| Chain sequence(s) | MSGAWKARQTPVEGCGAGLRIPGEAAPAPAAALGALPRLLPRDPRRPTHPPSFPGPPLLPPSSLVGPGAAEHGGGRRSRARLPRKTTGLAGRQARCAIPGGGGNGGGDRGDCSGQLSPIPCAPASRRAAKQPAVPGSPSPRAHGRAQGTIAATAMGKPARKGCEWKRFLKNNWLLLSTVAAVVLGITTGVLVREHSNLSTLEKFYFAFPGEILMRMLKLIILPLIISSMITGVAALDSNVSGKIGLRAVVYYFCTTLIAVILGIVLVVSIKPGVTQKVAEIDRTGSTPEVSTVDAMLDLIRNMFPENLVQACFQQYKTKREEVKPPRDPETNMTEESFTAVMTTAISKNKTKEYKIIGMYSDGINVLGLIVFCLVFGLVIGKMGEKGQILVDFFNALSDATMKIVQIIMCYMPLGILFLIAGKIIEVEDWEIFRKLGLYMATVLTGLAIHSIVILPLIYFIVVRKNPFRFAMGMAQALLTALMISSSSATLPVTFRCAEEKNQVDKRITRFVLPVGATINMDGTALYEAVAAVFIAQLNDLDLGIGQIITIRDRFRTMVNVLGDAFGTGIVEKLSKKELEQMDVSSEVNIVNPFALESTILDNEDSDTKKSYVNGGFAVDKSDTISFTQTSQF input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | 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] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:04)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2547f803e8bc79/tmp/folded.pdb (00:08:04)
[INFO] Main: Simulation completed successfully. (00:17:42)
|
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 | 0.8334 | |
| 2 | S | A | 0.2282 | |
| 3 | G | A | -0.1958 | |
| 4 | A | A | 0.1141 | |
| 5 | W | A | 0.2744 | |
| 6 | K | A | -1.5833 | |
| 7 | A | A | -1.6447 | |
| 8 | R | A | -2.8335 | |
| 9 | Q | A | -2.1713 | |
| 10 | T | A | -0.8306 | |
| 11 | P | A | -0.0683 | |
| 12 | V | A | 0.6602 | |
| 13 | E | A | -1.1024 | |
| 14 | G | A | -0.7046 | |
| 15 | C | A | -0.0883 | |
| 16 | G | A | -0.2581 | |
| 17 | A | A | 0.0621 | |
| 18 | G | A | -0.1605 | |
| 19 | L | A | 0.8462 | |
| 20 | R | A | -0.3098 | |
| 21 | I | A | 0.9414 | |
| 22 | P | A | -0.2091 | |
| 23 | G | A | -1.1321 | |
| 24 | E | A | -1.8768 | |
| 25 | A | A | -0.9719 | |
| 26 | A | A | -0.3977 | |
| 27 | P | A | -0.4389 | |
| 28 | A | A | -0.1546 | |
| 29 | P | A | -0.2472 | |
| 30 | A | A | -0.0428 | |
| 31 | A | A | 0.3981 | |
| 32 | A | A | 0.8791 | |
| 33 | L | A | 1.3769 | |
| 34 | G | A | 0.6538 | |
| 35 | A | A | 0.8171 | |
| 36 | L | A | 1.0820 | |
| 37 | P | A | -0.0245 | |
| 38 | R | A | -0.5102 | |
| 39 | L | A | 1.2454 | |
| 40 | L | A | 1.3742 | |
| 41 | P | A | -0.6533 | |
| 42 | R | A | -2.6390 | |
| 43 | D | A | -3.5230 | |
| 44 | P | A | -2.8844 | |
| 45 | R | A | -3.5613 | |
| 46 | R | A | -3.1365 | |
| 47 | P | A | -1.7887 | |
| 48 | T | A | -1.1965 | |
| 49 | H | A | -1.2885 | |
| 50 | P | A | -0.9157 | |
| 51 | P | A | -0.2958 | |
| 52 | S | A | 0.3097 | |
| 53 | F | A | 1.5574 | |
| 54 | P | A | 0.2828 | |
| 55 | G | A | -0.2056 | |
| 56 | P | A | -0.3114 | |
| 57 | P | A | 0.5519 | |
| 58 | L | A | 1.9711 | |
| 59 | L | A | 2.0341 | |
| 60 | P | A | 0.6541 | |
| 61 | P | A | 0.1637 | |
| 62 | S | A | 0.1864 | |
| 63 | S | A | 0.8041 | |
| 64 | L | A | 2.1040 | |
| 65 | V | A | 2.1170 | |
| 66 | G | A | 0.4649 | |
| 67 | P | A | -0.1923 | |
| 68 | G | A | -0.4829 | |
| 69 | A | A | -0.6075 | |
| 70 | A | A | -1.1360 | |
| 71 | E | A | -2.3572 | |
| 72 | H | A | -2.1977 | |
| 73 | G | A | -1.6492 | |
| 74 | G | A | -1.5146 | |
| 75 | G | A | -2.0768 | |
| 76 | R | A | -3.0884 | |
| 77 | R | A | -3.3553 | |
| 78 | S | A | -2.5594 | |
| 79 | R | A | -2.7177 | |
| 80 | A | A | -1.5194 | |
| 81 | R | A | -1.5034 | |
| 82 | L | A | 0.1587 | |
| 83 | P | A | -1.0284 | |
| 84 | R | A | -2.5788 | |
| 85 | K | A | -2.8134 | |
| 86 | T | A | -1.3954 | |
| 87 | T | A | -0.4038 | |
| 88 | G | A | 0.2099 | |
| 89 | L | A | 1.2398 | |
| 90 | A | A | 0.1915 | |
| 91 | G | A | -1.1814 | |
| 92 | R | A | -2.6872 | |
| 93 | Q | A | -2.6354 | |
| 94 | A | A | -1.6371 | |
| 95 | R | A | -1.6831 | |
| 96 | C | A | 0.3014 | |
| 97 | A | A | 0.9216 | |
| 98 | I | A | 1.8796 | |
| 99 | P | A | 0.4029 | |
| 100 | G | A | -0.4170 | |
| 101 | G | A | -0.9152 | |
| 102 | G | A | -1.4531 | |
| 103 | G | A | -1.6157 | |
| 104 | N | A | -2.0229 | |
| 105 | G | A | -1.7062 | |
| 106 | G | A | -1.6513 | |
| 107 | G | A | -2.2070 | |
| 108 | D | A | -3.1089 | |
| 109 | R | A | -3.4091 | |
| 110 | G | A | -2.4438 | |
| 111 | D | A | -2.1037 | |
| 112 | C | A | -0.4210 | |
| 113 | S | A | -0.6882 | |
| 114 | G | A | -0.7208 | |
| 115 | Q | A | -0.7861 | |
| 116 | L | A | 0.7101 | |
| 117 | S | A | 0.5428 | |
| 118 | P | A | 0.8218 | |
| 119 | I | A | 1.8714 | |
| 120 | P | A | 1.1578 | |
| 121 | C | A | 1.0218 | |
| 122 | A | A | 0.2281 | |
| 123 | P | A | -0.2811 | |
| 124 | A | A | -0.5817 | |
| 125 | S | A | -1.5470 | |
| 126 | R | A | -2.8335 | |
| 127 | R | A | -2.7495 | |
| 128 | A | A | -1.7073 | |
| 129 | A | A | -1.6074 | |
| 130 | K | A | -2.2883 | |
| 131 | Q | A | -2.1264 | |
| 132 | P | A | -0.8993 | |
| 133 | A | A | 0.4911 | |
| 134 | V | A | 1.5142 | |
| 135 | P | A | 0.4753 | |
| 136 | G | A | -0.3639 | |
| 137 | S | A | -0.6659 | |
| 138 | P | A | -0.6202 | |
| 139 | S | A | -0.8977 | |
| 140 | P | A | -1.2862 | |
| 141 | R | A | -2.1888 | |
| 142 | A | A | -1.5435 | |
| 143 | H | A | -1.9279 | |
| 144 | G | A | -1.8066 | |
| 145 | R | A | -2.4985 | |
| 146 | A | A | -1.6293 | |
| 147 | Q | A | -1.6200 | |
| 148 | G | A | -0.5511 | |
| 149 | T | A | 0.4348 | |
| 150 | I | A | 1.7751 | |
| 151 | A | A | 0.9755 | |
| 152 | A | A | 0.7465 | |
| 153 | T | A | 0.5010 | |
| 154 | A | A | 0.2200 | |
| 155 | M | A | 0.3485 | |
| 156 | G | A | -0.8276 | |
| 157 | K | A | -1.9861 | |
| 158 | P | A | -1.7264 | |
| 159 | A | A | -2.1242 | |
| 160 | R | A | -3.1619 | |
| 161 | K | A | -3.2209 | |
| 162 | G | A | -2.5454 | |
| 163 | C | A | -2.2250 | |
| 164 | E | A | -2.9952 | |
| 165 | W | A | -1.5498 | |
| 166 | K | A | -2.8350 | |
| 167 | R | A | -2.9827 | |
| 168 | F | A | -0.7328 | |
| 169 | L | A | -0.9692 | |
| 170 | K | A | -2.5382 | |
| 171 | N | A | -1.9234 | |
| 172 | N | A | -0.5880 | |
| 173 | W | A | 0.3647 | |
| 174 | L | A | 0.6441 | |
| 175 | L | A | 1.0575 | |
| 176 | L | A | 0.9411 | |
| 177 | S | A | 1.3119 | |
| 178 | T | A | 0.0000 | |
| 179 | V | A | 2.0594 | |
| 180 | A | A | 1.8091 | |
| 181 | A | A | 0.0000 | |
| 182 | V | A | 2.3838 | |
| 183 | V | A | 3.0898 | |
| 184 | L | A | 2.8087 | |
| 185 | G | A | 0.0000 | |
| 186 | I | A | 2.6487 | |
| 187 | T | A | 2.2462 | |
| 188 | T | A | 1.7230 | |
| 189 | G | A | 0.0000 | |
| 190 | V | A | 1.5452 | |
| 191 | L | A | 1.2571 | |
| 192 | V | A | -0.0345 | |
| 193 | R | A | -1.3499 | |
| 194 | E | A | -1.8909 | |
| 195 | H | A | -1.6188 | |
| 196 | S | A | -1.4383 | |
| 197 | N | A | -2.0057 | |
| 198 | L | A | -0.7574 | |
| 199 | S | A | 0.0049 | |
| 200 | T | A | 0.4429 | |
| 201 | L | A | 1.8205 | |
| 202 | E | A | 0.5259 | |
| 203 | K | A | 0.4806 | |
| 204 | F | A | 2.6953 | |
| 205 | Y | A | 2.7035 | |
| 206 | F | A | 1.9188 | |
| 207 | A | A | 1.6772 | |
| 208 | F | A | 2.6064 | |
| 209 | P | A | 1.3187 | |
| 210 | G | A | 0.0000 | |
| 211 | E | A | 0.4041 | |
| 212 | I | A | 0.0529 | |
| 213 | L | A | 0.0000 | |
| 214 | M | A | -0.6071 | |
| 215 | R | A | -1.6288 | |
| 216 | M | A | -0.2466 | |
| 217 | L | A | 0.0000 | |
| 218 | K | A | -0.8147 | |
| 219 | L | A | 0.6353 | |
| 220 | I | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | L | A | 0.8631 | |
| 223 | P | A | 0.6029 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | I | A | 0.8238 | |
| 227 | S | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | M | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | T | A | 0.0000 | |
| 232 | G | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | A | A | -0.0403 | |
| 235 | A | A | -0.7448 | |
| 236 | L | A | -0.7698 | |
| 237 | D | A | -2.2466 | |
| 238 | S | A | -1.5439 | |
| 239 | N | A | -1.9116 | |
| 240 | V | A | -0.7792 | |
| 241 | S | A | 0.0000 | |
| 242 | G | A | -1.4061 | |
| 243 | K | A | -1.8467 | |
| 244 | I | A | -0.3568 | |
| 245 | G | A | 0.2480 | |
| 246 | L | A | 0.7502 | |
| 247 | R | A | -0.6749 | |
| 248 | A | A | 0.6219 | |
| 249 | V | A | 1.6473 | |
| 250 | V | A | 2.0215 | |
| 251 | Y | A | 1.7333 | |
| 252 | Y | A | 0.0000 | |
| 253 | F | A | 1.9889 | |
| 254 | C | A | 1.7405 | |
| 255 | T | A | 0.0000 | |
| 256 | T | A | 1.0099 | |
| 257 | L | A | 1.0781 | |
| 258 | I | A | 1.4065 | |
| 259 | A | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | I | A | 1.6431 | |
| 262 | L | A | 1.6672 | |
| 263 | G | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 2.3782 | |
| 266 | L | A | 1.3335 | |
| 267 | V | A | 0.0000 | |
| 268 | V | A | 1.0012 | |
| 269 | S | A | 0.6557 | |
| 270 | I | A | 0.9521 | |
| 271 | K | A | 0.0709 | |
| 272 | P | A | 0.0000 | |
| 273 | G | A | 0.0000 | |
| 274 | V | A | 0.7809 | |
| 275 | T | A | 0.3176 | |
| 276 | Q | A | -0.5227 | |
| 277 | K | A | -1.4762 | |
| 278 | V | A | -0.5236 | |
| 279 | A | A | -1.0437 | |
| 280 | E | A | -2.2738 | |
| 281 | I | A | -1.6201 | |
| 282 | D | A | -2.7292 | |
| 283 | R | A | -2.7967 | |
| 284 | T | A | -1.6911 | |
| 285 | G | A | -1.4177 | |
| 286 | S | A | -1.0526 | |
| 287 | T | A | -0.6328 | |
| 288 | P | A | -0.9610 | |
| 289 | E | A | -1.3970 | |
| 290 | V | A | 0.7000 | |
| 291 | S | A | 0.6613 | |
| 292 | T | A | 1.1083 | |
| 293 | V | A | 2.5717 | |
| 294 | D | A | 1.7093 | |
| 295 | A | A | 1.7005 | |
| 296 | M | A | 2.4331 | |
| 297 | L | A | 2.4527 | |
| 298 | D | A | 1.5123 | |
| 299 | L | A | 2.4888 | |
| 300 | I | A | 2.3792 | |
| 301 | R | A | 0.7628 | |
| 302 | N | A | 0.0000 | |
| 303 | M | A | 1.7384 | |
| 304 | F | A | 1.8753 | |
| 305 | P | A | 0.0593 | |
| 306 | E | A | -1.6710 | |
| 307 | N | A | -0.9634 | |
| 308 | L | A | 0.9741 | |
| 309 | V | A | 1.7176 | |
| 310 | Q | A | 0.5072 | |
| 311 | A | A | 0.0000 | |
| 312 | C | A | 1.4385 | |
| 313 | F | A | 1.7428 | |
| 314 | Q | A | 0.0494 | |
| 315 | Q | A | -0.4448 | |
| 316 | Y | A | -0.5867 | |
| 317 | K | A | -0.5513 | |
| 318 | T | A | -0.5076 | |
| 319 | K | A | -1.5697 | |
| 320 | R | A | -2.2630 | |
| 321 | E | A | -3.1071 | |
| 322 | E | A | -3.6878 | |
| 323 | V | A | -2.4370 | |
| 324 | K | A | -3.0878 | |
| 325 | P | A | -2.3645 | |
| 326 | P | A | -2.1313 | |
| 327 | R | A | -3.4747 | |
| 328 | D | A | -3.3607 | |
| 329 | P | A | -2.6831 | |
| 330 | E | A | -2.8690 | |
| 331 | T | A | -1.6312 | |
| 332 | N | A | -1.5276 | |
| 333 | M | A | -0.4464 | |
| 334 | T | A | -1.1857 | |
| 335 | E | A | -2.5122 | |
| 336 | E | A | -2.2427 | |
| 337 | S | A | -0.5836 | |
| 338 | F | A | 1.4110 | |
| 339 | T | A | 1.3492 | |
| 340 | A | A | 1.6083 | |
| 341 | V | A | 2.5018 | |
| 342 | M | A | 1.8736 | |
| 343 | T | A | 1.2618 | |
| 344 | T | A | 1.0804 | |
| 345 | A | A | 1.0335 | |
| 346 | I | A | 1.1686 | |
| 347 | S | A | -0.7272 | |
| 348 | K | A | -2.3358 | |
| 349 | N | A | -2.9404 | |
| 350 | K | A | -3.6711 | |
| 351 | T | A | -2.7157 | |
| 352 | K | A | -3.9227 | |
| 353 | E | A | -3.6395 | |
| 354 | Y | A | -2.4062 | |
| 355 | K | A | -2.5183 | |
| 356 | I | A | -0.7333 | |
| 357 | I | A | -0.2190 | |
| 358 | G | A | -0.2169 | |
| 359 | M | A | 0.0972 | |
| 360 | Y | A | 0.1278 | |
| 361 | S | A | -0.7106 | |
| 362 | D | A | -1.3515 | |
| 363 | G | A | -0.3278 | |
| 364 | I | A | 0.5996 | |
| 365 | N | A | 0.0000 | |
| 366 | V | A | 0.8701 | |
| 367 | L | A | 1.2493 | |
| 368 | G | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | V | A | 1.8673 | |
| 372 | F | A | 2.3972 | |
| 373 | C | A | 0.0000 | |
| 374 | L | A | 2.1598 | |
| 375 | V | A | 3.1692 | |
| 376 | F | A | 2.3116 | |
| 377 | G | A | 0.0000 | |
| 378 | L | A | 1.6572 | |
| 379 | V | A | 1.9436 | |
| 380 | I | A | 0.0000 | |
| 381 | G | A | -1.0748 | |
| 382 | K | A | -1.7729 | |
| 383 | M | A | -1.2560 | |
| 384 | G | A | -2.0809 | |
| 385 | E | A | -2.8870 | |
| 386 | K | A | -2.5409 | |
| 387 | G | A | 0.0000 | |
| 388 | Q | A | -1.3767 | |
| 389 | I | A | 0.8769 | |
| 390 | L | A | 0.7141 | |
| 391 | V | A | -0.1118 | |
| 392 | D | A | -0.3571 | |
| 393 | F | A | 1.3456 | |
| 394 | F | A | 0.5873 | |
| 395 | N | A | -0.4988 | |
| 396 | A | A | -0.1467 | |
| 397 | L | A | 0.3817 | |
| 398 | S | A | 0.0000 | |
| 399 | D | A | -1.2154 | |
| 400 | A | A | -0.6224 | |
| 401 | T | A | 0.0000 | |
| 402 | M | A | -0.5227 | |
| 403 | K | A | -1.0751 | |
| 404 | I | A | 0.6894 | |
| 405 | V | A | 0.0000 | |
| 406 | Q | A | 0.3557 | |
| 407 | I | A | 2.0305 | |
| 408 | I | A | 0.0000 | |
| 409 | M | A | 0.0000 | |
| 410 | C | A | 1.5749 | |
| 411 | Y | A | 1.3713 | |
| 412 | M | A | 0.0000 | |
| 413 | P | A | 1.1651 | |
| 414 | L | A | 1.4939 | |
| 415 | G | A | 0.0000 | |
| 416 | I | A | 0.0000 | |
| 417 | L | A | 1.7748 | |
| 418 | F | A | 1.3411 | |
| 419 | L | A | 0.7671 | |
| 420 | I | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | G | A | 0.0000 | |
| 423 | K | A | -1.5006 | |
| 424 | I | A | -0.4248 | |
| 425 | I | A | 0.0000 | |
| 426 | E | A | -2.5294 | |
| 427 | V | A | -1.5590 | |
| 428 | E | A | -2.5453 | |
| 429 | D | A | -1.8894 | |
| 430 | W | A | -0.2320 | |
| 431 | E | A | -1.4783 | |
| 432 | I | A | 0.2845 | |
| 433 | F | A | 0.6878 | |
| 434 | R | A | -1.3776 | |
| 435 | K | A | -0.8312 | |
| 436 | L | A | 0.2329 | |
| 437 | G | A | 0.2719 | |
| 438 | L | A | 0.6624 | |
| 439 | Y | A | 0.0000 | |
| 440 | M | A | 1.0528 | |
| 441 | A | A | 1.2295 | |
| 442 | T | A | 0.0000 | |
| 443 | V | A | 0.0000 | |
| 444 | L | A | 2.0755 | |
| 445 | T | A | 1.1167 | |
| 446 | G | A | 0.0000 | |
| 447 | L | A | 1.7935 | |
| 448 | A | A | 1.8470 | |
| 449 | I | A | 2.3413 | |
| 450 | H | A | 0.0000 | |
| 451 | S | A | 1.8895 | |
| 452 | I | A | 3.5891 | |
| 453 | V | A | 3.6411 | |
| 454 | I | A | 2.8692 | |
| 455 | L | A | 2.4189 | |
| 456 | P | A | 2.8235 | |
| 457 | L | A | 3.7089 | |
| 458 | I | A | 3.2067 | |
| 459 | Y | A | 2.4512 | |
| 460 | F | A | 2.5098 | |
| 461 | I | A | 3.4537 | |
| 462 | V | A | 3.0459 | |
| 463 | V | A | 1.1086 | |
| 464 | R | A | -0.7492 | |
| 465 | K | A | -1.9583 | |
| 466 | N | A | -1.7478 | |
| 467 | P | A | 0.0000 | |
| 468 | F | A | 0.8279 | |
| 469 | R | A | -1.0958 | |
| 470 | F | A | -0.1823 | |
| 471 | A | A | 1.0485 | |
| 472 | M | A | 1.0680 | |
| 473 | G | A | 0.0008 | |
| 474 | M | A | 0.7132 | |
| 475 | A | A | 1.2645 | |
| 476 | Q | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | L | A | 2.2275 | |
| 479 | L | A | 1.7972 | |
| 480 | T | A | 0.0000 | |
| 481 | A | A | 1.2815 | |
| 482 | L | A | 1.9601 | |
| 483 | M | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | S | A | 0.2048 | |
| 486 | S | A | 0.0083 | |
| 487 | S | A | 0.1824 | |
| 488 | S | A | -0.2784 | |
| 489 | A | A | 0.0000 | |
| 490 | T | A | 0.0000 | |
| 491 | L | A | 0.0000 | |
| 492 | P | A | 0.0000 | |
| 493 | V | A | 0.0000 | |
| 494 | T | A | 0.1701 | |
| 495 | F | A | 0.0000 | |
| 496 | R | A | -1.0436 | |
| 497 | C | A | 0.0000 | |
| 498 | A | A | 0.0000 | |
| 499 | E | A | -1.9752 | |
| 500 | E | A | -1.9852 | |
| 501 | K | A | -1.7896 | |
| 502 | N | A | -1.5803 | |
| 503 | Q | A | -2.2104 | |
| 504 | V | A | -1.5565 | |
| 505 | D | A | -2.2410 | |
| 506 | K | A | -2.7053 | |
| 507 | R | A | -2.0867 | |
| 508 | I | A | -0.6189 | |
| 509 | T | A | 0.0000 | |
| 510 | R | A | -0.8229 | |
| 511 | F | A | 0.0360 | |
| 512 | V | A | 0.2410 | |
| 513 | L | A | 0.5992 | |
| 514 | P | A | 0.0000 | |
| 515 | V | A | 0.0000 | |
| 516 | G | A | 0.6047 | |
| 517 | A | A | 0.4004 | |
| 518 | T | A | 0.6279 | |
| 519 | I | A | 1.2947 | |
| 520 | N | A | 0.7660 | |
| 521 | M | A | 0.5444 | |
| 522 | D | A | 0.3951 | |
| 523 | G | A | 0.0364 | |
| 524 | T | A | -0.2049 | |
| 525 | A | A | 0.0000 | |
| 526 | L | A | 0.0000 | |
| 527 | Y | A | 0.3272 | |
| 528 | E | A | -1.3544 | |
| 529 | A | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | A | A | 0.0058 | |
| 532 | A | A | 0.0948 | |
| 533 | V | A | 0.0000 | |
| 534 | F | A | 0.0000 | |
| 535 | I | A | 0.9400 | |
| 536 | A | A | 0.0000 | |
| 537 | Q | A | 0.0000 | |
| 538 | L | A | 0.0000 | |
| 539 | N | A | -1.1578 | |
| 540 | D | A | -1.7605 | |
| 541 | L | A | -0.7378 | |
| 542 | D | A | -1.5758 | |
| 543 | L | A | -0.3191 | |
| 544 | G | A | 0.1940 | |
| 545 | I | A | 1.6050 | |
| 546 | G | A | 0.2885 | |
| 547 | Q | A | -0.3052 | |
| 548 | I | A | 0.4472 | |
| 549 | I | A | 0.0910 | |
| 550 | T | A | -0.8298 | |
| 551 | I | A | -0.9112 | |
| 552 | R | A | -1.7448 | |
| 553 | D | A | -2.6660 | |
| 554 | R | A | -2.6667 | |
| 555 | F | A | -1.4122 | |
| 556 | R | A | -2.2923 | |
| 557 | T | A | -1.1321 | |
| 558 | M | A | -0.1530 | |
| 559 | V | A | 0.0757 | |
| 560 | N | A | -0.3892 | |
| 561 | V | A | 0.9773 | |
| 562 | L | A | 0.5850 | |
| 563 | G | A | -0.6147 | |
| 564 | D | A | -0.9955 | |
| 565 | A | A | 0.2680 | |
| 566 | F | A | 0.7825 | |
| 567 | G | A | 0.0837 | |
| 568 | T | A | -0.0474 | |
| 569 | G | A | -0.0125 | |
| 570 | I | A | 1.3958 | |
| 571 | V | A | 1.3831 | |
| 572 | E | A | -1.6781 | |
| 573 | K | A | -1.4456 | |
| 574 | L | A | 0.1624 | |
| 575 | S | A | -1.8002 | |
| 576 | K | A | -3.4248 | |
| 577 | K | A | -4.3238 | |
| 578 | E | A | -3.7144 | |
| 579 | L | A | -2.9235 | |
| 580 | E | A | -3.7536 | |
| 581 | Q | A | -2.9587 | |
| 582 | M | A | -1.4589 | |
| 583 | D | A | -2.4554 | |
| 584 | V | A | -0.5404 | |
| 585 | S | A | -0.3404 | |
| 586 | S | A | -0.3672 | |
| 587 | E | A | -0.2420 | |
| 588 | V | A | 1.4406 | |
| 589 | N | A | 0.2111 | |
| 590 | I | A | 2.0318 | |
| 591 | V | A | 2.3932 | |
| 592 | N | A | 1.6046 | |
| 593 | P | A | 1.5087 | |
| 594 | F | A | 2.0114 | |
| 595 | A | A | 1.2057 | |
| 596 | L | A | 1.2648 | |
| 597 | E | A | -0.3879 | |
| 598 | S | A | -0.0170 | |
| 599 | T | A | 0.8374 | |
| 600 | I | A | 1.8771 | |
| 601 | L | A | 1.0295 | |
| 602 | D | A | -1.3662 | |
| 603 | N | A | -2.7979 | |
| 604 | E | A | -3.5484 | |
| 605 | D | A | -3.4933 | |
| 606 | S | A | -2.5987 | |
| 607 | D | A | -2.7398 | |
| 608 | T | A | -2.4786 | |
| 609 | K | A | -3.0343 | |
| 610 | K | A | -2.4119 | |
| 611 | S | A | -0.5535 | |
| 612 | Y | A | 1.5758 | |
| 613 | V | A | 1.7061 | |
| 614 | N | A | -0.3659 | |
| 615 | G | A | -0.6545 | |
| 616 | G | A | 0.0469 | |
| 617 | F | A | 1.7521 | |
| 618 | A | A | 1.5109 | |
| 619 | V | A | 1.0051 | |
| 620 | D | A | -1.5561 | |
| 621 | K | A | -2.6385 | |
| 622 | S | A | -2.3324 | |
| 623 | D | A | -1.7838 | |
| 624 | T | A | -0.2806 | |
| 625 | I | A | 1.7837 | |
| 626 | S | A | 1.4718 | |
| 627 | F | A | 1.9222 | |
| 628 | T | A | 0.3926 | |
| 629 | Q | A | -1.0225 | |
| 630 | T | A | -1.1097 | |
| 631 | S | A | -0.6958 | |
| 632 | Q | A | -0.5019 | |
| 633 | F | A | 1.3032 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | 0.2363 | 5.8489 | View | CSV | PDB |
| 4.5 | 0.1703 | 5.7985 | View | CSV | PDB |
| 5.0 | 0.0879 | 5.738 | View | CSV | PDB |
| 5.5 | 0.0049 | 5.6612 | View | CSV | PDB |
| 6.0 | -0.0611 | 5.5808 | View | CSV | PDB |
| 6.5 | -0.0967 | 5.5093 | View | CSV | PDB |
| 7.0 | -0.1004 | 5.4693 | View | CSV | PDB |
| 7.5 | -0.0817 | 5.4734 | View | CSV | PDB |
| 8.0 | -0.0504 | 5.4848 | View | CSV | PDB |
| 8.5 | -0.0103 | 5.4986 | View | CSV | PDB |
| 9.0 | 0.0391 | 5.5123 | View | CSV | PDB |
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