| Chain sequence(s) |
A: MLRGGRRGQLGWHSWAAGPGSLLAWLILASAGAAPCPDACCPHGSSGLRCTRDGALDSLHHLPGAENLTELYIENQQHLQHLELRDLRGLGELRNLTIVKSGLRFVAPDAFHFTPRLSRLNLSFNALESLSWKTVQGLSLQELVLSGNPLHCSCALRWLQRWEEEGLGGVPEQKLQCHGQGPLAHMPNASCGVPTLKVQVPNASVDVGDDVLLRCQVEGRGLEQAGWILTELEQSATVMKSGGLPSLGLTLANVTSDLNRKNVTCWAENDVGRAEVSVQVNVSFPASVQLHTAVEMHHWCIPFSVDGQPAPSLRWLFNGSVLNETSFIFTEFLEPAANETVRHGCLRLNQPTHVNNGNYTLLAANPFGQASASIMAAFMDNPFEFNPEDPIPVSFSPVDTNSTSGDPVEKKDETPFGVSVAVGLAVFACLFLSTLLLVLNKCGRRNKFGINRPAVLAPEDGLAMSLHFMTLGGSSLSPTEGKGSGLQGHIIENPQYFSDACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQQQHIVRFFGVCTEGRPLLMVFQYMRHGDLNRFLRSHGPDAKLLAGGEDVAPGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGGRTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c3f3d9fd5a164f0/tmp/folded.pdb (00:14:09)
[INFO] Main: Simulation completed successfully. (00:19:33)
|
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 | 1.4629 | |
| 2 | L | A | 1.0540 | |
| 3 | R | A | -1.1529 | |
| 4 | G | A | -1.7512 | |
| 5 | G | A | -2.4023 | |
| 6 | R | A | -3.2653 | |
| 7 | R | A | -3.4210 | |
| 8 | G | A | -1.9961 | |
| 9 | Q | A | -1.1729 | |
| 10 | L | A | 0.8674 | |
| 11 | G | A | 0.4905 | |
| 12 | W | A | 0.7053 | |
| 13 | H | A | -0.3106 | |
| 14 | S | A | 0.1088 | |
| 15 | W | A | 0.9182 | |
| 16 | A | A | 0.6049 | |
| 17 | A | A | 0.0291 | |
| 18 | G | A | -0.6391 | |
| 19 | P | A | -0.7400 | |
| 20 | G | A | -0.4525 | |
| 21 | S | A | 0.6718 | |
| 22 | L | A | 2.1029 | |
| 23 | L | A | 2.7632 | |
| 24 | A | A | 2.5529 | |
| 25 | W | A | 3.0376 | |
| 26 | L | A | 3.6590 | |
| 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 | -0.1704 | |
| 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 | -1.1884 | |
| 42 | P | A | -1.2300 | |
| 43 | H | A | -1.3639 | |
| 44 | G | A | -1.1423 | |
| 45 | S | A | -0.8950 | |
| 46 | S | A | -1.3081 | |
| 47 | G | A | -1.2255 | |
| 48 | L | A | 0.0000 | |
| 49 | R | A | -1.3674 | |
| 50 | C | A | 0.0000 | |
| 51 | T | A | -1.9376 | |
| 52 | R | A | -3.2467 | |
| 53 | D | A | -3.2408 | |
| 54 | G | A | -2.4036 | |
| 55 | A | A | -1.9823 | |
| 56 | L | A | -1.8453 | |
| 57 | D | A | -2.4431 | |
| 58 | S | A | -1.6889 | |
| 59 | L | A | 0.0000 | |
| 60 | H | A | -1.8393 | |
| 61 | H | A | -1.7279 | |
| 62 | L | A | -1.1304 | |
| 63 | P | A | -0.9719 | |
| 64 | G | A | -1.5788 | |
| 65 | A | A | -2.1659 | |
| 66 | E | A | -3.0900 | |
| 67 | N | A | -2.6416 | |
| 68 | L | A | 0.0000 | |
| 69 | T | A | -1.8698 | |
| 70 | E | A | -1.7060 | |
| 71 | L | A | 0.0000 | |
| 72 | Y | A | -0.3981 | |
| 73 | I | A | 0.0000 | |
| 74 | E | A | -1.7133 | |
| 75 | N | A | -2.4853 | |
| 76 | Q | A | 0.0000 | |
| 77 | Q | A | -2.7208 | |
| 78 | H | A | -2.3715 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -2.3216 | |
| 81 | H | A | -1.7206 | |
| 82 | L | A | 0.0000 | |
| 83 | E | A | -1.5079 | |
| 84 | L | A | -1.4094 | |
| 85 | R | A | -2.5960 | |
| 86 | D | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | R | A | -2.9057 | |
| 89 | G | A | -2.4503 | |
| 90 | L | A | 0.0000 | |
| 91 | G | A | -2.0978 | |
| 92 | E | A | -2.4312 | |
| 93 | L | A | 0.0000 | |
| 94 | R | A | -2.7865 | |
| 95 | N | A | -2.0796 | |
| 96 | L | A | 0.0000 | |
| 97 | T | A | -0.5151 | |
| 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 | -2.3057 | |
| 105 | F | A | -0.8760 | |
| 106 | V | A | 0.0000 | |
| 107 | A | A | -0.7546 | |
| 108 | P | A | -1.2670 | |
| 109 | D | A | -2.3892 | |
| 110 | A | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | H | A | -1.9188 | |
| 113 | F | A | -1.3327 | |
| 114 | T | A | 0.0000 | |
| 115 | P | A | -1.5638 | |
| 116 | R | A | -2.5894 | |
| 117 | L | A | 0.0000 | |
| 118 | S | A | -2.2730 | |
| 119 | R | A | -2.7181 | |
| 120 | L | A | 0.0000 | |
| 121 | N | A | -0.4390 | |
| 122 | L | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | F | A | 0.8962 | |
| 125 | N | A | 0.0000 | |
| 126 | A | A | -1.1933 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.6591 | |
| 129 | S | A | -1.4025 | |
| 130 | L | A | 0.0000 | |
| 131 | S | A | -0.8518 | |
| 132 | W | A | 0.0000 | |
| 133 | K | A | -1.6536 | |
| 134 | T | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -1.9083 | |
| 137 | G | A | -1.2385 | |
| 138 | L | A | -1.3804 | |
| 139 | S | A | -1.3118 | |
| 140 | L | A | 0.0000 | |
| 141 | Q | A | -1.8336 | |
| 142 | E | A | -1.6401 | |
| 143 | L | A | 0.0000 | |
| 144 | V | A | -0.3613 | |
| 145 | L | A | 0.0000 | |
| 146 | S | A | -0.5092 | |
| 147 | G | A | -0.0979 | |
| 148 | N | A | 0.0000 | |
| 149 | P | A | -1.5839 | |
| 150 | L | A | 0.0000 | |
| 151 | H | A | -2.3363 | |
| 152 | C | A | -1.5442 | |
| 153 | S | A | -0.7220 | |
| 154 | C | A | -0.8441 | |
| 155 | A | A | -0.8808 | |
| 156 | L | A | 0.0000 | |
| 157 | R | A | -0.7936 | |
| 158 | W | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | Q | A | 0.0000 | |
| 161 | R | A | -2.1756 | |
| 162 | W | A | -1.7159 | |
| 163 | E | A | -2.6764 | |
| 164 | E | A | -3.2277 | |
| 165 | E | A | -3.0998 | |
| 166 | G | A | -2.1686 | |
| 167 | L | A | -1.3163 | |
| 168 | G | A | -1.2583 | |
| 169 | G | A | -1.2733 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -2.2730 | |
| 172 | E | A | -2.5365 | |
| 173 | Q | A | -2.1656 | |
| 174 | K | A | -2.7185 | |
| 175 | L | A | 0.0000 | |
| 176 | Q | A | -2.6030 | |
| 177 | C | A | 0.0000 | |
| 178 | H | A | -2.5108 | |
| 179 | G | A | -1.9013 | |
| 180 | Q | A | -2.3105 | |
| 181 | G | A | -1.6714 | |
| 182 | P | A | -1.8276 | |
| 183 | L | A | 0.0000 | |
| 184 | A | A | -1.6498 | |
| 185 | H | A | -1.5929 | |
| 186 | M | A | 0.0000 | |
| 187 | P | A | -1.1138 | |
| 188 | N | A | -1.5710 | |
| 189 | A | A | -0.7350 | |
| 190 | S | A | -0.7593 | |
| 191 | C | A | -0.9812 | |
| 192 | G | A | -0.8866 | |
| 193 | V | A | -0.6465 | |
| 194 | P | A | 0.0000 | |
| 195 | T | A | -1.4554 | |
| 196 | L | A | -1.3277 | |
| 197 | K | A | -2.1823 | |
| 198 | V | A | -1.3585 | |
| 199 | Q | A | -1.8543 | |
| 200 | V | A | -0.7278 | |
| 201 | P | A | -0.9057 | |
| 202 | N | A | -1.3339 | |
| 203 | A | A | -0.8775 | |
| 204 | S | A | -1.1169 | |
| 205 | V | A | 0.0000 | |
| 206 | D | A | -1.3455 | |
| 207 | V | A | -0.6651 | |
| 208 | G | A | -1.5985 | |
| 209 | D | A | -2.6079 | |
| 210 | D | A | -2.5196 | |
| 211 | V | A | 0.0000 | |
| 212 | L | A | -0.0144 | |
| 213 | L | A | 0.0000 | |
| 214 | R | A | -2.1558 | |
| 215 | C | A | 0.0000 | |
| 216 | Q | A | -2.2237 | |
| 217 | V | A | 0.0000 | |
| 218 | E | A | -2.6045 | |
| 219 | G | A | -2.1664 | |
| 220 | R | A | -2.9106 | |
| 221 | G | A | -2.3818 | |
| 222 | L | A | -2.1862 | |
| 223 | E | A | -2.8705 | |
| 224 | Q | A | -1.7827 | |
| 225 | A | A | -0.8695 | |
| 226 | G | A | -0.3502 | |
| 227 | W | A | 0.0000 | |
| 228 | I | A | 0.2118 | |
| 229 | L | A | -0.6557 | |
| 230 | T | A | -1.2195 | |
| 231 | E | A | -3.0220 | |
| 232 | L | A | 0.0000 | |
| 233 | E | A | -2.8026 | |
| 234 | Q | A | -2.8769 | |
| 235 | S | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | T | A | -1.0729 | |
| 238 | V | A | -0.8091 | |
| 239 | M | A | -0.2401 | |
| 240 | K | A | -1.4315 | |
| 241 | S | A | -1.2652 | |
| 242 | G | A | -1.1475 | |
| 243 | G | A | -0.5874 | |
| 244 | L | A | -0.0931 | |
| 245 | P | A | -0.6424 | |
| 246 | S | A | -1.1425 | |
| 247 | L | A | -1.0931 | |
| 248 | G | A | 0.0000 | |
| 249 | L | A | 0.0000 | |
| 250 | T | A | -0.4852 | |
| 251 | L | A | 0.0000 | |
| 252 | A | A | -1.3153 | |
| 253 | N | A | -2.2698 | |
| 254 | V | A | 0.0000 | |
| 255 | T | A | -1.1738 | |
| 256 | S | A | -1.1293 | |
| 257 | D | A | -2.5467 | |
| 258 | L | A | 0.0000 | |
| 259 | N | A | 0.0000 | |
| 260 | R | A | -2.9885 | |
| 261 | K | A | -3.0577 | |
| 262 | N | A | -2.3209 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | -0.5360 | |
| 265 | C | A | 0.0000 | |
| 266 | W | A | -0.7619 | |
| 267 | A | A | 0.0000 | |
| 268 | E | A | 0.0000 | |
| 269 | N | A | 0.0000 | |
| 270 | D | A | -2.4768 | |
| 271 | V | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | R | A | -1.6590 | |
| 274 | A | A | -0.9429 | |
| 275 | E | A | -1.6935 | |
| 276 | V | A | -0.7097 | |
| 277 | S | A | -0.9144 | |
| 278 | V | A | -1.1158 | |
| 279 | Q | A | -2.2523 | |
| 280 | V | A | 0.0000 | |
| 281 | N | A | -1.6737 | |
| 282 | V | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | F | A | 0.0000 | |
| 285 | P | A | -0.2635 | |
| 286 | A | A | 0.0000 | |
| 287 | S | A | -0.8238 | |
| 288 | V | A | 0.0000 | |
| 289 | Q | A | -1.3331 | |
| 290 | L | A | -0.6225 | |
| 291 | H | A | -0.5263 | |
| 292 | T | A | 0.0796 | |
| 293 | A | A | -0.1292 | |
| 294 | V | A | -0.7617 | |
| 295 | E | A | -1.9959 | |
| 296 | M | A | -1.0572 | |
| 297 | H | A | -1.5777 | |
| 298 | H | A | -1.1819 | |
| 299 | W | A | -1.1023 | |
| 300 | C | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | P | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | S | A | -0.6173 | |
| 305 | V | A | 0.0000 | |
| 306 | D | A | -0.7622 | |
| 307 | G | A | 0.0000 | |
| 308 | Q | A | -0.3764 | |
| 309 | P | A | -0.3223 | |
| 310 | A | A | -0.2252 | |
| 311 | P | A | 0.0000 | |
| 312 | S | A | -0.5818 | |
| 313 | L | A | -0.6847 | |
| 314 | R | A | -1.6250 | |
| 315 | W | A | 0.0000 | |
| 316 | L | A | -0.2749 | |
| 317 | F | A | -0.3409 | |
| 318 | N | A | -1.3101 | |
| 319 | G | A | -0.8359 | |
| 320 | S | A | -0.2184 | |
| 321 | V | A | 0.2894 | |
| 322 | L | A | -0.5311 | |
| 323 | N | A | -1.5772 | |
| 324 | E | A | -1.4552 | |
| 325 | T | A | -0.1777 | |
| 326 | S | A | 0.5741 | |
| 327 | F | A | 1.4759 | |
| 328 | I | A | 0.3776 | |
| 329 | F | A | 0.2369 | |
| 330 | T | A | -0.4326 | |
| 331 | E | A | -0.6499 | |
| 332 | F | A | -0.3012 | |
| 333 | L | A | -0.8647 | |
| 334 | E | A | -1.8422 | |
| 335 | P | A | -1.5938 | |
| 336 | A | A | -1.2799 | |
| 337 | A | A | -1.3897 | |
| 338 | N | A | -2.6286 | |
| 339 | E | A | -2.7764 | |
| 340 | T | A | -1.6786 | |
| 341 | V | A | -0.6951 | |
| 342 | R | A | -0.8644 | |
| 343 | H | A | -0.7607 | |
| 344 | G | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | R | A | -0.4701 | |
| 348 | L | A | 0.0000 | |
| 349 | N | A | -0.4892 | |
| 350 | Q | A | -1.2701 | |
| 351 | P | A | -0.0354 | |
| 352 | T | A | -0.0612 | |
| 353 | H | A | 0.2586 | |
| 354 | V | A | 1.0006 | |
| 355 | N | A | 0.3525 | |
| 356 | N | A | -0.0175 | |
| 357 | G | A | 0.0000 | |
| 358 | N | A | -0.5876 | |
| 359 | Y | A | 0.0000 | |
| 360 | T | A | -0.2692 | |
| 361 | L | A | 0.0000 | |
| 362 | L | A | -0.6527 | |
| 363 | A | A | 0.0000 | |
| 364 | A | A | -0.8125 | |
| 365 | N | A | -0.3974 | |
| 366 | P | A | -0.0891 | |
| 367 | F | A | 0.5712 | |
| 368 | G | A | -0.3927 | |
| 369 | Q | A | -1.1650 | |
| 370 | A | A | -0.8817 | |
| 371 | S | A | -0.7834 | |
| 372 | A | A | -0.4279 | |
| 373 | S | A | -0.2891 | |
| 374 | I | A | 0.3687 | |
| 375 | M | A | 0.7221 | |
| 376 | A | A | 0.0000 | |
| 377 | A | A | 0.1585 | |
| 378 | F | A | -0.1647 | |
| 379 | M | A | -0.2896 | |
| 380 | D | A | -1.4037 | |
| 381 | N | A | -0.9823 | |
| 382 | P | A | -0.6366 | |
| 383 | F | A | -0.0306 | |
| 384 | E | A | -1.0896 | |
| 385 | F | A | -0.4441 | |
| 386 | N | A | -1.7364 | |
| 387 | P | A | -1.4746 | |
| 388 | E | A | -2.5773 | |
| 389 | D | A | -2.4565 | |
| 390 | P | A | -0.4653 | |
| 391 | I | A | 1.5333 | |
| 392 | P | A | 1.4510 | |
| 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 | -1.2665 | |
| 401 | N | A | -1.8637 | |
| 402 | S | A | -1.2898 | |
| 403 | T | A | -0.8817 | |
| 404 | S | A | -1.1773 | |
| 405 | G | A | -1.3375 | |
| 406 | D | A | -2.0041 | |
| 407 | P | A | -1.0522 | |
| 408 | V | A | -0.4102 | |
| 409 | E | A | -2.7534 | |
| 410 | K | A | -3.6749 | |
| 411 | K | A | -4.0887 | |
| 412 | D | A | -4.2328 | |
| 413 | E | A | -3.1305 | |
| 414 | T | A | -1.0447 | |
| 415 | P | A | 0.4224 | |
| 416 | F | A | 1.9698 | |
| 417 | G | A | 1.4435 | |
| 418 | V | A | 2.7937 | |
| 419 | S | A | 2.2061 | |
| 420 | V | A | 2.5868 | |
| 421 | A | A | 2.8520 | |
| 422 | V | A | 3.4901 | |
| 423 | G | A | 2.9460 | |
| 424 | L | A | 3.8949 | |
| 425 | A | A | 3.4667 | |
| 426 | V | A | 4.6770 | |
| 427 | F | A | 4.8618 | |
| 428 | A | A | 3.6899 | |
| 429 | C | A | 3.7272 | |
| 430 | L | A | 4.3708 | |
| 431 | F | A | 4.0832 | |
| 432 | L | A | 3.6170 | |
| 433 | S | A | 2.9137 | |
| 434 | T | A | 2.7017 | |
| 435 | L | A | 2.9798 | |
| 436 | L | A | 2.9823 | |
| 437 | L | A | 2.6588 | |
| 438 | V | A | 2.0864 | |
| 439 | L | A | 1.7141 | |
| 440 | N | A | -0.4548 | |
| 441 | K | A | -0.8842 | |
| 442 | C | A | -0.5262 | |
| 443 | G | A | -2.0717 | |
| 444 | R | A | -3.6607 | |
| 445 | R | A | -3.8426 | |
| 446 | N | A | -3.0817 | |
| 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 | 0.5749 | |
| 458 | P | A | -0.9874 | |
| 459 | E | A | -2.4792 | |
| 460 | D | A | -2.5622 | |
| 461 | G | A | -1.2781 | |
| 462 | L | A | 0.5306 | |
| 463 | A | A | 0.5177 | |
| 464 | M | A | 0.2851 | |
| 465 | S | A | 0.0794 | |
| 466 | L | A | 0.0848 | |
| 467 | H | A | 0.2160 | |
| 468 | F | A | 0.4514 | |
| 469 | M | A | 0.1258 | |
| 470 | T | A | -0.1278 | |
| 471 | L | A | 0.5758 | |
| 472 | G | A | -0.4918 | |
| 473 | G | A | -0.3603 | |
| 474 | S | A | -0.1448 | |
| 475 | S | A | 0.1883 | |
| 476 | L | A | 1.1631 | |
| 477 | S | A | 0.1081 | |
| 478 | P | A | -0.5189 | |
| 479 | T | A | -1.2017 | |
| 480 | E | A | -2.5733 | |
| 481 | G | A | -2.3742 | |
| 482 | K | A | -2.6396 | |
| 483 | G | A | -1.6403 | |
| 484 | S | A | -0.9557 | |
| 485 | G | A | -0.3935 | |
| 486 | L | A | 0.6494 | |
| 487 | Q | A | -0.6609 | |
| 488 | G | A | -0.3387 | |
| 489 | H | A | -0.8780 | |
| 490 | I | A | -0.0256 | |
| 491 | I | A | -0.3339 | |
| 492 | E | A | -1.4843 | |
| 493 | N | A | 0.0000 | |
| 494 | P | A | -0.3504 | |
| 495 | Q | A | -0.1150 | |
| 496 | Y | A | 1.4714 | |
| 497 | F | A | 1.6844 | |
| 498 | S | A | 0.1790 | |
| 499 | D | A | -1.1401 | |
| 500 | A | A | -0.3170 | |
| 501 | C | A | -0.0471 | |
| 502 | V | A | -0.4560 | |
| 503 | H | A | -1.0421 | |
| 504 | H | A | -1.7406 | |
| 505 | I | A | 0.0000 | |
| 506 | K | A | -3.1841 | |
| 507 | R | A | -2.9637 | |
| 508 | R | A | -2.6651 | |
| 509 | D | A | 0.0000 | |
| 510 | I | A | 0.0000 | |
| 511 | V | A | 0.5406 | |
| 512 | L | A | 0.7349 | |
| 513 | K | A | 0.0954 | |
| 514 | W | A | 0.0000 | |
| 515 | E | A | -0.3706 | |
| 516 | L | A | -0.1178 | |
| 517 | G | A | -0.9484 | |
| 518 | E | A | -1.9991 | |
| 519 | G | A | -1.1543 | |
| 520 | A | A | -0.4192 | |
| 521 | F | A | -0.4837 | |
| 522 | G | A | 0.0000 | |
| 523 | K | A | -1.3341 | |
| 524 | V | A | 0.0000 | |
| 525 | F | A | 0.0345 | |
| 526 | L | A | 0.0000 | |
| 527 | A | A | 0.0000 | |
| 528 | E | A | 0.0023 | |
| 529 | C | A | 0.0000 | |
| 530 | H | A | -2.3579 | |
| 531 | N | A | -2.8038 | |
| 532 | L | A | -1.7268 | |
| 533 | L | A | -1.5034 | |
| 534 | P | A | -1.9177 | |
| 535 | E | A | -2.8335 | |
| 536 | Q | A | -2.9742 | |
| 537 | D | A | -3.6255 | |
| 538 | K | A | -3.1477 | |
| 539 | M | A | -1.1208 | |
| 540 | L | A | 0.1057 | |
| 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 | -2.8265 | |
| 548 | E | A | -3.1936 | |
| 549 | A | A | -2.5168 | |
| 550 | S | A | -2.0973 | |
| 551 | E | A | -2.8286 | |
| 552 | S | A | -1.9406 | |
| 553 | A | A | -2.1927 | |
| 554 | R | A | -2.7436 | |
| 555 | Q | A | -2.5952 | |
| 556 | D | A | -1.7049 | |
| 557 | F | A | 0.0000 | |
| 558 | Q | A | -1.5136 | |
| 559 | R | A | -1.6244 | |
| 560 | E | A | 0.0000 | |
| 561 | A | A | 0.0000 | |
| 562 | E | A | -0.7770 | |
| 563 | L | A | -0.0859 | |
| 564 | L | A | 0.0000 | |
| 565 | T | A | -0.4297 | |
| 566 | M | A | 0.0531 | |
| 567 | L | A | 0.0000 | |
| 568 | Q | A | -1.9932 | |
| 569 | Q | A | -2.1182 | |
| 570 | Q | A | -1.9672 | |
| 571 | H | A | 0.0000 | |
| 572 | I | A | 0.0000 | |
| 573 | V | A | 0.0000 | |
| 574 | R | A | -1.8966 | |
| 575 | F | A | 0.0000 | |
| 576 | F | A | 0.0000 | |
| 577 | G | A | 0.0000 | |
| 578 | V | A | 0.0000 | |
| 579 | C | A | 0.0000 | |
| 580 | T | A | -1.6768 | |
| 581 | E | A | -2.5110 | |
| 582 | G | A | -2.1474 | |
| 583 | R | A | -2.9040 | |
| 584 | P | A | -2.2596 | |
| 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 | Q | A | -0.6768 | |
| 591 | Y | A | -0.5537 | |
| 592 | M | A | 0.0000 | |
| 593 | R | A | -1.8863 | |
| 594 | H | A | -1.4780 | |
| 595 | G | A | -0.9024 | |
| 596 | D | A | -0.9354 | |
| 597 | L | A | 0.0000 | |
| 598 | N | A | 0.0000 | |
| 599 | R | A | -2.1997 | |
| 600 | F | A | 0.0000 | |
| 601 | L | A | 0.0000 | |
| 602 | R | A | -2.2104 | |
| 603 | S | A | -1.0725 | |
| 604 | H | A | 0.0000 | |
| 605 | G | A | 0.0000 | |
| 606 | P | A | -1.4414 | |
| 607 | D | A | -2.2946 | |
| 608 | A | A | -1.2360 | |
| 609 | K | A | -1.2134 | |
| 610 | L | A | 1.0328 | |
| 611 | L | A | 1.3313 | |
| 612 | A | A | 0.4584 | |
| 613 | G | A | -0.6588 | |
| 614 | G | A | -1.8236 | |
| 615 | E | A | -2.6096 | |
| 616 | D | A | -2.1346 | |
| 617 | V | A | 0.0000 | |
| 618 | A | A | -0.6682 | |
| 619 | P | A | -0.1516 | |
| 620 | G | A | 0.1929 | |
| 621 | P | A | -0.5974 | |
| 622 | L | A | 0.0000 | |
| 623 | G | A | -0.4646 | |
| 624 | L | A | 0.1360 | |
| 625 | G | A | -0.5908 | |
| 626 | Q | A | -0.6351 | |
| 627 | L | A | 0.0000 | |
| 628 | L | A | 0.0000 | |
| 629 | A | A | -0.4690 | |
| 630 | V | A | 0.0000 | |
| 631 | A | A | 0.0000 | |
| 632 | S | A | -0.6156 | |
| 633 | Q | A | -0.3584 | |
| 634 | V | A | 0.0000 | |
| 635 | A | A | 0.0000 | |
| 636 | A | A | -0.6351 | |
| 637 | G | A | 0.0000 | |
| 638 | M | A | 0.0000 | |
| 639 | V | A | -0.5203 | |
| 640 | Y | A | -0.4894 | |
| 641 | L | A | 0.0000 | |
| 642 | A | A | -0.6298 | |
| 643 | G | A | -0.6285 | |
| 644 | L | A | -0.1139 | |
| 645 | H | A | -1.1286 | |
| 646 | F | A | 0.0000 | |
| 647 | V | A | 0.0000 | |
| 648 | H | A | -0.4638 | |
| 649 | R | A | 0.0000 | |
| 650 | D | A | -0.4931 | |
| 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 | -2.0176 | |
| 661 | G | A | -1.3918 | |
| 662 | L | A | -0.5471 | |
| 663 | V | A | -0.1454 | |
| 664 | V | A | 0.0000 | |
| 665 | K | A | -0.5614 | |
| 666 | I | A | 0.0000 | |
| 667 | G | A | 0.0000 | |
| 668 | D | A | -1.8546 | |
| 669 | F | A | 0.0000 | |
| 670 | G | A | -1.0512 | |
| 671 | M | A | -0.8490 | |
| 672 | S | A | -0.3699 | |
| 673 | R | A | 0.0000 | |
| 674 | D | A | -1.2478 | |
| 675 | I | A | 0.8770 | |
| 676 | Y | A | 0.0000 | |
| 677 | S | A | -0.1453 | |
| 678 | T | A | -0.0497 | |
| 679 | D | A | 0.0000 | |
| 680 | Y | A | 0.0000 | |
| 681 | Y | A | -0.5344 | |
| 682 | R | A | -2.0069 | |
| 683 | V | A | -0.9883 | |
| 684 | G | A | -1.3644 | |
| 685 | G | A | -1.8659 | |
| 686 | R | A | -2.3430 | |
| 687 | T | A | -1.2430 | |
| 688 | M | A | -0.6161 | |
| 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 | 0.7684 | |
| 700 | L | A | 1.1603 | |
| 701 | Y | A | 1.2751 | |
| 702 | R | A | 0.2087 | |
| 703 | K | A | -0.2434 | |
| 704 | F | A | 0.0000 | |
| 705 | T | A | -0.5422 | |
| 706 | T | A | -0.6047 | |
| 707 | E | A | -1.3838 | |
| 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 | -0.7843 | |
| 723 | Y | A | -1.0515 | |
| 724 | G | A | 0.0000 | |
| 725 | K | A | -0.9565 | |
| 726 | Q | A | -0.1423 | |
| 727 | P | A | 0.0000 | |
| 728 | W | A | -0.2352 | |
| 729 | Y | A | 0.6240 | |
| 730 | Q | A | -0.6770 | |
| 731 | L | A | -0.4647 | |
| 732 | S | A | -0.8199 | |
| 733 | N | A | -0.9944 | |
| 734 | T | A | -1.1841 | |
| 735 | E | A | -2.2403 | |
| 736 | A | A | 0.0000 | |
| 737 | I | A | -1.2200 | |
| 738 | D | A | -2.7136 | |
| 739 | C | A | -2.2817 | |
| 740 | I | A | 0.0000 | |
| 741 | T | A | -1.7342 | |
| 742 | Q | A | -2.5425 | |
| 743 | G | A | -2.6602 | |
| 744 | R | A | -3.2410 | |
| 745 | E | A | -2.8108 | |
| 746 | L | A | 0.0000 | |
| 747 | E | A | -2.8986 | |
| 748 | R | A | -2.6170 | |
| 749 | P | A | 0.0000 | |
| 750 | R | A | -2.1549 | |
| 751 | A | A | -0.8166 | |
| 752 | C | A | 0.0000 | |
| 753 | P | A | 0.0000 | |
| 754 | P | A | -0.6268 | |
| 755 | E | A | -0.8843 | |
| 756 | V | A | 0.0000 | |
| 757 | Y | A | -1.0631 | |
| 758 | A | A | -0.8922 | |
| 759 | I | A | 0.0000 | |
| 760 | M | A | 0.0000 | |
| 761 | R | A | -2.1994 | |
| 762 | G | A | 0.0000 | |
| 763 | C | A | 0.0000 | |
| 764 | W | A | 0.0000 | |
| 765 | Q | A | -2.5957 | |
| 766 | R | A | -2.9550 | |
| 767 | E | A | -2.4639 | |
| 768 | P | A | -2.1558 | |
| 769 | Q | A | -2.5647 | |
| 770 | Q | A | -2.6686 | |
| 771 | R | A | 0.0000 | |
| 772 | H | A | -2.4305 | |
| 773 | S | A | -2.1029 | |
| 774 | I | A | 0.0000 | |
| 775 | K | A | -2.8752 | |
| 776 | D | A | -3.2703 | |
| 777 | V | A | 0.0000 | |
| 778 | H | A | -2.0683 | |
| 779 | A | A | -2.0331 | |
| 780 | R | A | -2.3951 | |
| 781 | L | A | 0.0000 | |
| 782 | Q | A | -1.8488 | |
| 783 | A | A | -1.1731 | |
| 784 | L | A | -0.9562 | |
| 785 | A | A | -1.1146 | |
| 786 | Q | A | -1.5312 | |
| 787 | A | A | -0.4671 | |
| 788 | P | A | -0.1130 | |
| 789 | P | A | 0.8504 | |
| 790 | V | A | 2.3368 | |
| 791 | Y | A | 2.0992 | |
| 792 | L | A | 2.3257 | |
| 793 | D | A | 0.9971 | |
| 794 | V | A | 2.5824 | |
| 795 | L | A | 1.9374 | |
| 796 | G | A | 0.5045 |
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 | -0.2645 | 8.3647 | View | CSV | PDB |
| 4.5 | -0.3259 | 8.3647 | View | CSV | PDB |
| 5.0 | -0.4019 | 8.3647 | View | CSV | PDB |
| 5.5 | -0.4789 | 8.3647 | View | CSV | PDB |
| 6.0 | -0.5436 | 8.3647 | View | CSV | PDB |
| 6.5 | -0.5882 | 8.3647 | View | CSV | PDB |
| 7.0 | -0.614 | 8.3647 | View | CSV | PDB |
| 7.5 | -0.6283 | 8.3647 | View | CSV | PDB |
| 8.0 | -0.6363 | 8.3647 | View | CSV | PDB |
| 8.5 | -0.6384 | 8.3647 | View | CSV | PDB |
| 9.0 | -0.6327 | 8.3647 | 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