| Chain sequence(s) | MKLLWQVTVHHTWNAVLLPVVYLTAQVWILCAAIAAAASAGPQNCPSVCSCSNQFSKVVCTRRGLSEVPQGIPSNTRYLNLMENNIQMIQADTFRHLHHLEVLQLGRNSIRQIEVGAFNGLASLNTLELFDNWLTVIPSGAFEYLSKLRELWLRNNPIESIPSYAFNRVPSLMRLDLGELKKLEYISEGAFEGLFNLKYLNLGMCNIKDMPNLTPLVGLEELEMSGNHFPEIRPGSFHGLSSLKKLWVMNSQVSLIERNAFDGLASLVELNLAHNNLSSLPHDLFTPLRYLVELHLHHNPWNCDCDILWLAWWLREYIPTNSTCCGRCHAPMHMRGRYLVEVDQAAFQCSAPFIMDAPRDLNISEDRMAELKCRTPPMSSVKWLLPNGTVLSHASRHPRISVLNDGTLNFSRVLLIDTGVYTCMVTNVAGNSNASAYLNVSSAELNTPNFSFFTTVTVETTEISPEDITRKYKPVPTTSTGYQPAYTTSTTVLIQTTRVPKQVPVPSTDTTDKMQTSLDEVMKTTKIIIGCFVAVTLLAAAMLIVFYKLRKRHQQRSTVTAARTVEIIQVDEDIPAAAPAAATAAPSGVSGEGAVVLPTIHDHINYNTYKPAHGAHWTENSLGNSLHPTVTTISEPYIIQTHTKDKVQETQI 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:25:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/af1ca2f1624835/tmp/folded.pdb (00:25:14)
[INFO] Main: Simulation completed successfully. (00:38:36)
|
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 | 1.1211 | |
| 2 | K | A | 0.0441 | |
| 3 | L | A | 2.0757 | |
| 4 | L | A | 2.7095 | |
| 5 | W | A | 2.3100 | |
| 6 | Q | A | 0.9427 | |
| 7 | V | A | 2.1210 | |
| 8 | T | A | 1.3730 | |
| 9 | V | A | 1.4513 | |
| 10 | H | A | -0.1959 | |
| 11 | H | A | -0.6059 | |
| 12 | T | A | 0.4917 | |
| 13 | W | A | 1.1160 | |
| 14 | N | A | -0.0816 | |
| 15 | A | A | 0.7117 | |
| 16 | V | A | 2.3663 | |
| 17 | L | A | 3.2170 | |
| 18 | L | A | 3.0282 | |
| 19 | P | A | 2.8662 | |
| 20 | V | A | 4.0893 | |
| 21 | V | A | 3.9529 | |
| 22 | Y | A | 3.5494 | |
| 23 | L | A | 3.5806 | |
| 24 | T | A | 2.7700 | |
| 25 | A | A | 2.3970 | |
| 26 | Q | A | 1.9441 | |
| 27 | V | A | 2.8603 | |
| 28 | W | A | 3.1777 | |
| 29 | I | A | 3.1261 | |
| 30 | L | A | 3.1939 | |
| 31 | C | A | 2.9802 | |
| 32 | A | A | 2.2932 | |
| 33 | A | A | 2.3843 | |
| 34 | I | A | 2.9392 | |
| 35 | A | A | 1.5596 | |
| 36 | A | A | 0.9711 | |
| 37 | A | A | 0.8528 | |
| 38 | A | A | 0.6003 | |
| 39 | S | A | -0.1447 | |
| 40 | A | A | -0.4604 | |
| 41 | G | A | -1.0860 | |
| 42 | P | A | -1.3828 | |
| 43 | Q | A | -2.2538 | |
| 44 | N | A | -1.9686 | |
| 45 | C | A | -0.8986 | |
| 46 | P | A | 0.0000 | |
| 47 | S | A | -0.3292 | |
| 48 | V | A | 0.0740 | |
| 49 | C | A | 0.0000 | |
| 50 | S | A | -0.0447 | |
| 51 | C | A | -0.6266 | |
| 52 | S | A | -1.1495 | |
| 53 | N | A | -2.1118 | |
| 54 | Q | A | -1.9931 | |
| 55 | F | A | -1.5026 | |
| 56 | S | A | -1.7914 | |
| 57 | K | A | -1.5099 | |
| 58 | V | A | 0.0000 | |
| 59 | V | A | -0.1280 | |
| 60 | C | A | 0.0000 | |
| 61 | T | A | -1.3588 | |
| 62 | R | A | -2.7834 | |
| 63 | R | A | -2.0664 | |
| 64 | G | A | -1.9899 | |
| 65 | L | A | -1.6960 | |
| 66 | S | A | -1.7088 | |
| 67 | E | A | -2.3422 | |
| 68 | V | A | -1.2632 | |
| 69 | P | A | -1.0059 | |
| 70 | Q | A | -1.5790 | |
| 71 | G | A | -1.5425 | |
| 72 | I | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | S | A | -1.4520 | |
| 75 | N | A | -1.7232 | |
| 76 | T | A | 0.0000 | |
| 77 | R | A | -2.2602 | |
| 78 | Y | A | -0.9196 | |
| 79 | L | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | M | A | -1.2824 | |
| 83 | E | A | -2.1872 | |
| 84 | N | A | 0.0000 | |
| 85 | N | A | -2.4139 | |
| 86 | I | A | 0.0000 | |
| 87 | Q | A | -1.8049 | |
| 88 | M | A | -1.3825 | |
| 89 | I | A | 0.0000 | |
| 90 | Q | A | -1.4960 | |
| 91 | A | A | -0.9235 | |
| 92 | D | A | -1.7366 | |
| 93 | T | A | -1.7664 | |
| 94 | F | A | 0.0000 | |
| 95 | R | A | -2.7390 | |
| 96 | H | A | -2.0585 | |
| 97 | L | A | 0.0000 | |
| 98 | H | A | -2.2997 | |
| 99 | H | A | -1.9762 | |
| 100 | L | A | 0.0000 | |
| 101 | E | A | -2.1276 | |
| 102 | V | A | -0.9417 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -0.2051 | |
| 105 | L | A | 0.0000 | |
| 106 | G | A | 0.0000 | |
| 107 | R | A | -1.9905 | |
| 108 | N | A | -1.5575 | |
| 109 | S | A | -1.3703 | |
| 110 | I | A | 0.0000 | |
| 111 | R | A | -1.6095 | |
| 112 | Q | A | -1.3835 | |
| 113 | I | A | -0.7070 | |
| 114 | E | A | -0.5226 | |
| 115 | V | A | 0.8013 | |
| 116 | G | A | -0.1365 | |
| 117 | A | A | 0.0000 | |
| 118 | F | A | 0.0000 | |
| 119 | N | A | -1.1124 | |
| 120 | G | A | -1.5641 | |
| 121 | L | A | 0.0000 | |
| 122 | A | A | -1.0448 | |
| 123 | S | A | -1.5564 | |
| 124 | L | A | 0.0000 | |
| 125 | N | A | -1.7237 | |
| 126 | T | A | -1.1703 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -0.3782 | |
| 129 | L | A | 0.0000 | |
| 130 | F | A | -0.4774 | |
| 131 | D | A | -0.9991 | |
| 132 | N | A | 0.0000 | |
| 133 | W | A | 0.0706 | |
| 134 | L | A | 0.0000 | |
| 135 | T | A | -0.3469 | |
| 136 | V | A | 0.6428 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | 0.2707 | |
| 139 | S | A | -0.1698 | |
| 140 | G | A | -0.0740 | |
| 141 | A | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | E | A | -0.1853 | |
| 144 | Y | A | 0.4165 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.9884 | |
| 147 | K | A | -1.9254 | |
| 148 | L | A | 0.0000 | |
| 149 | R | A | -2.1629 | |
| 150 | E | A | -1.3357 | |
| 151 | L | A | 0.0000 | |
| 152 | W | A | -0.1970 | |
| 153 | L | A | 0.0000 | |
| 154 | R | A | -0.8719 | |
| 155 | N | A | -1.3100 | |
| 156 | N | A | 0.0000 | |
| 157 | P | A | -1.3003 | |
| 158 | I | A | 0.0000 | |
| 159 | E | A | -2.5155 | |
| 160 | S | A | -0.8689 | |
| 161 | I | A | 0.0000 | |
| 162 | P | A | 0.0970 | |
| 163 | S | A | -0.2566 | |
| 164 | Y | A | 0.0126 | |
| 165 | A | A | 0.0000 | |
| 166 | F | A | 0.0000 | |
| 167 | N | A | -1.5611 | |
| 168 | R | A | -2.0048 | |
| 169 | V | A | 0.0000 | |
| 170 | P | A | -1.1997 | |
| 171 | S | A | 0.0000 | |
| 172 | L | A | 0.0000 | |
| 173 | M | A | -0.7288 | |
| 174 | R | A | -1.0246 | |
| 175 | L | A | 0.0000 | |
| 176 | D | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | E | A | -1.7631 | |
| 180 | L | A | 0.0000 | |
| 181 | K | A | -3.3945 | |
| 182 | K | A | -3.5326 | |
| 183 | L | A | -2.5499 | |
| 184 | E | A | -2.7009 | |
| 185 | Y | A | -0.4256 | |
| 186 | I | A | -0.5070 | |
| 187 | S | A | 0.0000 | |
| 188 | E | A | -1.9162 | |
| 189 | G | A | -1.1816 | |
| 190 | A | A | 0.0000 | |
| 191 | F | A | 0.0000 | |
| 192 | E | A | -0.9630 | |
| 193 | G | A | -0.7235 | |
| 194 | L | A | 0.0000 | |
| 195 | F | A | 1.2266 | |
| 196 | N | A | -0.3748 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | -0.7724 | |
| 199 | Y | A | -0.7004 | |
| 200 | L | A | 0.0000 | |
| 201 | N | A | 0.0000 | |
| 202 | L | A | 0.0000 | |
| 203 | G | A | 0.0000 | |
| 204 | M | A | -0.9696 | |
| 205 | C | A | 0.0000 | |
| 206 | N | A | -2.8104 | |
| 207 | I | A | 0.0000 | |
| 208 | K | A | -3.3707 | |
| 209 | D | A | -3.0243 | |
| 210 | M | A | -1.5408 | |
| 211 | P | A | -1.1711 | |
| 212 | N | A | -1.6806 | |
| 213 | L | A | 0.0000 | |
| 214 | T | A | -0.5864 | |
| 215 | P | A | -0.0248 | |
| 216 | L | A | 0.0000 | |
| 217 | V | A | 1.0424 | |
| 218 | G | A | 0.3131 | |
| 219 | L | A | 0.0000 | |
| 220 | E | A | -0.9964 | |
| 221 | E | A | -1.1745 | |
| 222 | L | A | 0.0000 | |
| 223 | E | A | 0.0000 | |
| 224 | M | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | G | A | -0.8464 | |
| 227 | N | A | 0.0000 | |
| 228 | H | A | -2.3006 | |
| 229 | F | A | 0.0000 | |
| 230 | P | A | -1.9410 | |
| 231 | E | A | -2.6407 | |
| 232 | I | A | 0.0000 | |
| 233 | R | A | -2.3441 | |
| 234 | P | A | -1.6420 | |
| 235 | G | A | -1.6208 | |
| 236 | S | A | -1.5505 | |
| 237 | F | A | 0.0000 | |
| 238 | H | A | -1.3885 | |
| 239 | G | A | -0.4916 | |
| 240 | L | A | 0.0000 | |
| 241 | S | A | -0.4592 | |
| 242 | S | A | -0.4983 | |
| 243 | L | A | 0.0000 | |
| 244 | K | A | -1.0564 | |
| 245 | K | A | -1.2148 | |
| 246 | L | A | 0.0000 | |
| 247 | W | A | -0.1316 | |
| 248 | V | A | 0.0000 | |
| 249 | M | A | -0.5330 | |
| 250 | N | A | -1.4667 | |
| 251 | S | A | 0.0000 | |
| 252 | Q | A | -1.9059 | |
| 253 | V | A | 0.0000 | |
| 254 | S | A | -1.2364 | |
| 255 | L | A | -0.8815 | |
| 256 | I | A | 0.0000 | |
| 257 | E | A | 0.0000 | |
| 258 | R | A | 0.0000 | |
| 259 | N | A | -1.0652 | |
| 260 | A | A | 0.0000 | |
| 261 | F | A | 0.0000 | |
| 262 | D | A | -0.9091 | |
| 263 | G | A | -0.8057 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | -0.4421 | |
| 266 | S | A | -0.3862 | |
| 267 | L | A | 0.0000 | |
| 268 | V | A | 0.4817 | |
| 269 | E | A | -0.1554 | |
| 270 | L | A | 0.0000 | |
| 271 | N | A | 0.0000 | |
| 272 | L | A | 0.0000 | |
| 273 | A | A | 0.0000 | |
| 274 | H | A | -1.4815 | |
| 275 | N | A | 0.0000 | |
| 276 | N | A | -1.9315 | |
| 277 | L | A | 0.0000 | |
| 278 | S | A | -0.6930 | |
| 279 | S | A | -0.5038 | |
| 280 | L | A | 0.0000 | |
| 281 | P | A | 0.0000 | |
| 282 | H | A | 0.0000 | |
| 283 | D | A | -1.0903 | |
| 284 | L | A | 0.0000 | |
| 285 | F | A | 0.0000 | |
| 286 | T | A | -0.9439 | |
| 287 | P | A | -0.8244 | |
| 288 | L | A | 0.0000 | |
| 289 | R | A | -0.7680 | |
| 290 | Y | A | 0.9687 | |
| 291 | L | A | 0.0000 | |
| 292 | V | A | 1.7817 | |
| 293 | E | A | 0.1097 | |
| 294 | L | A | 0.0000 | |
| 295 | H | A | -0.6353 | |
| 296 | L | A | 0.0000 | |
| 297 | H | A | -1.1631 | |
| 298 | H | A | -1.9387 | |
| 299 | N | A | 0.0000 | |
| 300 | P | A | -1.5799 | |
| 301 | W | A | 0.0000 | |
| 302 | N | A | -1.2573 | |
| 303 | C | A | 0.0000 | |
| 304 | D | A | -1.0598 | |
| 305 | C | A | -0.6742 | |
| 306 | D | A | -0.6279 | |
| 307 | I | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | W | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | W | A | -0.4586 | |
| 313 | W | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | R | A | -1.5401 | |
| 316 | E | A | -1.5246 | |
| 317 | Y | A | 0.3916 | |
| 318 | I | A | 0.0000 | |
| 319 | P | A | -0.7343 | |
| 320 | T | A | -1.0234 | |
| 321 | N | A | -1.4598 | |
| 322 | S | A | -1.0174 | |
| 323 | T | A | -0.4408 | |
| 324 | C | A | 0.0000 | |
| 325 | C | A | 0.0000 | |
| 326 | G | A | -1.4330 | |
| 327 | R | A | -3.0455 | |
| 328 | C | A | 0.0000 | |
| 329 | H | A | -2.1428 | |
| 330 | A | A | -1.4518 | |
| 331 | P | A | -0.7776 | |
| 332 | M | A | -0.3304 | |
| 333 | H | A | -1.3475 | |
| 334 | M | A | 0.0000 | |
| 335 | R | A | -2.9394 | |
| 336 | G | A | -2.5288 | |
| 337 | R | A | -2.9085 | |
| 338 | Y | A | -1.5382 | |
| 339 | L | A | 0.0000 | |
| 340 | V | A | -1.2128 | |
| 341 | E | A | -2.5088 | |
| 342 | V | A | 0.0000 | |
| 343 | D | A | -2.5386 | |
| 344 | Q | A | -2.0883 | |
| 345 | A | A | -1.1446 | |
| 346 | A | A | -0.9368 | |
| 347 | F | A | -1.0094 | |
| 348 | Q | A | -1.2252 | |
| 349 | C | A | -0.5881 | |
| 350 | S | A | -0.0844 | |
| 351 | A | A | 0.1340 | |
| 352 | P | A | 0.0000 | |
| 353 | F | A | 1.4816 | |
| 354 | I | A | 0.3767 | |
| 355 | M | A | 0.1267 | |
| 356 | D | A | -1.5249 | |
| 357 | A | A | -1.4642 | |
| 358 | P | A | 0.0000 | |
| 359 | R | A | -3.2256 | |
| 360 | D | A | -2.5436 | |
| 361 | L | A | 0.0000 | |
| 362 | N | A | -2.0751 | |
| 363 | I | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | E | A | -2.1608 | |
| 366 | D | A | -2.7938 | |
| 367 | R | A | -1.8547 | |
| 368 | M | A | -0.4699 | |
| 369 | A | A | 0.0000 | |
| 370 | E | A | -2.2086 | |
| 371 | L | A | 0.0000 | |
| 372 | K | A | -2.5481 | |
| 373 | C | A | 0.0000 | |
| 374 | R | A | -2.4446 | |
| 375 | T | A | 0.0000 | |
| 376 | P | A | -0.3125 | |
| 377 | P | A | -0.9959 | |
| 378 | M | A | -0.4669 | |
| 379 | S | A | 0.0000 | |
| 380 | S | A | -0.6756 | |
| 381 | V | A | 0.0000 | |
| 382 | K | A | -0.6933 | |
| 383 | W | A | 0.0000 | |
| 384 | L | A | 0.6777 | |
| 385 | L | A | 0.0000 | |
| 386 | P | A | 0.1978 | |
| 387 | N | A | -0.9254 | |
| 388 | G | A | -0.7202 | |
| 389 | T | A | 0.0335 | |
| 390 | V | A | 0.8332 | |
| 391 | L | A | 0.0000 | |
| 392 | S | A | -0.4843 | |
| 393 | H | A | -1.1211 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -1.2345 | |
| 396 | R | A | -2.2745 | |
| 397 | H | A | -1.4285 | |
| 398 | P | A | -1.0173 | |
| 399 | R | A | -1.0656 | |
| 400 | I | A | 0.0000 | |
| 401 | S | A | -0.9639 | |
| 402 | V | A | 0.0000 | |
| 403 | L | A | -0.5224 | |
| 404 | N | A | -1.3651 | |
| 405 | D | A | -2.3416 | |
| 406 | G | A | 0.0000 | |
| 407 | T | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | N | A | -1.3513 | |
| 410 | F | A | 0.0000 | |
| 411 | S | A | -1.3806 | |
| 412 | R | A | -2.3046 | |
| 413 | V | A | 0.0000 | |
| 414 | L | A | 0.0993 | |
| 415 | L | A | 1.2844 | |
| 416 | I | A | 2.1662 | |
| 417 | D | A | 0.0000 | |
| 418 | T | A | 1.0230 | |
| 419 | G | A | 1.0914 | |
| 420 | V | A | 1.5901 | |
| 421 | Y | A | 0.0000 | |
| 422 | T | A | 0.3482 | |
| 423 | C | A | 0.0000 | |
| 424 | M | A | -0.6696 | |
| 425 | V | A | 0.0000 | |
| 426 | T | A | -0.7318 | |
| 427 | N | A | -0.3088 | |
| 428 | V | A | -0.0558 | |
| 429 | A | A | -0.3960 | |
| 430 | G | A | -0.6416 | |
| 431 | N | A | -1.3346 | |
| 432 | S | A | -0.8089 | |
| 433 | N | A | -1.3815 | |
| 434 | A | A | -0.9656 | |
| 435 | S | A | -0.3764 | |
| 436 | A | A | 0.0000 | |
| 437 | Y | A | 0.0532 | |
| 438 | L | A | 0.0000 | |
| 439 | N | A | -0.5859 | |
| 440 | V | A | 0.0000 | |
| 441 | S | A | -0.7739 | |
| 442 | S | A | -0.9267 | |
| 443 | A | A | -1.1479 | |
| 444 | E | A | -2.1246 | |
| 445 | L | A | -1.4644 | |
| 446 | N | A | -1.8788 | |
| 447 | T | A | -1.0390 | |
| 448 | P | A | -0.7237 | |
| 449 | N | A | -0.4179 | |
| 450 | F | A | 2.0322 | |
| 451 | S | A | 1.8249 | |
| 452 | F | A | 3.2121 | |
| 453 | F | A | 3.2891 | |
| 454 | T | A | 1.8634 | |
| 455 | T | A | 1.7355 | |
| 456 | V | A | 2.2339 | |
| 457 | T | A | 1.1146 | |
| 458 | V | A | 1.3168 | |
| 459 | E | A | -1.0205 | |
| 460 | T | A | -0.7369 | |
| 461 | T | A | -0.7418 | |
| 462 | E | A | -1.2040 | |
| 463 | I | A | 0.4803 | |
| 464 | S | A | -0.5667 | |
| 465 | P | A | -1.1405 | |
| 466 | E | A | -2.1801 | |
| 467 | D | A | -1.7769 | |
| 468 | I | A | -0.0238 | |
| 469 | T | A | -0.8876 | |
| 470 | R | A | -2.0312 | |
| 471 | K | A | -2.1162 | |
| 472 | Y | A | -0.7985 | |
| 473 | K | A | -1.1995 | |
| 474 | P | A | 0.0061 | |
| 475 | V | A | 1.1551 | |
| 476 | P | A | 0.4797 | |
| 477 | T | A | 0.0789 | |
| 478 | T | A | -0.2920 | |
| 479 | S | A | -0.3922 | |
| 480 | T | A | -0.2718 | |
| 481 | G | A | -0.1581 | |
| 482 | Y | A | 0.4485 | |
| 483 | Q | A | -0.5977 | |
| 484 | P | A | -0.2999 | |
| 485 | A | A | 0.2441 | |
| 486 | Y | A | 1.0300 | |
| 487 | T | A | 0.4930 | |
| 488 | T | A | 0.1229 | |
| 489 | S | A | 0.0553 | |
| 490 | T | A | 0.4343 | |
| 491 | T | A | 1.3171 | |
| 492 | V | A | 2.8518 | |
| 493 | L | A | 3.0139 | |
| 494 | I | A | 2.6282 | |
| 495 | Q | A | 0.1544 | |
| 496 | T | A | -0.2352 | |
| 497 | T | A | -0.6510 | |
| 498 | R | A | -1.4283 | |
| 499 | V | A | 0.2096 | |
| 500 | P | A | -0.7899 | |
| 501 | K | A | -1.7863 | |
| 502 | Q | A | -1.1005 | |
| 503 | V | A | 1.0652 | |
| 504 | P | A | 1.1149 | |
| 505 | V | A | 1.8739 | |
| 506 | P | A | 0.4415 | |
| 507 | S | A | -0.3308 | |
| 508 | T | A | -1.1579 | |
| 509 | D | A | -2.3517 | |
| 510 | T | A | -1.6200 | |
| 511 | T | A | -1.7303 | |
| 512 | D | A | -2.8496 | |
| 513 | K | A | -2.5566 | |
| 514 | M | A | -0.8479 | |
| 515 | Q | A | -1.7799 | |
| 516 | T | A | -1.5497 | |
| 517 | S | A | -1.0975 | |
| 518 | L | A | -0.0809 | |
| 519 | D | A | -1.6604 | |
| 520 | E | A | -2.2584 | |
| 521 | V | A | 0.0602 | |
| 522 | M | A | -0.1617 | |
| 523 | K | A | -1.3598 | |
| 524 | T | A | 0.1487 | |
| 525 | T | A | 0.5687 | |
| 526 | K | A | 0.1826 | |
| 527 | I | A | 2.8219 | |
| 528 | I | A | 3.7163 | |
| 529 | I | A | 3.3134 | |
| 530 | G | A | 2.6702 | |
| 531 | C | A | 3.8415 | |
| 532 | F | A | 4.7026 | |
| 533 | V | A | 3.9396 | |
| 534 | A | A | 3.4438 | |
| 535 | V | A | 4.0354 | |
| 536 | T | A | 3.0733 | |
| 537 | L | A | 3.7005 | |
| 538 | L | A | 3.8399 | |
| 539 | A | A | 2.8031 | |
| 540 | A | A | 2.6885 | |
| 541 | A | A | 3.1012 | |
| 542 | M | A | 3.2559 | |
| 543 | L | A | 3.5926 | |
| 544 | I | A | 3.6960 | |
| 545 | V | A | 2.9464 | |
| 546 | F | A | 2.4784 | |
| 547 | Y | A | 1.7930 | |
| 548 | K | A | -0.2155 | |
| 549 | L | A | -0.0943 | |
| 550 | R | A | -1.9259 | |
| 551 | K | A | -3.5423 | |
| 552 | R | A | -3.8423 | |
| 553 | H | A | -3.5067 | |
| 554 | Q | A | -3.7740 | |
| 555 | Q | A | -3.4703 | |
| 556 | R | A | -3.2369 | |
| 557 | S | A | -2.0482 | |
| 558 | T | A | -1.0625 | |
| 559 | V | A | 0.0338 | |
| 560 | T | A | -0.4182 | |
| 561 | A | A | -0.2144 | |
| 562 | A | A | -0.2315 | |
| 563 | R | A | -1.1232 | |
| 564 | T | A | -0.0562 | |
| 565 | V | A | 1.2461 | |
| 566 | E | A | -0.0694 | |
| 567 | I | A | 2.3762 | |
| 568 | I | A | 2.4144 | |
| 569 | Q | A | 0.1578 | |
| 570 | V | A | 0.4676 | |
| 571 | D | A | -2.1474 | |
| 572 | E | A | -2.7852 | |
| 573 | D | A | -2.0256 | |
| 574 | I | A | 0.4213 | |
| 575 | P | A | 0.1214 | |
| 576 | A | A | 0.3598 | |
| 577 | A | A | 0.0096 | |
| 578 | A | A | -0.0091 | |
| 579 | P | A | -0.1673 | |
| 580 | A | A | -0.0124 | |
| 581 | A | A | 0.0426 | |
| 582 | A | A | 0.0764 | |
| 583 | T | A | 0.0129 | |
| 584 | A | A | 0.0130 | |
| 585 | A | A | -0.0895 | |
| 586 | P | A | -0.4219 | |
| 587 | S | A | -0.2154 | |
| 588 | G | A | 0.1655 | |
| 589 | V | A | 1.3038 | |
| 590 | S | A | -0.0758 | |
| 591 | G | A | -1.1893 | |
| 592 | E | A | -2.1095 | |
| 593 | G | A | -0.7659 | |
| 594 | A | A | 0.8536 | |
| 595 | V | A | 2.7382 | |
| 596 | V | A | 3.2641 | |
| 597 | L | A | 2.9771 | |
| 598 | P | A | 1.5008 | |
| 599 | T | A | 0.8649 | |
| 600 | I | A | 1.0468 | |
| 601 | H | A | -0.9341 | |
| 602 | D | A | -1.9447 | |
| 603 | H | A | -1.0660 | |
| 604 | I | A | 0.6113 | |
| 605 | N | A | -0.4379 | |
| 606 | Y | A | 0.6392 | |
| 607 | N | A | -0.6110 | |
| 608 | T | A | -0.3109 | |
| 609 | Y | A | 0.2481 | |
| 610 | K | A | -1.4458 | |
| 611 | P | A | -1.0233 | |
| 612 | A | A | -0.9755 | |
| 613 | H | A | -1.5779 | |
| 614 | G | A | -1.2433 | |
| 615 | A | A | -0.6856 | |
| 616 | H | A | -0.6148 | |
| 617 | W | A | 0.3262 | |
| 618 | T | A | -0.8126 | |
| 619 | E | A | -2.3138 | |
| 620 | N | A | -2.0109 | |
| 621 | S | A | -0.5622 | |
| 622 | L | A | 0.6797 | |
| 623 | G | A | -0.4177 | |
| 624 | N | A | -0.9712 | |
| 625 | S | A | -0.3921 | |
| 626 | L | A | 0.6402 | |
| 627 | H | A | -0.4108 | |
| 628 | P | A | -0.1625 | |
| 629 | T | A | 0.4772 | |
| 630 | V | A | 1.6399 | |
| 631 | T | A | 1.1447 | |
| 632 | T | A | 1.1976 | |
| 633 | I | A | 1.4896 | |
| 634 | S | A | -0.1277 | |
| 635 | E | A | -1.1320 | |
| 636 | P | A | -0.2130 | |
| 637 | Y | A | 2.0818 | |
| 638 | I | A | 3.0346 | |
| 639 | I | A | 2.6891 | |
| 640 | Q | A | 0.1492 | |
| 641 | T | A | -0.4911 | |
| 642 | H | A | -1.6985 | |
| 643 | T | A | -1.9323 | |
| 644 | K | A | -3.1200 | |
| 645 | D | A | -3.2942 | |
| 646 | K | A | -2.5652 | |
| 647 | V | A | -0.7165 | |
| 648 | Q | A | -1.9214 | |
| 649 | E | A | -2.2666 | |
| 650 | T | A | -1.1630 | |
| 651 | Q | A | -0.8584 | |
| 652 | I | A | 1.2070 |
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 | -0.0205 | 8.0805 | View | CSV | PDB |
| 4.5 | -0.0708 | 8.0816 | View | CSV | PDB |
| 5.0 | -0.1318 | 8.0851 | View | CSV | PDB |
| 5.5 | -0.1903 | 8.0944 | View | CSV | PDB |
| 6.0 | -0.2338 | 8.1156 | View | CSV | PDB |
| 6.5 | -0.2558 | 8.151 | View | CSV | PDB |
| 7.0 | -0.2589 | 8.1966 | View | CSV | PDB |
| 7.5 | -0.2504 | 8.2468 | View | CSV | PDB |
| 8.0 | -0.2355 | 8.2986 | View | CSV | PDB |
| 8.5 | -0.2154 | 8.3508 | View | CSV | PDB |
| 9.0 | -0.1892 | 8.4026 | 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