| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: SYELTQPPSVSVSPGQTANITCSGDNLGDKYACWYQQKPGQSPVLIIYQDTKRPSGIPERFSGSNSGNTATLTISGTQAIDEADYYCQAWHSSTALYVFGTGTKVTVL B: QLQLQESGPGLVKPSETLSLTCSVSGGSISNSTYYWGWIRQPPGKGLEWIGTMFYSGRTSYNPSLRSRLTISVATSKNQFSLKLSSVTAADTAVYYCAWGVKRVTRLRGVIAVVEGDAFDIWGQGTMVTVSSA 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 (00:08:12)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e7b7a26f88e8bee/tmp/folded.pdb (00:08:12)
[INFO] Main: Simulation completed successfully. (00:18:20)
|
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 | -2.5780 | |
| 2 | K | A | -2.9017 | |
| 3 | P | A | -1.9748 | |
| 4 | A | A | -1.9920 | |
| 5 | K | A | -2.5273 | |
| 6 | P | A | -1.9710 | |
| 7 | K | A | -2.1350 | |
| 8 | C | A | -0.7509 | |
| 9 | P | A | -0.3335 | |
| 10 | A | A | 0.0849 | |
| 11 | V | A | 0.1910 | |
| 12 | C | A | 0.0883 | |
| 13 | T | A | 0.1610 | |
| 14 | C | A | -0.5879 | |
| 15 | T | A | -1.2416 | |
| 16 | K | A | -2.5552 | |
| 17 | D | A | -2.2936 | |
| 18 | N | A | -1.2685 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.3621 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -1.7609 | |
| 23 | N | A | -2.1109 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.4806 | |
| 26 | S | A | -1.5443 | |
| 27 | I | A | -0.8894 | |
| 28 | P | A | -0.9485 | |
| 29 | R | A | -1.5287 | |
| 30 | T | A | -1.2320 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | 0.0000 | |
| 33 | P | A | -0.9575 | |
| 34 | D | A | -2.2212 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.5484 | |
| 37 | S | A | 0.0000 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | 0.0000 | |
| 40 | F | A | 0.0000 | |
| 41 | V | A | -1.2734 | |
| 42 | R | A | -2.6381 | |
| 43 | S | A | -2.0628 | |
| 44 | G | A | -2.1835 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.7464 | |
| 47 | E | A | -1.9157 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5928 | |
| 50 | E | A | -2.1023 | |
| 51 | G | A | -0.4167 | |
| 52 | S | A | -0.4855 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.2818 | |
| 55 | F | A | 0.4281 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | -0.0605 | |
| 58 | S | A | -0.6754 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.4183 | |
| 61 | L | A | 0.1275 | |
| 62 | L | A | 0.0000 | |
| 63 | L | A | 0.3768 | |
| 64 | F | A | 0.0000 | |
| 65 | T | A | -0.9697 | |
| 66 | S | A | -1.5352 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.8712 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -2.0609 | |
| 71 | V | A | -1.2088 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.6545 | |
| 74 | D | A | -2.2418 | |
| 75 | D | A | -2.0322 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.2547 | |
| 79 | G | A | -0.1534 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1982 | |
| 82 | H | A | -1.4764 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -0.7460 | |
| 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 | -2.0455 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.7226 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.7146 | |
| 95 | S | A | -1.6622 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.1644 | |
| 98 | R | A | -2.5093 | |
| 99 | H | A | -2.5710 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -3.0229 | |
| 103 | G | A | -1.8297 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.8933 | |
| 106 | S | A | -1.6659 | |
| 107 | L | A | 0.0000 | |
| 108 | I | A | 0.0000 | |
| 109 | H | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | S | A | 0.0000 | |
| 112 | L | A | 0.0000 | |
| 113 | A | A | 0.0000 | |
| 114 | N | A | -2.4032 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.8587 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.2220 | |
| 119 | T | A | -1.5607 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.3440 | |
| 122 | K | A | -1.8425 | |
| 123 | D | A | -1.7528 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -3.0094 | |
| 127 | G | A | -2.7806 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8198 | |
| 130 | S | A | 0.0000 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -1.2602 | |
| 138 | G | A | -1.5833 | |
| 139 | N | A | -1.9699 | |
| 140 | S | A | -1.7397 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.6790 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.6537 | |
| 145 | C | A | -1.3665 | |
| 146 | K | A | -2.0978 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.7285 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -1.6870 | |
| 153 | W | A | -1.2411 | |
| 154 | L | A | -0.8371 | |
| 155 | G | A | -1.4286 | |
| 156 | H | A | -1.7408 | |
| 157 | T | A | -1.3818 | |
| 158 | N | A | -1.4837 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.4653 | |
| 161 | V | A | 0.0000 | |
| 162 | E | A | -0.8792 | |
| 163 | D | A | -1.0325 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -1.0930 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -2.6840 | |
| 168 | G | A | -2.3183 | |
| 169 | P | A | -1.8530 | |
| 170 | P | A | -2.1853 | |
| 171 | E | A | -2.8433 | |
| 172 | Y | A | -2.6557 | |
| 173 | K | A | -3.7386 | |
| 174 | K | A | -3.3315 | |
| 175 | R | A | -2.6755 | |
| 176 | K | A | -1.5818 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -0.9855 | |
| 179 | S | A | -0.7275 | |
| 180 | L | A | -0.9976 | |
| 181 | S | A | -1.3723 | |
| 182 | S | A | -1.8551 | |
| 183 | K | A | -2.7575 | |
| 184 | D | A | -2.3833 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -1.9784 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.7783 | |
| 189 | I | A | 1.6889 | |
| 190 | T | A | 1.2672 | |
| 191 | E | A | -0.2931 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.2085 | |
| 194 | K | A | -2.3476 | |
| 195 | S | A | -1.4468 | |
| 196 | Q | A | -1.3979 | |
| 197 | D | A | -1.6061 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.7555 | |
| 200 | Y | A | -0.4540 | |
| 201 | Q | A | -0.6635 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2209 | |
| 204 | S | A | -0.1177 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4077 | |
| 207 | T | A | -0.4063 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.7698 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.2932 | |
| 212 | N | A | -1.4115 | |
| 213 | D | A | -2.1574 | |
| 214 | E | A | -1.7463 | |
| 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 | 0.9131 | |
| 222 | F | A | 1.8526 | |
| 223 | T | A | 0.6733 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.2741 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.9022 | |
| 231 | W | A | 0.0000 | |
| 232 | D | A | -2.0384 | |
| 233 | H | A | -1.7357 | |
| 234 | V | A | -0.2840 | |
| 235 | E | A | -2.3122 | |
| 236 | K | A | -2.6257 | |
| 237 | T | A | -1.8735 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.1962 | |
| 240 | N | A | -1.9802 | |
| 241 | Y | A | -1.1019 | |
| 242 | D | A | -1.4354 | |
| 243 | N | A | -1.1413 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.4326 | |
| 246 | G | A | 0.0146 | |
| 247 | T | A | 0.5506 | |
| 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 | -0.4245 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.1329 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -1.9907 | |
| 259 | T | A | -1.0168 | |
| 260 | Q | A | -1.2367 | |
| 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 | 1.0361 | |
| 269 | F | A | 1.8952 | |
| 270 | G | A | 0.7206 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.0893 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.5773 | |
| 276 | K | A | -0.7117 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6656 | |
| 279 | S | A | -0.3247 | |
| 280 | F | A | 1.1265 | |
| 281 | A | A | -0.1149 | |
| 282 | N | A | -1.4111 | |
| 283 | K | A | -1.8892 | |
| 284 | F | A | -0.9619 | |
| 285 | I | A | -0.2865 | |
| 286 | K | A | -1.0074 | |
| 287 | I | A | -0.3208 | |
| 288 | Q | A | -1.2294 | |
| 289 | D | A | -2.0996 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -1.0243 | |
| 292 | I | A | 1.0239 | |
| 293 | L | A | 1.3122 | |
| 294 | K | A | -0.0534 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.3887 | |
| 297 | K | A | -0.7739 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8487 | |
| 300 | D | A | -0.6130 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3383 | |
| 303 | T | A | -0.3659 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -2.1531 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.0815 | |
| 308 | N | A | -2.7341 | |
| 309 | N | A | -2.4172 | |
| 310 | W | A | -1.4453 | |
| 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 | -1.2504 | |
| 318 | S | A | -1.4334 | |
| 319 | K | A | -1.5662 | |
| 320 | A | A | -0.5825 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.0295 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -0.8723 | |
| 328 | W | A | -1.1550 | |
| 329 | N | A | -1.8464 | |
| 330 | G | A | -1.7549 | |
| 331 | N | A | -1.6864 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | 0.1706 | |
| 335 | S | A | -0.2270 | |
| 336 | H | A | -0.2519 | |
| 337 | Q | A | -0.2172 | |
| 338 | S | A | -0.2187 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | -0.0638 | |
| 341 | A | A | 0.3589 | |
| 342 | W | A | 0.6000 | |
| 343 | Y | A | -0.0573 | |
| 344 | R | A | -1.6070 | |
| 345 | D | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | D | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | 0.0000 | |
| 350 | Y | A | -0.2985 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.9221 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.3183 | |
| 355 | R | A | -0.7970 | |
| 356 | T | A | -0.6505 | |
| 357 | P | A | -0.7069 | |
| 358 | Q | A | -1.0298 | |
| 359 | T | A | -0.1452 | |
| 360 | L | A | 0.5177 | |
| 361 | R | A | -0.8603 | |
| 362 | T | A | -0.8645 | |
| 363 | P | A | -0.7929 | |
| 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 | -1.6173 | |
| 371 | S | A | -2.0590 | |
| 372 | Q | A | -2.5704 | |
| 373 | R | A | -3.2218 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1635 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.4235 | |
| 381 | K | A | -2.1842 | |
| 382 | A | A | -0.9895 | |
| 383 | T | A | -0.7536 | |
| 384 | Q | A | -1.0892 | |
| 385 | L | A | -0.4328 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.0718 | |
| 388 | N | A | -1.9237 | |
| 389 | Q | A | -2.0334 | |
| 390 | T | A | -1.4717 | |
| 391 | D | A | -1.5997 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -1.8159 | |
| 394 | N | A | -2.5106 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.8146 | |
| 397 | D | A | -3.0679 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4908 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4944 | |
| 403 | H | A | -0.6354 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.0069 | |
| 406 | V | A | -1.2489 | |
| 407 | K | A | -2.0454 | |
| 408 | G | A | -1.5659 | |
| 409 | D | A | -1.4665 | |
| 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 | -0.5386 | |
| 417 | F | A | 0.5702 | |
| 418 | I | A | 0.6282 | |
| 419 | G | A | -0.7779 | |
| 420 | D | A | -1.7668 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.3752 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.1121 | |
| 428 | G | A | -0.8718 | |
| 429 | S | A | -0.6776 | |
| 430 | S | A | -1.0142 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -1.9780 | |
| 433 | D | A | -1.9604 | |
| 434 | I | A | -1.0096 | |
| 435 | Q | A | -1.5667 | |
| 436 | R | A | -2.4906 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.2594 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.6656 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.2666 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3557 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.6910 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.3030 | |
| 452 | N | A | -1.9716 | |
| 453 | Y | A | -1.1147 | |
| 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 | -0.1499 | |
| 462 | Y | A | 0.7619 | |
| 463 | S | A | 0.1423 | |
| 464 | F | A | 0.2224 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9744 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5409 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.6177 | |
| 472 | A | A | -1.7892 | |
| 473 | E | A | -2.8072 | |
| 474 | K | A | -2.7800 | |
| 475 | A | A | -1.5968 | |
| 476 | K | A | -1.5777 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5648 | |
| 479 | K | A | -1.5234 | |
| 480 | F | A | -0.7455 | |
| 481 | Q | A | -1.2117 | |
| 482 | E | A | -1.9041 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.6739 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.6801 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.3921 | |
| 490 | S | A | -0.1099 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2397 | |
| 493 | H | A | -0.5688 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.4392 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.7469 | |
| 498 | K | A | -2.9073 | |
| 499 | R | A | -2.1681 | |
| 500 | N | A | -1.4638 | |
| 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 | -0.5591 | |
| 508 | K | A | -2.0591 | |
| 509 | G | A | -1.6859 | |
| 510 | N | A | -1.6013 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -0.9764 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 0.9791 | |
| 518 | I | A | 2.6336 | |
| 519 | V | A | 1.9378 | |
| 520 | D | A | 0.8514 | |
| 521 | L | A | 0.4630 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.1620 | |
| 1 | Q | B | -2.0663 | |
| 2 | L | B | 0.0000 | |
| 3 | Q | B | -1.9418 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -1.3734 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6145 | |
| 8 | G | B | -0.4638 | |
| 9 | P | B | 0.0155 | |
| 10 | G | B | 0.4337 | |
| 11 | L | B | 0.9968 | |
| 12 | V | B | 0.0000 | |
| 13 | K | B | -1.7405 | |
| 14 | P | B | -1.3176 | |
| 15 | S | B | -1.4478 | |
| 16 | E | B | -2.1112 | |
| 17 | T | B | -1.3954 | |
| 18 | L | B | 0.0000 | |
| 19 | S | B | -0.8087 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.4631 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -0.9936 | |
| 24 | V | B | 0.0000 | |
| 25 | S | B | -1.3043 | |
| 26 | G | B | -1.4450 | |
| 27 | G | B | -1.3172 | |
| 28 | S | B | -0.9658 | |
| 29 | I | B | 0.0000 | |
| 30 | S | B | -0.1424 | |
| 31 | N | B | -0.5196 | |
| 32 | S | B | -0.0910 | |
| 33 | T | B | 0.0000 | |
| 34 | Y | B | 0.0000 | |
| 35 | Y | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | G | B | 0.0000 | |
| 38 | W | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | R | B | 0.0000 | |
| 41 | Q | B | -0.7111 | |
| 42 | P | B | -0.8422 | |
| 43 | P | B | -0.9485 | |
| 44 | G | B | -1.4585 | |
| 45 | K | B | -2.1767 | |
| 46 | G | B | -1.3459 | |
| 47 | L | B | 0.0000 | |
| 48 | E | B | -0.7070 | |
| 49 | W | B | 0.0000 | |
| 50 | I | B | 0.0000 | |
| 51 | G | B | 0.0000 | |
| 52 | T | B | 0.0000 | |
| 53 | M | B | -0.1495 | |
| 54 | F | B | 0.0000 | |
| 55 | Y | B | 0.6821 | |
| 56 | S | B | -0.4043 | |
| 57 | G | B | -0.8931 | |
| 58 | R | B | -1.8252 | |
| 59 | T | B | -0.8078 | |
| 60 | S | B | 0.0000 | |
| 61 | Y | B | -0.4873 | |
| 62 | N | B | -0.6975 | |
| 63 | P | B | -0.9416 | |
| 64 | S | B | -0.9536 | |
| 65 | L | B | 0.0000 | |
| 66 | R | B | -2.1722 | |
| 67 | S | B | -1.3925 | |
| 68 | R | B | -1.2970 | |
| 69 | L | B | 0.0000 | |
| 70 | T | B | -0.7260 | |
| 71 | I | B | 0.0000 | |
| 72 | S | B | -0.0074 | |
| 73 | V | B | 0.1927 | |
| 74 | A | B | -0.5488 | |
| 75 | T | B | -0.8100 | |
| 76 | S | B | -1.1560 | |
| 77 | K | B | -1.9797 | |
| 78 | N | B | -1.3499 | |
| 79 | Q | B | -0.9906 | |
| 80 | F | B | 0.0000 | |
| 81 | S | B | -0.2446 | |
| 82 | L | B | 0.0000 | |
| 83 | K | B | -0.9372 | |
| 84 | L | B | 0.0000 | |
| 85 | S | B | -1.0353 | |
| 86 | S | B | -1.2208 | |
| 87 | V | B | 0.0000 | |
| 88 | T | B | -0.6216 | |
| 89 | A | B | -0.2158 | |
| 90 | A | B | 0.0487 | |
| 91 | D | B | 0.0000 | |
| 92 | T | B | 0.2399 | |
| 93 | A | B | 0.0000 | |
| 94 | V | B | 0.2946 | |
| 95 | Y | B | 0.0000 | |
| 96 | Y | B | 0.0000 | |
| 97 | C | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | W | B | 0.0000 | |
| 100 | G | B | 0.0000 | |
| 101 | V | B | 0.0000 | |
| 102 | K | B | 0.0000 | |
| 103 | R | B | 0.0000 | |
| 104 | V | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | R | B | -0.5966 | |
| 107 | L | B | -0.4043 | |
| 108 | R | B | -1.4676 | |
| 109 | G | B | -0.5815 | |
| 110 | V | B | 1.0257 | |
| 111 | I | B | 0.6472 | |
| 112 | A | B | 0.4006 | |
| 113 | V | B | 0.4956 | |
| 114 | V | B | 0.0000 | |
| 115 | E | B | -0.8964 | |
| 116 | G | B | 0.0000 | |
| 117 | D | B | 0.0000 | |
| 118 | A | B | 0.0000 | |
| 119 | F | B | 0.0000 | |
| 120 | D | B | 0.0637 | |
| 121 | I | B | 0.1620 | |
| 122 | W | B | 0.0000 | |
| 123 | G | B | 0.0000 | |
| 124 | Q | B | -1.6717 | |
| 125 | G | B | 0.0000 | |
| 126 | T | B | -0.2101 | |
| 127 | M | B | 0.5084 | |
| 128 | V | B | 0.0000 | |
| 129 | T | B | 0.3560 | |
| 130 | V | B | 0.0000 | |
| 131 | S | B | -0.3288 | |
| 132 | S | B | -0.5673 | |
| 133 | A | B | -0.1365 | |
| 1 | S | C | -0.5527 | |
| 2 | Y | C | -0.9343 | |
| 3 | E | C | -2.0061 | |
| 4 | L | C | 0.0000 | |
| 5 | T | C | -0.6355 | |
| 6 | Q | C | 0.0000 | |
| 7 | P | C | -0.3946 | |
| 8 | P | C | -0.6999 | |
| 9 | S | C | -0.7392 | |
| 10 | V | C | -0.6246 | |
| 11 | S | C | -0.1732 | |
| 12 | V | C | 0.0000 | |
| 13 | S | C | -0.2613 | |
| 14 | P | C | -0.5913 | |
| 15 | G | C | -1.4831 | |
| 16 | Q | C | -1.6839 | |
| 17 | T | C | -1.3316 | |
| 18 | A | C | 0.0000 | |
| 19 | N | C | -1.3285 | |
| 20 | I | C | 0.0000 | |
| 21 | T | C | -0.4410 | |
| 22 | C | C | 0.0000 | |
| 23 | S | C | -1.4649 | |
| 24 | G | C | -2.2405 | |
| 25 | D | C | -3.4500 | |
| 26 | N | C | -3.4485 | |
| 27 | L | C | 0.0000 | |
| 28 | G | C | -2.5796 | |
| 29 | D | C | -2.9090 | |
| 30 | K | C | -1.9255 | |
| 31 | Y | C | -0.5838 | |
| 32 | A | C | 0.0000 | |
| 33 | C | C | 0.0000 | |
| 34 | W | C | 0.0000 | |
| 35 | Y | C | 0.0000 | |
| 36 | Q | C | -0.3296 | |
| 37 | Q | C | 0.0000 | |
| 38 | K | C | -1.1854 | |
| 39 | P | C | -1.3001 | |
| 40 | G | C | -1.3763 | |
| 41 | Q | C | -1.6147 | |
| 42 | S | C | -0.7458 | |
| 43 | P | C | 0.0000 | |
| 44 | V | C | 1.2169 | |
| 45 | L | C | 0.0000 | |
| 46 | I | C | 0.0000 | |
| 47 | I | C | 0.0000 | |
| 48 | Y | C | 0.0000 | |
| 49 | Q | C | 0.0000 | |
| 50 | D | C | -0.5866 | |
| 51 | T | C | -0.5272 | |
| 52 | K | C | -0.6863 | |
| 53 | R | C | -1.0155 | |
| 54 | P | C | -0.3983 | |
| 55 | S | C | -0.7932 | |
| 56 | G | C | -0.9553 | |
| 57 | I | C | -0.4827 | |
| 58 | P | C | -1.1534 | |
| 59 | E | C | -2.1525 | |
| 60 | R | C | -1.4520 | |
| 61 | F | C | 0.0000 | |
| 62 | S | C | -0.9927 | |
| 63 | G | C | -0.6184 | |
| 64 | S | C | -0.5790 | |
| 65 | N | C | -1.1650 | |
| 66 | S | C | -1.5648 | |
| 67 | G | C | -2.3197 | |
| 68 | N | C | -3.0246 | |
| 69 | T | C | -1.5116 | |
| 70 | A | C | 0.0000 | |
| 71 | T | C | -0.5960 | |
| 72 | L | C | 0.0000 | |
| 73 | T | C | -0.7697 | |
| 74 | I | C | 0.0000 | |
| 75 | S | C | -1.4203 | |
| 76 | G | C | -1.3453 | |
| 77 | T | C | 0.0000 | |
| 78 | Q | C | -0.6666 | |
| 79 | A | C | 0.4599 | |
| 80 | I | C | 1.3475 | |
| 81 | D | C | 0.0000 | |
| 82 | E | C | -0.8641 | |
| 83 | A | C | 0.0000 | |
| 84 | D | C | -1.6306 | |
| 85 | Y | C | 0.0000 | |
| 86 | Y | C | 0.0000 | |
| 87 | C | C | 0.0000 | |
| 88 | Q | C | 0.0000 | |
| 89 | A | C | 0.0000 | |
| 90 | W | C | 0.0000 | |
| 91 | H | C | -0.6702 | |
| 92 | S | C | -0.6129 | |
| 93 | S | C | -0.4031 | |
| 94 | T | C | -0.1736 | |
| 95 | A | C | 0.0000 | |
| 96 | L | C | 0.3108 | |
| 97 | Y | C | 0.0000 | |
| 98 | V | C | -0.1946 | |
| 99 | F | C | 0.0000 | |
| 100 | G | C | 0.0000 | |
| 101 | T | C | -0.7520 | |
| 102 | G | C | -0.9049 | |
| 103 | T | C | 0.0000 | |
| 104 | K | C | -1.7055 | |
| 105 | V | C | 0.0000 | |
| 106 | T | C | -0.1107 | |
| 107 | V | C | 0.3572 | |
| 108 | L | C | 1.2904 |
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 | -0.6329 | 4.4134 | View | CSV | PDB |
| 4.5 | -0.671 | 4.4135 | View | CSV | PDB |
| 5.0 | -0.7158 | 4.414 | View | CSV | PDB |
| 5.5 | -0.7571 | 4.4153 | View | CSV | PDB |
| 6.0 | -0.7837 | 4.4189 | View | CSV | PDB |
| 6.5 | -0.7886 | 4.4266 | View | CSV | PDB |
| 7.0 | -0.7731 | 4.4391 | View | CSV | PDB |
| 7.5 | -0.7445 | 4.4547 | View | CSV | PDB |
| 8.0 | -0.7085 | 4.4717 | View | CSV | PDB |
| 8.5 | -0.667 | 4.4913 | View | CSV | PDB |
| 9.0 | -0.6197 | 4.5228 | 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