| Chain sequence(s) |
A: MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:13:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/376be3ae75ce666/tmp/folded.pdb (00:13:45)
[INFO] Main: Simulation completed successfully. (00:19:15)
|
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 | M | A | 1.4627 | |
| 2 | L | A | 1.0536 | |
| 3 | R | A | -1.1524 | |
| 4 | G | A | -1.7508 | |
| 5 | G | A | -2.4021 | |
| 6 | R | A | -3.2655 | |
| 7 | R | A | -3.4212 | |
| 8 | G | A | -1.9960 | |
| 9 | Q | A | -1.1729 | |
| 10 | L | A | 0.8675 | |
| 11 | G | A | 0.4904 | |
| 12 | W | A | 0.7053 | |
| 13 | H | A | -0.3106 | |
| 14 | S | A | 0.1088 | |
| 15 | W | A | 0.9182 | |
| 16 | A | A | 0.6048 | |
| 17 | A | A | 0.0290 | |
| 18 | G | A | -0.6391 | |
| 19 | P | A | -0.7400 | |
| 20 | G | A | -0.4526 | |
| 21 | S | A | 0.6718 | |
| 22 | L | A | 2.1029 | |
| 23 | L | A | 2.7632 | |
| 24 | A | A | 2.5528 | |
| 25 | W | A | 3.0374 | |
| 26 | L | A | 3.6589 | |
| 27 | I | A | 3.8089 | |
| 28 | L | A | 2.9623 | |
| 29 | A | A | 1.2581 | |
| 30 | S | A | 0.4071 | |
| 31 | A | A | -0.0137 | |
| 32 | G | A | -0.4746 | |
| 33 | A | A | -0.1705 | |
| 34 | A | A | -0.0874 | |
| 35 | P | A | -0.3830 | |
| 36 | C | A | -0.6717 | |
| 37 | P | A | -1.2225 | |
| 38 | D | A | -2.1249 | |
| 39 | A | A | -1.7228 | |
| 40 | C | A | 0.0000 | |
| 41 | C | A | -1.1885 | |
| 42 | P | A | -1.2324 | |
| 43 | H | A | -1.3669 | |
| 44 | G | A | -1.1460 | |
| 45 | S | A | -0.9014 | |
| 46 | S | A | -1.3319 | |
| 47 | G | A | -1.2327 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | -1.3679 | |
| 50 | C | A | 0.0000 | |
| 51 | T | A | -1.9379 | |
| 52 | R | A | -3.2467 | |
| 53 | D | A | -3.2411 | |
| 54 | G | A | -2.4043 | |
| 55 | A | A | -1.9827 | |
| 56 | L | A | -1.8459 | |
| 57 | D | A | -2.4440 | |
| 58 | S | A | -1.6891 | |
| 59 | L | A | 0.0000 | |
| 60 | H | A | -1.8392 | |
| 61 | H | A | -1.7279 | |
| 62 | L | A | -1.1304 | |
| 63 | P | A | -0.9719 | |
| 64 | G | A | -1.5807 | |
| 65 | A | A | -2.1818 | |
| 66 | E | A | -3.1123 | |
| 67 | N | A | -2.6739 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.9123 | |
| 70 | E | A | -1.7239 | |
| 71 | L | A | 0.0000 | |
| 72 | Y | A | -0.3994 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -1.7136 | |
| 75 | N | A | -2.4856 | |
| 76 | Q | A | 0.0000 | |
| 77 | Q | A | -2.7221 | |
| 78 | H | A | -2.3741 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -2.3223 | |
| 81 | H | A | -1.7210 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -1.5096 | |
| 84 | L | A | -1.4112 | |
| 85 | R | A | -2.5960 | |
| 86 | D | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | R | A | -2.9067 | |
| 89 | G | A | -2.4666 | |
| 90 | L | A | 0.0000 | |
| 91 | G | A | -2.1571 | |
| 92 | E | A | -2.5396 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -2.8203 | |
| 95 | N | A | -2.0922 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.5138 | |
| 98 | I | A | 0.0000 | |
| 99 | V | A | 0.0000 | |
| 100 | K | A | -1.5431 | |
| 101 | S | A | 0.0000 | |
| 102 | G | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -2.3056 | |
| 105 | F | A | -0.8779 | |
| 106 | V | A | 0.0000 | |
| 107 | A | A | -0.7851 | |
| 108 | P | A | -1.3182 | |
| 109 | D | A | -2.4329 | |
| 110 | A | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | H | A | -1.9211 | |
| 113 | F | A | -1.3497 | |
| 114 | T | A | 0.0000 | |
| 115 | P | A | -1.5944 | |
| 116 | R | A | -2.6424 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | -2.2736 | |
| 119 | R | A | -2.7098 | |
| 120 | L | A | 0.0000 | |
| 121 | N | A | -0.4330 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | F | A | 0.8963 | |
| 125 | N | A | 0.0000 | |
| 126 | A | A | -1.1932 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.6590 | |
| 129 | S | A | -1.3894 | |
| 130 | L | A | 0.0000 | |
| 131 | S | A | -0.8582 | |
| 132 | W | A | -0.9438 | |
| 133 | K | A | -1.7488 | |
| 134 | T | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.9433 | |
| 137 | G | A | -1.2649 | |
| 138 | L | A | -1.4028 | |
| 139 | S | A | -1.3139 | |
| 140 | L | A | 0.0000 | |
| 141 | Q | A | -1.8037 | |
| 142 | E | A | -1.6052 | |
| 143 | L | A | 0.0000 | |
| 144 | V | A | -0.3594 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.5094 | |
| 147 | G | A | -0.0982 | |
| 148 | N | A | 0.0000 | |
| 149 | P | A | -1.5839 | |
| 150 | L | A | 0.0000 | |
| 151 | H | A | -2.3365 | |
| 152 | C | A | -1.5480 | |
| 153 | S | A | -0.7278 | |
| 154 | C | A | -0.8541 | |
| 155 | A | A | -0.8663 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -0.7681 | |
| 158 | W | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | Q | A | 0.0000 | |
| 161 | R | A | -2.0411 | |
| 162 | W | A | -1.6050 | |
| 163 | E | A | -2.5838 | |
| 164 | E | A | -3.1524 | |
| 165 | E | A | -3.0196 | |
| 166 | G | A | -2.0793 | |
| 167 | L | A | -1.1591 | |
| 168 | G | A | -1.1866 | |
| 169 | G | A | -1.2314 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -2.2376 | |
| 172 | E | A | -2.5195 | |
| 173 | Q | A | -2.1624 | |
| 174 | K | A | -2.7143 | |
| 175 | L | A | 0.0000 | |
| 176 | Q | A | -2.6034 | |
| 177 | C | A | 0.0000 | |
| 178 | H | A | -2.5105 | |
| 179 | G | A | -1.9012 | |
| 180 | Q | A | -2.3103 | |
| 181 | G | A | -1.6719 | |
| 182 | P | A | -1.8286 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | -1.6374 | |
| 185 | H | A | -1.5957 | |
| 186 | M | A | 0.0000 | |
| 187 | P | A | -1.1175 | |
| 188 | N | A | -1.5752 | |
| 189 | A | A | -0.7351 | |
| 190 | S | A | -0.7598 | |
| 191 | C | A | -0.9860 | |
| 192 | G | A | -0.8665 | |
| 193 | V | A | -0.5882 | |
| 194 | P | A | 0.0000 | |
| 195 | T | A | -1.4443 | |
| 196 | L | A | -1.3513 | |
| 197 | K | A | -2.2178 | |
| 198 | V | A | -1.3800 | |
| 199 | Q | A | -1.8640 | |
| 200 | V | A | -0.7236 | |
| 201 | P | A | -0.9057 | |
| 202 | N | A | -1.3380 | |
| 203 | A | A | -0.8810 | |
| 204 | S | A | -1.1256 | |
| 205 | V | A | 0.0000 | |
| 206 | D | A | -1.3519 | |
| 207 | V | A | -0.6696 | |
| 208 | G | A | -1.5985 | |
| 209 | D | A | -2.6079 | |
| 210 | D | A | -2.5201 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | -0.0144 | |
| 213 | L | A | 0.0000 | |
| 214 | R | A | -2.1654 | |
| 215 | C | A | 0.0000 | |
| 216 | Q | A | -2.2571 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.6132 | |
| 219 | G | A | -2.1656 | |
| 220 | R | A | -2.9105 | |
| 221 | G | A | -2.3717 | |
| 222 | L | A | -2.1397 | |
| 223 | E | A | -2.8076 | |
| 224 | Q | A | -1.6772 | |
| 225 | A | A | -0.8292 | |
| 226 | G | A | -0.3769 | |
| 227 | W | A | 0.0000 | |
| 228 | I | A | 0.2195 | |
| 229 | L | A | -0.4033 | |
| 230 | T | A | -0.6940 | |
| 231 | E | A | -1.8527 | |
| 232 | L | A | 0.0000 | |
| 233 | E | A | -2.4425 | |
| 234 | Q | A | -2.5298 | |
| 235 | S | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | T | A | -1.0752 | |
| 238 | V | A | -0.8096 | |
| 239 | M | A | -0.2425 | |
| 240 | K | A | -1.4304 | |
| 241 | S | A | -1.2652 | |
| 242 | G | A | -1.1475 | |
| 243 | G | A | -0.5904 | |
| 244 | L | A | -0.0873 | |
| 245 | P | A | -0.6497 | |
| 246 | S | A | -1.1552 | |
| 247 | L | A | -1.0997 | |
| 248 | G | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | T | A | -0.4865 | |
| 251 | L | A | 0.0000 | |
| 252 | A | A | -1.3166 | |
| 253 | N | A | -2.2704 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -1.1738 | |
| 256 | S | A | -1.1402 | |
| 257 | D | A | -2.3848 | |
| 258 | L | A | 0.0000 | |
| 259 | N | A | 0.0000 | |
| 260 | R | A | -2.9217 | |
| 261 | K | A | -2.6942 | |
| 262 | N | A | -2.1030 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | -0.5584 | |
| 265 | C | A | 0.0000 | |
| 266 | W | A | -0.7713 | |
| 267 | A | A | 0.0000 | |
| 268 | E | A | 0.0000 | |
| 269 | N | A | 0.0000 | |
| 270 | D | A | -2.4490 | |
| 271 | V | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | R | A | -1.4504 | |
| 274 | A | A | -0.8461 | |
| 275 | E | A | -1.6725 | |
| 276 | V | A | -0.7196 | |
| 277 | S | A | -0.9037 | |
| 278 | V | A | -1.0758 | |
| 279 | Q | A | -2.1699 | |
| 280 | V | A | 0.0000 | |
| 281 | N | A | -1.6766 | |
| 282 | V | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | P | A | -0.2680 | |
| 286 | A | A | 0.0000 | |
| 287 | S | A | -0.8338 | |
| 288 | V | A | 0.0000 | |
| 289 | Q | A | -1.3430 | |
| 290 | L | A | -0.6370 | |
| 291 | H | A | -0.5339 | |
| 292 | T | A | 0.0758 | |
| 293 | A | A | -0.1323 | |
| 294 | V | A | -0.7604 | |
| 295 | E | A | -1.9933 | |
| 296 | M | A | -1.0879 | |
| 297 | H | A | -1.5802 | |
| 298 | H | A | -1.2010 | |
| 299 | W | A | -1.1170 | |
| 300 | C | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | S | A | -0.6165 | |
| 305 | V | A | 0.0000 | |
| 306 | D | A | -0.7649 | |
| 307 | G | A | 0.0000 | |
| 308 | Q | A | -0.3874 | |
| 309 | P | A | -0.3246 | |
| 310 | A | A | -0.2238 | |
| 311 | P | A | 0.0000 | |
| 312 | S | A | -0.5814 | |
| 313 | L | A | -0.6857 | |
| 314 | R | A | -1.6246 | |
| 315 | W | A | 0.0000 | |
| 316 | L | A | -0.2745 | |
| 317 | F | A | -0.3418 | |
| 318 | N | A | -1.3112 | |
| 319 | G | A | -0.8365 | |
| 320 | S | A | -0.2187 | |
| 321 | V | A | 0.2894 | |
| 322 | L | A | -0.5373 | |
| 323 | N | A | -1.5842 | |
| 324 | E | A | -1.4771 | |
| 325 | T | A | -0.1863 | |
| 326 | S | A | 0.5498 | |
| 327 | F | A | 1.4345 | |
| 328 | I | A | 0.3326 | |
| 329 | F | A | 0.1732 | |
| 330 | T | A | -0.4220 | |
| 331 | E | A | -0.5707 | |
| 332 | F | A | -0.2226 | |
| 333 | L | A | -0.8769 | |
| 334 | E | A | -1.8283 | |
| 335 | P | A | -1.5928 | |
| 336 | A | A | -1.2883 | |
| 337 | A | A | -1.3974 | |
| 338 | N | A | -2.5835 | |
| 339 | E | A | -2.7756 | |
| 340 | T | A | -1.6690 | |
| 341 | V | A | -0.6883 | |
| 342 | R | A | -0.8578 | |
| 343 | H | A | -0.7412 | |
| 344 | G | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | -0.5142 | |
| 348 | L | A | 0.0000 | |
| 349 | N | A | -0.5681 | |
| 350 | Q | A | -1.3006 | |
| 351 | P | A | -0.0518 | |
| 352 | T | A | -0.0621 | |
| 353 | H | A | 0.2587 | |
| 354 | V | A | 1.0013 | |
| 355 | N | A | 0.3555 | |
| 356 | N | A | -0.0141 | |
| 357 | G | A | 0.0000 | |
| 358 | N | A | -0.5908 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.2709 | |
| 361 | L | A | 0.0000 | |
| 362 | L | A | -0.6504 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | -0.8155 | |
| 365 | N | A | -0.3999 | |
| 366 | P | A | -0.0894 | |
| 367 | F | A | 0.5703 | |
| 368 | G | A | -0.3963 | |
| 369 | Q | A | -1.1673 | |
| 370 | A | A | -0.8850 | |
| 371 | S | A | -0.7859 | |
| 372 | A | A | -0.4325 | |
| 373 | S | A | -0.2925 | |
| 374 | I | A | 0.3644 | |
| 375 | M | A | 0.7209 | |
| 376 | A | A | 0.0000 | |
| 377 | A | A | 0.1640 | |
| 378 | F | A | -0.1540 | |
| 379 | M | A | -0.2679 | |
| 380 | D | A | -1.4034 | |
| 381 | N | A | -0.9578 | |
| 382 | P | A | -0.6241 | |
| 383 | F | A | 0.0054 | |
| 384 | E | A | -0.9725 | |
| 385 | F | A | -0.1627 | |
| 386 | N | A | -1.6130 | |
| 387 | P | A | -1.4237 | |
| 388 | E | A | -2.5491 | |
| 389 | D | A | -2.4207 | |
| 390 | P | A | -0.4449 | |
| 391 | I | A | 1.5648 | |
| 392 | P | A | 1.4484 | |
| 393 | V | A | 2.5488 | |
| 394 | S | A | 1.6873 | |
| 395 | F | A | 2.1091 | |
| 396 | S | A | 1.1464 | |
| 397 | P | A | 0.4539 | |
| 398 | V | A | 0.7313 | |
| 399 | D | A | -1.3448 | |
| 400 | T | A | -1.2664 | |
| 401 | N | A | -1.8636 | |
| 402 | S | A | -1.2898 | |
| 403 | T | A | -0.8817 | |
| 404 | S | A | -1.1774 | |
| 405 | G | A | -1.3376 | |
| 406 | D | A | -2.0041 | |
| 407 | P | A | -1.0521 | |
| 408 | V | A | -0.4101 | |
| 409 | E | A | -2.7533 | |
| 410 | K | A | -3.6749 | |
| 411 | K | A | -4.0888 | |
| 412 | D | A | -4.2330 | |
| 413 | E | A | -3.1306 | |
| 414 | T | A | -1.0448 | |
| 415 | P | A | 0.4224 | |
| 416 | F | A | 1.9698 | |
| 417 | G | A | 1.4435 | |
| 418 | V | A | 2.7941 | |
| 419 | S | A | 2.2068 | |
| 420 | V | A | 2.5875 | |
| 421 | A | A | 2.8526 | |
| 422 | V | A | 3.4911 | |
| 423 | G | A | 2.9478 | |
| 424 | L | A | 3.8957 | |
| 425 | A | A | 3.4528 | |
| 426 | V | A | 4.6592 | |
| 427 | F | A | 4.8261 | |
| 428 | A | A | 3.6463 | |
| 429 | C | A | 3.6868 | |
| 430 | L | A | 4.3447 | |
| 431 | F | A | 3.9994 | |
| 432 | L | A | 3.6417 | |
| 433 | S | A | 2.9987 | |
| 434 | T | A | 2.7593 | |
| 435 | L | A | 3.0958 | |
| 436 | L | A | 3.3369 | |
| 437 | L | A | 2.8087 | |
| 438 | V | A | 2.1580 | |
| 439 | L | A | 1.9636 | |
| 440 | N | A | -0.3159 | |
| 441 | K | A | -0.8413 | |
| 442 | C | A | -0.4673 | |
| 443 | G | A | -2.0418 | |
| 444 | R | A | -3.6536 | |
| 445 | R | A | -3.8471 | |
| 446 | N | A | -3.0818 | |
| 447 | K | A | -2.0628 | |
| 448 | F | A | 0.8134 | |
| 449 | G | A | 0.4080 | |
| 450 | I | A | 1.0076 | |
| 451 | N | A | -1.3804 | |
| 452 | R | A | -1.9138 | |
| 453 | P | A | -0.7492 | |
| 454 | A | A | 0.7822 | |
| 455 | V | A | 2.2067 | |
| 456 | L | A | 2.1681 | |
| 457 | A | A | 0.5745 | |
| 458 | P | A | -0.9874 | |
| 459 | E | A | -2.4792 | |
| 460 | D | A | -2.5617 | |
| 461 | G | A | -1.2774 | |
| 462 | L | A | 0.5404 | |
| 463 | A | A | 0.4893 | |
| 464 | M | A | 0.2470 | |
| 465 | S | A | 0.0226 | |
| 466 | L | A | 0.0000 | |
| 467 | H | A | 0.1824 | |
| 468 | F | A | 0.4122 | |
| 469 | M | A | 0.1350 | |
| 470 | T | A | -0.0683 | |
| 471 | L | A | 0.7364 | |
| 472 | G | A | -0.4048 | |
| 473 | G | A | -0.3061 | |
| 474 | S | A | -0.1116 | |
| 475 | S | A | 0.1883 | |
| 476 | L | A | 1.1631 | |
| 477 | S | A | 0.1081 | |
| 478 | P | A | -0.5189 | |
| 479 | T | A | -1.2016 | |
| 480 | E | A | -2.5734 | |
| 481 | G | A | -2.3743 | |
| 482 | K | A | -2.6397 | |
| 483 | G | A | -1.6403 | |
| 484 | S | A | -0.9557 | |
| 485 | G | A | -0.3925 | |
| 486 | L | A | 0.6381 | |
| 487 | Q | A | -0.6818 | |
| 488 | G | A | -0.3510 | |
| 489 | H | A | -0.8670 | |
| 490 | I | A | -0.0011 | |
| 491 | I | A | -0.2002 | |
| 492 | E | A | -1.3962 | |
| 493 | N | A | 0.0000 | |
| 494 | P | A | -0.3588 | |
| 495 | Q | A | -0.1569 | |
| 496 | Y | A | 1.3866 | |
| 497 | F | A | 1.6430 | |
| 498 | S | A | 0.1552 | |
| 499 | D | A | -1.1488 | |
| 500 | A | A | -0.3178 | |
| 501 | C | A | -0.0482 | |
| 502 | V | A | -0.4310 | |
| 503 | H | A | -1.0362 | |
| 504 | H | A | -1.8684 | |
| 505 | I | A | 0.0000 | |
| 506 | K | A | -3.5357 | |
| 507 | R | A | -3.1739 | |
| 508 | R | A | -2.7711 | |
| 509 | D | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | V | A | 0.5567 | |
| 512 | L | A | 0.6788 | |
| 513 | K | A | 0.0254 | |
| 514 | W | A | 0.0000 | |
| 515 | E | A | -0.7607 | |
| 516 | L | A | -0.3576 | |
| 517 | G | A | -1.1652 | |
| 518 | E | A | -2.2037 | |
| 519 | G | A | -1.2299 | |
| 520 | A | A | -0.4741 | |
| 521 | F | A | -0.5621 | |
| 522 | G | A | 0.0000 | |
| 523 | K | A | -1.7719 | |
| 524 | V | A | 0.0000 | |
| 525 | F | A | -0.2201 | |
| 526 | L | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | E | A | 0.0284 | |
| 529 | C | A | 0.0000 | |
| 530 | H | A | -2.3453 | |
| 531 | N | A | -2.7887 | |
| 532 | L | A | -1.6461 | |
| 533 | L | A | -1.3358 | |
| 534 | P | A | -1.8653 | |
| 535 | E | A | -2.8298 | |
| 536 | Q | A | -3.0121 | |
| 537 | D | A | -3.6224 | |
| 538 | K | A | -3.1037 | |
| 539 | M | A | -1.0574 | |
| 540 | L | A | 0.1658 | |
| 541 | V | A | 0.0000 | |
| 542 | A | A | 0.0000 | |
| 543 | V | A | 0.0000 | |
| 544 | K | A | 0.0000 | |
| 545 | A | A | 0.0000 | |
| 546 | L | A | 0.0000 | |
| 547 | K | A | -2.9071 | |
| 548 | E | A | -3.2133 | |
| 549 | A | A | -2.5503 | |
| 550 | S | A | -2.1325 | |
| 551 | E | A | -2.8413 | |
| 552 | S | A | -1.9468 | |
| 553 | A | A | -2.2074 | |
| 554 | R | A | -2.7268 | |
| 555 | Q | A | -2.5729 | |
| 556 | D | A | -1.6815 | |
| 557 | F | A | 0.0000 | |
| 558 | Q | A | -1.4678 | |
| 559 | R | A | -1.5503 | |
| 560 | E | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | E | A | -0.7527 | |
| 563 | L | A | -0.0593 | |
| 564 | L | A | 0.0000 | |
| 565 | T | A | -0.2934 | |
| 566 | M | A | 0.1442 | |
| 567 | L | A | 0.0000 | |
| 568 | Q | A | -1.4909 | |
| 569 | H | A | -1.5152 | |
| 570 | Q | A | -1.6404 | |
| 571 | H | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | V | A | 0.0000 | |
| 574 | R | A | -1.2807 | |
| 575 | F | A | 0.0000 | |
| 576 | F | A | -0.3413 | |
| 577 | G | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | C | A | 0.0000 | |
| 580 | T | A | -2.0762 | |
| 581 | E | A | -3.3295 | |
| 582 | G | A | -2.5409 | |
| 583 | R | A | -3.0922 | |
| 584 | P | A | -2.4462 | |
| 585 | L | A | 0.0000 | |
| 586 | L | A | 0.0000 | |
| 587 | M | A | 0.0000 | |
| 588 | V | A | 0.0000 | |
| 589 | F | A | 0.0000 | |
| 590 | E | A | -0.4071 | |
| 591 | Y | A | -0.4502 | |
| 592 | M | A | 0.0000 | |
| 593 | R | A | -1.9094 | |
| 594 | H | A | -1.5616 | |
| 595 | G | A | -1.0162 | |
| 596 | D | A | -0.9621 | |
| 597 | L | A | 0.0000 | |
| 598 | N | A | 0.0000 | |
| 599 | R | A | -2.0148 | |
| 600 | F | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | R | A | -2.0609 | |
| 603 | S | A | -0.9872 | |
| 604 | H | A | 0.0000 | |
| 605 | G | A | 0.0000 | |
| 606 | P | A | -1.4298 | |
| 607 | D | A | -2.2800 | |
| 608 | A | A | -1.2167 | |
| 609 | K | A | -1.2049 | |
| 610 | L | A | 1.0398 | |
| 611 | L | A | 1.3381 | |
| 612 | A | A | 0.4617 | |
| 613 | G | A | -0.6797 | |
| 614 | G | A | -1.8572 | |
| 615 | E | A | -2.6280 | |
| 616 | D | A | -2.1600 | |
| 617 | V | A | 0.0000 | |
| 618 | A | A | -0.6772 | |
| 619 | P | A | -0.1587 | |
| 620 | G | A | 0.1908 | |
| 621 | P | A | -0.5936 | |
| 622 | L | A | 0.0000 | |
| 623 | G | A | -0.4777 | |
| 624 | L | A | 0.1240 | |
| 625 | G | A | -0.6093 | |
| 626 | Q | A | -0.6747 | |
| 627 | L | A | 0.0000 | |
| 628 | L | A | 0.0000 | |
| 629 | A | A | -0.4870 | |
| 630 | V | A | 0.0000 | |
| 631 | A | A | 0.0000 | |
| 632 | S | A | -0.6285 | |
| 633 | Q | A | -0.3512 | |
| 634 | V | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | A | A | -0.5839 | |
| 637 | G | A | 0.0000 | |
| 638 | M | A | 0.0000 | |
| 639 | V | A | -0.5087 | |
| 640 | Y | A | -0.3615 | |
| 641 | L | A | 0.0000 | |
| 642 | A | A | -0.6269 | |
| 643 | G | A | -0.6224 | |
| 644 | L | A | -0.1195 | |
| 645 | H | A | -1.1267 | |
| 646 | F | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | H | A | -0.4509 | |
| 649 | R | A | 0.0000 | |
| 650 | D | A | -0.4783 | |
| 651 | L | A | 0.0000 | |
| 652 | A | A | 0.0000 | |
| 653 | T | A | 0.0000 | |
| 654 | R | A | 0.0000 | |
| 655 | N | A | 0.0000 | |
| 656 | C | A | 0.0000 | |
| 657 | L | A | 0.0000 | |
| 658 | V | A | 0.0000 | |
| 659 | G | A | 0.0000 | |
| 660 | Q | A | -2.0113 | |
| 661 | G | A | -1.3855 | |
| 662 | L | A | -0.5372 | |
| 663 | V | A | -0.0835 | |
| 664 | V | A | 0.0000 | |
| 665 | K | A | -0.4199 | |
| 666 | I | A | 0.0000 | |
| 667 | G | A | 0.0000 | |
| 668 | D | A | -1.7524 | |
| 669 | F | A | 0.0000 | |
| 670 | G | A | -1.0583 | |
| 671 | M | A | -0.8900 | |
| 672 | S | A | -0.3630 | |
| 673 | R | A | 0.0000 | |
| 674 | D | A | -1.2409 | |
| 675 | I | A | 0.8804 | |
| 676 | Y | A | 0.0000 | |
| 677 | S | A | -0.1343 | |
| 678 | T | A | -0.0608 | |
| 679 | D | A | 0.0000 | |
| 680 | Y | A | 0.0000 | |
| 681 | Y | A | -0.5298 | |
| 682 | R | A | -2.0083 | |
| 683 | V | A | -1.0146 | |
| 684 | G | A | -1.3766 | |
| 685 | G | A | -1.8712 | |
| 686 | R | A | -2.3427 | |
| 687 | T | A | -1.2390 | |
| 688 | M | A | -0.5876 | |
| 689 | L | A | 0.0000 | |
| 690 | P | A | 0.0000 | |
| 691 | I | A | 0.0000 | |
| 692 | R | A | 0.0000 | |
| 693 | W | A | 0.0000 | |
| 694 | M | A | 0.0000 | |
| 695 | P | A | 0.0000 | |
| 696 | P | A | 0.0000 | |
| 697 | E | A | 0.0000 | |
| 698 | S | A | 0.0000 | |
| 699 | I | A | 0.7188 | |
| 700 | L | A | 1.0894 | |
| 701 | Y | A | 1.2158 | |
| 702 | R | A | 0.1283 | |
| 703 | K | A | -0.2013 | |
| 704 | F | A | 0.0000 | |
| 705 | T | A | -0.4960 | |
| 706 | T | A | -0.6096 | |
| 707 | E | A | -1.4056 | |
| 708 | S | A | 0.0000 | |
| 709 | D | A | 0.0000 | |
| 710 | V | A | 0.0000 | |
| 711 | W | A | 0.0000 | |
| 712 | S | A | 0.0000 | |
| 713 | F | A | 0.0000 | |
| 714 | G | A | 0.0000 | |
| 715 | V | A | 0.0000 | |
| 716 | V | A | 0.0000 | |
| 717 | L | A | 0.0000 | |
| 718 | W | A | 0.0000 | |
| 719 | E | A | 0.0000 | |
| 720 | I | A | 0.0000 | |
| 721 | F | A | 0.0000 | |
| 722 | T | A | -0.7739 | |
| 723 | Y | A | -0.9997 | |
| 724 | G | A | 0.0000 | |
| 725 | K | A | -0.9218 | |
| 726 | Q | A | -0.1424 | |
| 727 | P | A | 0.0000 | |
| 728 | W | A | -0.2445 | |
| 729 | Y | A | 0.6235 | |
| 730 | Q | A | -0.6780 | |
| 731 | L | A | -0.4675 | |
| 732 | S | A | -0.8289 | |
| 733 | N | A | -0.9966 | |
| 734 | T | A | -1.1869 | |
| 735 | E | A | -2.2452 | |
| 736 | A | A | 0.0000 | |
| 737 | I | A | -1.2344 | |
| 738 | D | A | -2.7248 | |
| 739 | C | A | -2.3042 | |
| 740 | I | A | 0.0000 | |
| 741 | T | A | -1.7521 | |
| 742 | Q | A | -2.5516 | |
| 743 | G | A | -2.6739 | |
| 744 | R | A | -3.2769 | |
| 745 | E | A | -2.8597 | |
| 746 | L | A | 0.0000 | |
| 747 | E | A | -2.9176 | |
| 748 | R | A | -2.6115 | |
| 749 | P | A | 0.0000 | |
| 750 | R | A | -2.1541 | |
| 751 | A | A | -0.8153 | |
| 752 | C | A | 0.0000 | |
| 753 | P | A | 0.0000 | |
| 754 | P | A | -0.6301 | |
| 755 | E | A | -0.8850 | |
| 756 | V | A | 0.0000 | |
| 757 | Y | A | -1.0300 | |
| 758 | A | A | -0.8455 | |
| 759 | I | A | 0.0000 | |
| 760 | M | A | 0.0000 | |
| 761 | R | A | -2.0739 | |
| 762 | G | A | 0.0000 | |
| 763 | C | A | 0.0000 | |
| 764 | W | A | 0.0000 | |
| 765 | Q | A | -2.5643 | |
| 766 | R | A | -2.9006 | |
| 767 | E | A | -2.4225 | |
| 768 | P | A | -2.1529 | |
| 769 | Q | A | -2.5838 | |
| 770 | Q | A | -2.7137 | |
| 771 | R | A | 0.0000 | |
| 772 | H | A | -2.5062 | |
| 773 | S | A | -2.1667 | |
| 774 | I | A | 0.0000 | |
| 775 | K | A | -2.8901 | |
| 776 | D | A | -3.2888 | |
| 777 | V | A | 0.0000 | |
| 778 | H | A | -2.0755 | |
| 779 | A | A | -2.0273 | |
| 780 | R | A | -2.3545 | |
| 781 | L | A | 0.0000 | |
| 782 | Q | A | -1.8826 | |
| 783 | A | A | -1.1776 | |
| 784 | L | A | -0.9595 | |
| 785 | A | A | -1.1326 | |
| 786 | Q | A | -1.5395 | |
| 787 | A | A | -0.4754 | |
| 788 | P | A | -0.1251 | |
| 789 | P | A | 0.8493 | |
| 790 | V | A | 2.3384 | |
| 791 | Y | A | 2.1044 | |
| 792 | L | A | 2.3297 | |
| 793 | D | A | 1.0019 | |
| 794 | V | A | 2.5848 | |
| 795 | L | A | 1.9386 | |
| 796 | G | A | 0.5054 |
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 | -0.2583 | 8.2829 | View | CSV | PDB |
| 4.5 | -0.3194 | 8.2829 | View | CSV | PDB |
| 5.0 | -0.3952 | 8.2829 | View | CSV | PDB |
| 5.5 | -0.4721 | 8.2829 | View | CSV | PDB |
| 6.0 | -0.5366 | 8.2829 | View | CSV | PDB |
| 6.5 | -0.5807 | 8.2829 | View | CSV | PDB |
| 7.0 | -0.6059 | 8.2829 | View | CSV | PDB |
| 7.5 | -0.6198 | 8.2829 | View | CSV | PDB |
| 8.0 | -0.6276 | 8.2829 | View | CSV | PDB |
| 8.5 | -0.6299 | 8.2829 | View | CSV | PDB |
| 9.0 | -0.6248 | 8.2829 | 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