | |
| 404 | P | A | -0.6491 | |
| 405 | I | A | 0.0000 | |
| 406 | G | A | 0.0000 | |
| 407 | I | A | -0.3216 | |
| 408 | M | A | 0.0000 | |
| 409 | G | A | 0.0000 | |
| 410 | S | A | -0.9491 | |
| 411 | T | A | -0.8762 | |
| 412 | G | A | -1.0513 | |
| 413 | Q | A | -0.9208 | |
| 414 | S | A | -0.6074 | |
| 415 | T | A | -0.3669 | |
| 416 | G | A | -0.7372 | |
| 417 | Q | A | -1.0002 | |
| 418 | H | A | -0.2548 | |
| 419 | L | A | 0.0000 | |
| 420 | H | A | 0.0000 | |
| 421 | F | A | 0.0000 | |
| 422 | E | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | H | A | 0.0000 | |
| 425 | K | A | -0.9846 | |
| 426 | N | A | -1.4949 | |
| 427 | G | A | -0.3756 | |
| 428 | I | A | 1.0700 | |
| 429 | P | A | 0.2441 | |
| 430 | V | A | 0.0821 | |
| 431 | D | A | -0.4988 | |
| 432 | P | A | 0.0000 | |
| 433 | A | A | -0.6358 | |
| 434 | P | A | -0.8275 | |
| 435 | Y | A | -0.5735 | |
| 436 | I | A | -0.2736 |
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