| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSSVSASVGDRVTITCRASRRISNWVAWYQQQPGKAPKLLIYAASSLQRGVPSRFTGSGYGTDFTLTISSLQPEDSATYYCQQTNSLLALTFGGGTKVEIK B: QVQLVQSGAEVKKPGASVKVSCKTSGFSFTSYDVNWVRQATGQGLEWMGWMNVNSGKTAYAEKFQGRVTVTRNTSINTAYMELSSLRSEDTAVYYCARVGYSHGDSDYWGQGTLVTVSSA input PDB |
| Selected Chain(s) | A,B,C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max 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 (00:14:44)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b993c660c75d2df/tmp/folded.pdb (00:14:44)
[INFO] Main: Simulation completed successfully. (00:25:14)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | K | A | -2.5778 | |
| 2 | K | A | -2.8909 | |
| 3 | P | A | -1.9778 | |
| 4 | A | A | -1.9727 | |
| 5 | K | A | -2.4984 | |
| 6 | P | A | -1.9554 | |
| 7 | K | A | -2.0718 | |
| 8 | C | A | -0.6329 | |
| 9 | P | A | -0.3027 | |
| 10 | A | A | 0.2631 | |
| 11 | V | A | 0.5057 | |
| 12 | C | A | 0.0000 | |
| 13 | T | A | 0.0875 | |
| 14 | C | A | -0.2861 | |
| 15 | T | A | -0.7493 | |
| 16 | K | A | -2.0968 | |
| 17 | D | A | -1.4462 | |
| 18 | N | A | 0.0000 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -0.6874 | |
| 23 | N | A | -1.1969 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.1904 | |
| 26 | S | A | -1.5007 | |
| 27 | I | A | -0.8463 | |
| 28 | P | A | -0.9043 | |
| 29 | R | A | -1.5243 | |
| 30 | T | A | -1.2167 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.9278 | |
| 34 | D | A | -2.1139 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.6771 | |
| 37 | S | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | R | A | -1.1009 | |
| 43 | S | A | -1.3456 | |
| 44 | G | A | -1.7579 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.6540 | |
| 47 | E | A | -1.8531 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5429 | |
| 50 | E | A | -2.0271 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | -0.4598 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.2236 | |
| 55 | F | A | 0.4446 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.1139 | |
| 58 | S | A | -0.7295 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.6861 | |
| 61 | L | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | S | A | -0.6660 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.3511 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.9230 | |
| 71 | V | A | -1.1310 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.5116 | |
| 74 | D | A | -2.0088 | |
| 75 | D | A | -1.8996 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.2408 | |
| 79 | G | A | 0.0286 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1702 | |
| 82 | H | A | -1.5883 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.9627 | |
| 85 | Y | A | 0.0000 | |
| 86 | L | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | E | A | 0.0000 | |
| 90 | N | A | -0.8009 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -1.9209 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.4602 | |
| 95 | S | A | -1.5860 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -0.9832 | |
| 98 | R | A | -2.1961 | |
| 99 | H | A | -2.2131 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.8985 | |
| 103 | G | A | -1.8056 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.8782 | |
| 106 | S | A | -1.6447 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | -0.3187 | |
| 109 | H | A | -0.0690 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -1.7763 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.1162 | |
| 119 | T | A | -1.4713 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.2443 | |
| 122 | K | A | -1.8022 | |
| 123 | D | A | -1.6089 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -2.9310 | |
| 127 | G | A | -2.7677 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8290 | |
| 130 | S | A | -1.5716 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.5484 | |
| 133 | N | A | -0.4083 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -0.8662 | |
| 138 | G | A | -0.6862 | |
| 139 | N | A | -1.3002 | |
| 140 | S | A | -1.4491 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.9990 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.7495 | |
| 145 | C | A | -1.3807 | |
| 146 | K | A | -2.0892 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.6986 | |
| 149 | W | A | -0.9956 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -1.5030 | |
| 153 | W | A | -1.2228 | |
| 154 | L | A | -0.8548 | |
| 155 | G | A | -1.4144 | |
| 156 | H | A | -1.6314 | |
| 157 | T | A | -1.4527 | |
| 158 | N | A | -1.7652 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.6558 | |
| 161 | V | A | -0.7825 | |
| 162 | E | A | -1.4023 | |
| 163 | D | A | -1.4283 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.9395 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -3.6497 | |
| 168 | G | A | -2.8349 | |
| 169 | P | A | -2.0530 | |
| 170 | P | A | -2.3198 | |
| 171 | E | A | -2.9907 | |
| 172 | Y | A | -3.1148 | |
| 173 | K | A | -4.2666 | |
| 174 | K | A | -3.9602 | |
| 175 | R | A | -3.5189 | |
| 176 | K | A | -2.2977 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.3593 | |
| 179 | S | A | -0.9280 | |
| 180 | L | A | -1.1753 | |
| 181 | S | A | -1.3815 | |
| 182 | S | A | -1.8269 | |
| 183 | K | A | -2.7545 | |
| 184 | D | A | -2.4059 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -2.0410 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.5673 | |
| 189 | I | A | 1.5948 | |
| 190 | T | A | 1.2017 | |
| 191 | E | A | -0.2707 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.2295 | |
| 194 | K | A | -2.2534 | |
| 195 | S | A | -1.5049 | |
| 196 | Q | A | -1.3748 | |
| 197 | D | A | -1.7095 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.7916 | |
| 200 | Y | A | -0.4729 | |
| 201 | Q | A | -0.6662 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2347 | |
| 204 | S | A | -0.1436 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4280 | |
| 207 | T | A | -0.4014 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.5105 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.5339 | |
| 212 | N | A | -1.0325 | |
| 213 | D | A | -1.3470 | |
| 214 | E | A | -1.2838 | |
| 215 | Y | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | A | A | 0.0000 | |
| 220 | Q | A | 0.0000 | |
| 221 | P | A | 0.8635 | |
| 222 | F | A | 1.8094 | |
| 223 | T | A | 0.5787 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.5571 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | -0.5572 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.7143 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -2.1435 | |
| 233 | H | A | -1.7672 | |
| 234 | V | A | -0.3078 | |
| 235 | E | A | -2.3607 | |
| 236 | K | A | -2.6762 | |
| 237 | T | A | -1.9266 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.3940 | |
| 240 | N | A | -2.0369 | |
| 241 | Y | A | -1.1201 | |
| 242 | D | A | -1.4233 | |
| 243 | N | A | -1.2010 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.5560 | |
| 246 | G | A | -0.1309 | |
| 247 | T | A | 0.4733 | |
| 248 | S | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | C | A | 0.0000 | |
| 253 | K | A | -0.3975 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.0531 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -1.9943 | |
| 259 | T | A | -0.9522 | |
| 260 | Q | A | -1.0696 | |
| 261 | L | A | 0.0000 | |
| 262 | Y | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | I | A | 0.0000 | |
| 265 | V | A | 0.0000 | |
| 266 | A | A | 0.0000 | |
| 267 | Q | A | 0.0000 | |
| 268 | L | A | 1.0312 | |
| 269 | F | A | 1.8792 | |
| 270 | G | A | 0.6865 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.2459 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.7318 | |
| 276 | K | A | -0.6578 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6934 | |
| 279 | S | A | -0.1680 | |
| 280 | F | A | 1.0903 | |
| 281 | A | A | -0.1413 | |
| 282 | N | A | -1.4059 | |
| 283 | K | A | -1.8580 | |
| 284 | F | A | -1.0090 | |
| 285 | I | A | -0.4496 | |
| 286 | K | A | -1.4888 | |
| 287 | I | A | -0.5345 | |
| 288 | Q | A | -1.3114 | |
| 289 | D | A | -2.2052 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -0.8799 | |
| 292 | I | A | 0.9725 | |
| 293 | L | A | 1.4347 | |
| 294 | K | A | 0.1345 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.3076 | |
| 297 | K | A | -0.8491 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.7854 | |
| 300 | D | A | -0.5845 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3229 | |
| 303 | T | A | -0.3101 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -1.8949 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -2.9855 | |
| 308 | N | A | -2.6003 | |
| 309 | N | A | -2.1917 | |
| 310 | W | A | -1.2644 | |
| 311 | Y | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | V | A | 0.0000 | |
| 314 | V | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | D | A | 0.0000 | |
| 317 | S | A | -1.1381 | |
| 318 | S | A | -1.2969 | |
| 319 | K | A | -1.3901 | |
| 320 | A | A | -0.4527 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.2364 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.7276 | |
| 328 | W | A | -1.0474 | |
| 329 | N | A | -1.7664 | |
| 330 | G | A | -1.9319 | |
| 331 | N | A | -1.6541 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.2956 | |
| 335 | S | A | -0.1036 | |
| 336 | H | A | -0.1851 | |
| 337 | Q | A | -0.1733 | |
| 338 | S | A | -0.1250 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.4752 | |
| 342 | W | A | 0.6802 | |
| 343 | Y | A | -0.0127 | |
| 344 | R | A | -1.4508 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | -0.4599 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.3384 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -1.1682 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.4359 | |
| 355 | R | A | -0.8524 | |
| 356 | T | A | -0.7082 | |
| 357 | P | A | -0.7622 | |
| 358 | Q | A | -1.0951 | |
| 359 | T | A | -0.1602 | |
| 360 | L | A | 0.5444 | |
| 361 | R | A | -0.7664 | |
| 362 | T | A | -0.8847 | |
| 363 | P | A | -0.8555 | |
| 364 | H | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | S | A | 0.0000 | |
| 369 | S | A | 0.0000 | |
| 370 | S | A | -1.6760 | |
| 371 | S | A | -2.1453 | |
| 372 | Q | A | -2.8534 | |
| 373 | R | A | -3.6420 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.2228 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4324 | |
| 381 | K | A | -2.1933 | |
| 382 | A | A | -0.9869 | |
| 383 | T | A | -0.7461 | |
| 384 | Q | A | -1.0815 | |
| 385 | L | A | -0.4262 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0827 | |
| 388 | N | A | -2.0846 | |
| 389 | Q | A | -2.2023 | |
| 390 | T | A | -1.8685 | |
| 391 | D | A | -2.5105 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -2.0059 | |
| 394 | N | A | -2.4898 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.9209 | |
| 397 | D | A | -3.0788 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.5373 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4680 | |
| 403 | H | A | -0.7045 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0062 | |
| 406 | V | A | -1.2278 | |
| 407 | K | A | -1.9947 | |
| 408 | G | A | -1.4712 | |
| 409 | D | A | -1.2443 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | C | A | 0.0000 | |
| 414 | L | A | 0.0000 | |
| 415 | T | A | 0.0000 | |
| 416 | R | A | -0.3013 | |
| 417 | F | A | 0.8634 | |
| 418 | I | A | 1.3014 | |
| 419 | G | A | -0.3517 | |
| 420 | D | A | -1.3275 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.4136 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.0668 | |
| 428 | G | A | -0.8822 | |
| 429 | S | A | -0.6941 | |
| 430 | S | A | -1.2457 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.3006 | |
| 433 | D | A | -2.5596 | |
| 434 | I | A | -1.4143 | |
| 435 | Q | A | -1.7866 | |
| 436 | R | A | -2.5501 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -0.9975 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.1590 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.3084 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3821 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.7828 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.3348 | |
| 452 | N | A | -2.0092 | |
| 453 | Y | A | -1.1810 | |
| 454 | Q | A | 0.0000 | |
| 455 | Y | A | 0.0000 | |
| 456 | A | A | 0.0000 | |
| 457 | I | A | 0.0000 | |
| 458 | L | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | S | A | 0.0000 | |
| 461 | D | A | 0.0217 | |
| 462 | Y | A | 0.9503 | |
| 463 | S | A | 0.4125 | |
| 464 | F | A | 0.4381 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.8349 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5832 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6480 | |
| 472 | A | A | -1.8331 | |
| 473 | E | A | -2.8218 | |
| 474 | K | A | -2.8094 | |
| 475 | A | A | -1.6512 | |
| 476 | K | A | -1.6903 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5813 | |
| 479 | K | A | -1.5132 | |
| 480 | F | A | -0.7512 | |
| 481 | Q | A | -1.1695 | |
| 482 | E | A | -1.7822 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.4404 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.7260 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.4271 | |
| 490 | S | A | -0.1338 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2491 | |
| 493 | H | A | -0.6055 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.4481 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.6802 | |
| 498 | K | A | -2.9245 | |
| 499 | R | A | -2.2423 | |
| 500 | N | A | -1.5431 | |
| 501 | F | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | F | A | 0.0000 | |
| 504 | A | A | 0.0000 | |
| 505 | S | A | 0.0000 | |
| 506 | S | A | 0.0000 | |
| 507 | F | A | -0.5823 | |
| 508 | K | A | -2.0846 | |
| 509 | G | A | -1.7482 | |
| 510 | N | A | -1.6720 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -1.1614 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 0.8612 | |
| 518 | I | A | 2.4949 | |
| 519 | V | A | 1.8937 | |
| 520 | D | A | 0.7595 | |
| 521 | L | A | 0.6644 | |
| 522 | S | A | -0.5653 | |
| 523 | A | A | -0.1368 | |
| 1 | Q | B | -1.4653 | |
| 2 | V | B | -0.8655 | |
| 3 | Q | B | -1.1644 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.0493 | |
| 6 | Q | B | 0.0000 | |
| 7 | S | B | -0.5954 | |
| 8 | G | B | -0.5086 | |
| 9 | A | B | 0.1803 | |
| 10 | E | B | -0.0912 | |
| 11 | V | B | 0.9496 | |
| 12 | K | B | -0.8815 | |
| 13 | K | B | -2.0228 | |
| 14 | P | B | -2.0112 | |
| 15 | G | B | -1.4553 | |
| 16 | A | B | -1.1758 | |
| 17 | S | B | -1.3475 | |
| 18 | V | B | 0.0000 | |
| 19 | K | B | -2.0716 | |
| 20 | V | B | 0.0000 | |
| 21 | S | B | -0.7589 | |
| 22 | C | B | 0.0000 | |
| 23 | K | B | -0.9993 | |
| 24 | T | B | 0.0000 | |
| 25 | S | B | -0.7776 | |
| 26 | G | B | -1.0042 | |
| 27 | F | B | -0.4629 | |
| 28 | S | B | -0.2825 | |
| 29 | F | B | 0.0000 | |
| 30 | T | B | -0.8690 | |
| 31 | S | B | -0.5075 | |
| 32 | Y | B | 0.0000 | |
| 33 | D | B | 0.0000 | |
| 34 | V | B | 0.0000 | |
| 35 | N | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.5000 | |
| 40 | A | B | -0.8732 | |
| 41 | T | B | -0.7847 | |
| 42 | G | B | -1.1283 | |
| 43 | Q | B | -1.6791 | |
| 44 | G | B | -1.0794 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.6185 | |
| 47 | W | B | 0.0000 | |
| 48 | M | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | W | B | 0.0000 | |
| 51 | M | B | 0.0000 | |
| 52 | N | B | 0.0000 | |
| 53 | V | B | 0.0000 | |
| 54 | N | B | -1.7650 | |
| 55 | S | B | -1.2726 | |
| 56 | G | B | -1.0575 | |
| 57 | K | B | -1.0213 | |
| 58 | T | B | -0.3109 | |
| 59 | A | B | -0.3202 | |
| 60 | Y | B | -0.9176 | |
| 61 | A | B | -1.8436 | |
| 62 | E | B | -3.3062 | |
| 63 | K | B | -2.9977 | |
| 64 | F | B | 0.0000 | |
| 65 | Q | B | -2.6186 | |
| 66 | G | B | -1.7218 | |
| 67 | R | B | -1.5907 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.7715 | |
| 70 | V | B | 0.0000 | |
| 71 | T | B | -0.8230 | |
| 72 | R | B | -1.2002 | |
| 73 | N | B | -0.8660 | |
| 74 | T | B | -0.5528 | |
| 75 | S | B | 0.1362 | |
| 76 | I | B | 0.8266 | |
| 77 | N | B | -0.6080 | |
| 78 | T | B | 0.0000 | |
| 79 | A | B | 0.0000 | |
| 80 | Y | B | -0.8907 | |
| 81 | M | B | 0.0000 | |
| 82 | E | B | -1.4308 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.0987 | |
| 85 | S | B | -1.1178 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -2.5466 | |
| 88 | S | B | -2.1192 | |
| 89 | E | B | -2.3768 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.5716 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.4293 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | V | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | Y | B | 0.0000 | |
| 102 | S | B | 0.0000 | |
| 103 | H | B | 0.0000 | |
| 104 | G | B | 0.0000 | |
| 105 | D | B | 0.0000 | |
| 106 | S | B | 0.0000 | |
| 107 | D | B | 0.0000 | |
| 108 | Y | B | -0.0168 | |
| 109 | W | B | 0.0000 | |
| 110 | G | B | 0.0000 | |
| 111 | Q | B | -1.3461 | |
| 112 | G | B | -0.5667 | |
| 113 | T | B | 0.0000 | |
| 114 | L | B | 0.7800 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | -0.0852 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -0.9120 | |
| 119 | S | B | -0.8940 | |
| 120 | A | B | -0.2384 | |
| 1 | D | C | -2.4547 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.1536 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.0306 | |
| 6 | Q | C | -0.7094 | |
| 7 | S | C | -0.6296 | |
| 8 | P | C | -0.5887 | |
| 9 | S | C | -0.8605 | |
| 10 | S | C | -1.2296 | |
| 11 | V | C | -0.9412 | |
| 12 | S | C | -1.4523 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.8721 | |
| 15 | V | C | -0.1303 | |
| 16 | G | C | -0.8039 | |
| 17 | D | C | -1.6334 | |
| 18 | R | C | -2.2833 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.5845 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.7214 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.1816 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.3986 | |
| 27 | R | C | -3.5031 | |
| 28 | R | C | -3.0325 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | 0.0000 | |
| 31 | N | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | C | 0.0000 | |
| 34 | A | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | 0.0000 | |
| 39 | Q | C | -1.6951 | |
| 40 | P | C | -1.1485 | |
| 41 | G | C | -1.5725 | |
| 42 | K | C | -2.5050 | |
| 43 | A | C | -1.5948 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.3708 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.0000 | |
| 50 | A | C | 0.0000 | |
| 51 | A | C | 0.0000 | |
| 52 | S | C | -0.2662 | |
| 53 | S | C | 0.0000 | |
| 54 | L | C | -0.1092 | |
| 55 | Q | C | -1.0116 | |
| 56 | R | C | -1.9709 | |
| 57 | G | C | -1.2951 | |
| 58 | V | C | -0.8544 | |
| 59 | P | C | -0.5932 | |
| 60 | S | C | -0.4076 | |
| 61 | R | C | -0.7214 | |
| 62 | F | C | 0.0000 | |
| 63 | T | C | -0.1331 | |
| 64 | G | C | 0.0000 | |
| 65 | S | C | -0.4829 | |
| 66 | G | C | -0.7124 | |
| 67 | Y | C | -0.4556 | |
| 68 | G | C | -1.5325 | |
| 69 | T | C | -2.2167 | |
| 70 | D | C | -2.5204 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.6159 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.5456 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.2683 | |
| 77 | S | C | -1.1316 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.9433 | |
| 80 | P | C | -1.3656 | |
| 81 | E | C | -1.9415 | |
| 82 | D | C | 0.0000 | |
| 83 | S | C | -1.6956 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | T | C | 0.0000 | |
| 92 | N | C | 0.0000 | |
| 93 | S | C | 0.1749 | |
| 94 | L | C | 0.1479 | |
| 95 | L | C | 0.0314 | |
| 96 | A | C | -0.6460 | |
| 97 | L | C | 0.0000 | |
| 98 | T | C | -0.5871 | |
| 99 | F | C | -0.2692 | |
| 100 | G | C | 0.0000 | |
| 101 | G | C | -1.1309 | |
| 102 | G | C | -0.9890 | |
| 103 | T | C | 0.0000 | |
| 104 | K | C | -2.3018 | |
| 105 | V | C | 0.0000 | |
| 106 | E | C | -2.3756 | |
| 107 | I | C | -1.5210 | |
| 108 | K | C | -1.7423 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6996 | 4.2983 | View | CSV | PDB |
| 4.5 | -0.7405 | 4.2986 | View | CSV | PDB |
| 5.0 | -0.7892 | 4.2993 | View | CSV | PDB |
| 5.5 | -0.8347 | 4.3017 | View | CSV | PDB |
| 6.0 | -0.8644 | 4.3192 | View | CSV | PDB |
| 6.5 | -0.869 | 4.3452 | View | CSV | PDB |
| 7.0 | -0.8496 | 4.3742 | View | CSV | PDB |
| 7.5 | -0.8147 | 4.4042 | View | CSV | PDB |
| 8.0 | -0.7716 | 4.4346 | View | CSV | PDB |
| 8.5 | -0.7224 | 4.4648 | View | CSV | PDB |
| 9.0 | -0.667 | 4.4941 | 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