| Chain sequence(s) |
A: KKPAKPKCPAVCTCTKDNALCENARSIPRTVPPDVISLSFVRSGFTEISEGSFLFTPSLQLLLFTSNSFDVISDDAFIGLPHLEYLFIENNNIKSISRHTFRGLKSLIHLSLANNNLQTLPKDIFKGLDSLTNVDLRGNSFNCDCKLKWLVEWLGHTNATVEDIYCEGPPEYKKRKINSLSSKDFDCIITEFAKSQDLPYQSLSIDTFSYLNDEYVVIAQPFTGKCIFLEWDHVEKTFRNYDNITGTSTVVCKPIVIETQLYVIVAQLFGGSHIYKRDSFANKFIKIQDIEILKIRKPNDIETFKIENNWYFVVADSSKAGFTTIYKWNGNGFYSHQSLHAWYRDTDVEYLEIVRTPQTLRTPHLILSSSSQRPVIYQWNKATQLFTNQTDIPNMEDVYAVKHFSVKGDVYICLTRFIGDSKVMKWGGSSFQDIQRMPSRGSMVFQPLQINNYQYAILGSDYSFTQVYNWDAEKAKFVKFQELNVQAPRSFTHVSINKRNFLFASSFKGNTQIYKHVIVDLSA
C: DIQMTQSPSSLSASVGDRVTITCRASQNITRFLSWYQHNPGKGPNLLIYAASSLHSGVPSRFSGGGYGTDFTLTISNLQPEDFATYYCQQSHTTPPWTFGQGTKVDIK B: QVQLVESGGGVVQPGRSLRLSCAASGFTFRSYGIHWVRQAPGKGLEWVAGMWQDGENTHYRDSLKGRFTISRDNSKNTVDLQMNSLRVEDTAVYYCARELWFGKLRGMDVWGQGTTVTVSS 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 (00:19:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/38e8d4c4d99f6d5/tmp/folded.pdb (00:19:26)
[INFO] Main: Simulation completed successfully. (00:27:10)
|
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 | -2.5776 | |
| 2 | K | A | -2.8986 | |
| 3 | P | A | -1.9882 | |
| 4 | A | A | -1.9692 | |
| 5 | K | A | -2.5168 | |
| 6 | P | A | -1.9666 | |
| 7 | K | A | -2.0804 | |
| 8 | C | A | -0.6211 | |
| 9 | P | A | -0.2893 | |
| 10 | A | A | 0.2961 | |
| 11 | V | A | 0.3543 | |
| 12 | C | A | 0.3600 | |
| 13 | T | A | 0.2821 | |
| 14 | C | A | -0.4169 | |
| 15 | T | A | -0.9776 | |
| 16 | K | A | -2.2109 | |
| 17 | D | A | -1.6347 | |
| 18 | N | A | -0.9831 | |
| 19 | A | A | 0.0000 | |
| 20 | L | A | 0.0000 | |
| 21 | C | A | 0.0000 | |
| 22 | E | A | -1.2092 | |
| 23 | N | A | -2.1807 | |
| 24 | A | A | 0.0000 | |
| 25 | R | A | -2.3639 | |
| 26 | S | A | -1.5915 | |
| 27 | I | A | 0.0000 | |
| 28 | P | A | -0.8790 | |
| 29 | R | A | -1.3671 | |
| 30 | T | A | -1.0460 | |
| 31 | V | A | 0.0000 | |
| 32 | P | A | -1.5560 | |
| 33 | P | A | -0.7351 | |
| 34 | D | A | -2.0628 | |
| 35 | V | A | 0.0000 | |
| 36 | I | A | -0.7704 | |
| 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 | -2.1459 | |
| 43 | S | A | -1.8060 | |
| 44 | G | A | -1.8992 | |
| 45 | F | A | 0.0000 | |
| 46 | T | A | -1.6018 | |
| 47 | E | A | -1.8872 | |
| 48 | I | A | 0.0000 | |
| 49 | S | A | -1.5720 | |
| 50 | E | A | -2.0944 | |
| 51 | G | A | 0.0000 | |
| 52 | S | A | -0.4606 | |
| 53 | F | A | 0.0000 | |
| 54 | L | A | 1.4220 | |
| 55 | F | A | 1.2400 | |
| 56 | T | A | 0.0000 | |
| 57 | P | A | 0.0930 | |
| 58 | S | A | -0.6254 | |
| 59 | L | A | 0.0000 | |
| 60 | Q | A | -0.6189 | |
| 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 | -0.7895 | |
| 67 | N | A | 0.0000 | |
| 68 | S | A | -1.4723 | |
| 69 | F | A | 0.0000 | |
| 70 | D | A | -1.9463 | |
| 71 | V | A | -1.1199 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -1.6281 | |
| 74 | D | A | -2.1012 | |
| 75 | D | A | -1.8902 | |
| 76 | A | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | I | A | -0.2610 | |
| 79 | G | A | 0.0324 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | -1.1245 | |
| 82 | H | A | -1.4824 | |
| 83 | L | A | 0.0000 | |
| 84 | E | A | -1.0601 | |
| 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 | -0.9267 | |
| 91 | N | A | 0.0000 | |
| 92 | N | A | -2.1829 | |
| 93 | I | A | 0.0000 | |
| 94 | K | A | -2.5999 | |
| 95 | S | A | -1.6340 | |
| 96 | I | A | 0.0000 | |
| 97 | S | A | -1.3800 | |
| 98 | R | A | -3.2669 | |
| 99 | H | A | -2.7764 | |
| 100 | T | A | 0.0000 | |
| 101 | F | A | 0.0000 | |
| 102 | R | A | -2.5563 | |
| 103 | G | A | -1.5640 | |
| 104 | L | A | 0.0000 | |
| 105 | K | A | -2.9917 | |
| 106 | S | A | -1.7292 | |
| 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 | -1.6289 | |
| 115 | N | A | 0.0000 | |
| 116 | N | A | -2.5482 | |
| 117 | L | A | 0.0000 | |
| 118 | Q | A | -2.0532 | |
| 119 | T | A | -1.5664 | |
| 120 | L | A | 0.0000 | |
| 121 | P | A | -1.8443 | |
| 122 | K | A | -2.6303 | |
| 123 | D | A | -3.0763 | |
| 124 | I | A | 0.0000 | |
| 125 | F | A | 0.0000 | |
| 126 | K | A | -3.5471 | |
| 127 | G | A | -2.7743 | |
| 128 | L | A | 0.0000 | |
| 129 | D | A | -2.8673 | |
| 130 | S | A | -1.6732 | |
| 131 | L | A | 0.0000 | |
| 132 | T | A | -0.5865 | |
| 133 | N | A | -0.3576 | |
| 134 | V | A | 0.0000 | |
| 135 | D | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | R | A | -1.3504 | |
| 138 | G | A | -1.3451 | |
| 139 | N | A | -1.8374 | |
| 140 | S | A | -1.7291 | |
| 141 | F | A | 0.0000 | |
| 142 | N | A | -1.8881 | |
| 143 | C | A | 0.0000 | |
| 144 | D | A | -1.5933 | |
| 145 | C | A | -1.3311 | |
| 146 | K | A | -1.9589 | |
| 147 | L | A | 0.0000 | |
| 148 | K | A | -1.6782 | |
| 149 | W | A | 0.0000 | |
| 150 | L | A | 0.0000 | |
| 151 | V | A | 0.0000 | |
| 152 | E | A | -1.5789 | |
| 153 | W | A | -1.4427 | |
| 154 | L | A | -0.8747 | |
| 155 | G | A | -1.4374 | |
| 156 | H | A | -1.6421 | |
| 157 | T | A | -1.4497 | |
| 158 | N | A | -1.7502 | |
| 159 | A | A | 0.0000 | |
| 160 | T | A | -0.7364 | |
| 161 | V | A | -0.7310 | |
| 162 | E | A | -1.5326 | |
| 163 | D | A | -1.7648 | |
| 164 | I | A | 0.0000 | |
| 165 | Y | A | -2.0893 | |
| 166 | C | A | 0.0000 | |
| 167 | E | A | -3.3423 | |
| 168 | G | A | -2.6559 | |
| 169 | P | A | -1.9463 | |
| 170 | P | A | -2.2430 | |
| 171 | E | A | -2.9618 | |
| 172 | Y | A | -2.9653 | |
| 173 | K | A | -4.1749 | |
| 174 | K | A | -3.9253 | |
| 175 | R | A | -3.5918 | |
| 176 | K | A | -2.4958 | |
| 177 | I | A | 0.0000 | |
| 178 | N | A | -1.4565 | |
| 179 | S | A | -1.0106 | |
| 180 | L | A | -1.2088 | |
| 181 | S | A | -1.4180 | |
| 182 | S | A | -1.8833 | |
| 183 | K | A | -2.8172 | |
| 184 | D | A | -2.5600 | |
| 185 | F | A | 0.0000 | |
| 186 | D | A | -2.0132 | |
| 187 | C | A | 0.0000 | |
| 188 | I | A | 1.7348 | |
| 189 | I | A | 1.9060 | |
| 190 | T | A | 1.4116 | |
| 191 | E | A | -0.0665 | |
| 192 | F | A | 0.0000 | |
| 193 | A | A | -1.1041 | |
| 194 | K | A | -2.3035 | |
| 195 | S | A | -1.4219 | |
| 196 | Q | A | -1.4077 | |
| 197 | D | A | -1.7117 | |
| 198 | L | A | 0.0000 | |
| 199 | P | A | -0.8383 | |
| 200 | Y | A | -0.5513 | |
| 201 | Q | A | -0.7840 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.2073 | |
| 204 | S | A | -0.1264 | |
| 205 | I | A | 0.0000 | |
| 206 | D | A | -0.4124 | |
| 207 | T | A | -0.4209 | |
| 208 | F | A | 0.0000 | |
| 209 | S | A | -0.7843 | |
| 210 | Y | A | 0.0000 | |
| 211 | L | A | 0.3078 | |
| 212 | N | A | -1.3987 | |
| 213 | D | A | -2.0571 | |
| 214 | E | A | -1.6856 | |
| 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 | 0.8602 | |
| 222 | F | A | 1.8069 | |
| 223 | T | A | 0.6024 | |
| 224 | G | A | 0.0000 | |
| 225 | K | A | -0.4610 | |
| 226 | C | A | 0.0000 | |
| 227 | I | A | 0.0000 | |
| 228 | F | A | 0.0000 | |
| 229 | L | A | 0.0000 | |
| 230 | E | A | -1.5600 | |
| 231 | W | A | -1.8916 | |
| 232 | D | A | -2.0055 | |
| 233 | H | A | -1.6618 | |
| 234 | V | A | -0.2592 | |
| 235 | E | A | -2.3763 | |
| 236 | K | A | -2.6880 | |
| 237 | T | A | -1.9645 | |
| 238 | F | A | 0.0000 | |
| 239 | R | A | -2.4774 | |
| 240 | N | A | -1.6353 | |
| 241 | Y | A | -0.8226 | |
| 242 | D | A | -1.2599 | |
| 243 | N | A | -1.0462 | |
| 244 | I | A | 0.0000 | |
| 245 | T | A | -0.4646 | |
| 246 | G | A | -0.0698 | |
| 247 | T | A | 0.5053 | |
| 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 | -0.4192 | |
| 254 | P | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | V | A | -0.0203 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -1.9701 | |
| 259 | T | A | -0.9218 | |
| 260 | Q | A | -1.0019 | |
| 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 | 0.9980 | |
| 269 | F | A | 1.8611 | |
| 270 | G | A | 0.6919 | |
| 271 | G | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | H | A | -1.1822 | |
| 274 | I | A | 0.0000 | |
| 275 | Y | A | -0.7752 | |
| 276 | K | A | -0.7089 | |
| 277 | R | A | 0.0000 | |
| 278 | D | A | -0.6722 | |
| 279 | S | A | -0.1468 | |
| 280 | F | A | 1.1141 | |
| 281 | A | A | -0.1507 | |
| 282 | N | A | -1.4529 | |
| 283 | K | A | -1.9956 | |
| 284 | F | A | -1.1097 | |
| 285 | I | A | -0.6139 | |
| 286 | K | A | -1.5231 | |
| 287 | I | A | -0.5036 | |
| 288 | Q | A | -1.2183 | |
| 289 | D | A | -2.1567 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -0.8919 | |
| 292 | I | A | 1.0405 | |
| 293 | L | A | 1.3730 | |
| 294 | K | A | 0.0753 | |
| 295 | I | A | 0.0000 | |
| 296 | R | A | -0.4931 | |
| 297 | K | A | -0.8328 | |
| 298 | P | A | 0.0000 | |
| 299 | N | A | -0.8676 | |
| 300 | D | A | -0.6397 | |
| 301 | I | A | 0.0000 | |
| 302 | E | A | -0.3362 | |
| 303 | T | A | -0.3062 | |
| 304 | F | A | 0.0000 | |
| 305 | K | A | -2.0300 | |
| 306 | I | A | 0.0000 | |
| 307 | E | A | -3.1578 | |
| 308 | N | A | -2.8710 | |
| 309 | N | A | -2.7906 | |
| 310 | W | A | -1.5511 | |
| 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 | -1.2379 | |
| 318 | S | A | -1.4318 | |
| 319 | K | A | -1.5797 | |
| 320 | A | A | -0.5857 | |
| 321 | G | A | 0.0000 | |
| 322 | F | A | 0.0858 | |
| 323 | T | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | I | A | 0.0000 | |
| 326 | Y | A | 0.0000 | |
| 327 | K | A | -1.0069 | |
| 328 | W | A | -1.2594 | |
| 329 | N | A | -1.9395 | |
| 330 | G | A | -1.9940 | |
| 331 | N | A | -1.6607 | |
| 332 | G | A | 0.0000 | |
| 333 | F | A | 0.0000 | |
| 334 | Y | A | -0.0048 | |
| 335 | S | A | -0.2275 | |
| 336 | H | A | -0.2937 | |
| 337 | Q | A | -0.2377 | |
| 338 | S | A | -0.1186 | |
| 339 | L | A | 0.0000 | |
| 340 | H | A | 0.0000 | |
| 341 | A | A | 0.4315 | |
| 342 | W | A | 0.6578 | |
| 343 | Y | A | -0.0009 | |
| 344 | R | A | -1.4949 | |
| 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 | -0.2264 | |
| 351 | L | A | 0.0000 | |
| 352 | E | A | -0.9122 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | -0.6399 | |
| 355 | R | A | -0.9483 | |
| 356 | T | A | -0.7225 | |
| 357 | P | A | -0.7612 | |
| 358 | Q | A | -1.1743 | |
| 359 | T | A | -0.2763 | |
| 360 | L | A | 0.3417 | |
| 361 | R | A | -1.1670 | |
| 362 | T | A | -0.9986 | |
| 363 | P | A | 0.0000 | |
| 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 | -1.6360 | |
| 371 | S | A | -2.0889 | |
| 372 | Q | A | -2.7838 | |
| 373 | R | A | -3.7657 | |
| 374 | P | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | I | A | 0.0000 | |
| 377 | Y | A | 0.0000 | |
| 378 | Q | A | -1.1881 | |
| 379 | W | A | 0.0000 | |
| 380 | N | A | -1.5291 | |
| 381 | K | A | -2.2711 | |
| 382 | A | A | -1.0698 | |
| 383 | T | A | -0.8972 | |
| 384 | Q | A | -1.4008 | |
| 385 | L | A | -0.5765 | |
| 386 | F | A | 0.0000 | |
| 387 | T | A | -1.1276 | |
| 388 | N | A | -1.9405 | |
| 389 | Q | A | -2.1547 | |
| 390 | T | A | -1.7888 | |
| 391 | D | A | -2.2630 | |
| 392 | I | A | 0.0000 | |
| 393 | P | A | -2.0039 | |
| 394 | N | A | -2.6269 | |
| 395 | M | A | 0.0000 | |
| 396 | E | A | -3.9348 | |
| 397 | D | A | -3.0725 | |
| 398 | V | A | 0.0000 | |
| 399 | Y | A | -0.4900 | |
| 400 | A | A | 0.0000 | |
| 401 | V | A | 0.0000 | |
| 402 | K | A | -0.4179 | |
| 403 | H | A | -0.5659 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -1.1326 | |
| 406 | V | A | -1.3760 | |
| 407 | K | A | -2.1866 | |
| 408 | G | A | -1.7919 | |
| 409 | D | A | -1.9149 | |
| 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 | -0.3874 | |
| 417 | F | A | 0.8202 | |
| 418 | I | A | 1.1147 | |
| 419 | G | A | -0.6082 | |
| 420 | D | A | -1.7382 | |
| 421 | S | A | 0.0000 | |
| 422 | K | A | -1.5312 | |
| 423 | V | A | 0.0000 | |
| 424 | M | A | 0.0000 | |
| 425 | K | A | -1.3656 | |
| 426 | W | A | 0.0000 | |
| 427 | G | A | -1.1580 | |
| 428 | G | A | -0.9639 | |
| 429 | S | A | -0.7048 | |
| 430 | S | A | -1.0411 | |
| 431 | F | A | 0.0000 | |
| 432 | Q | A | -2.0386 | |
| 433 | D | A | -2.2066 | |
| 434 | I | A | -1.1560 | |
| 435 | Q | A | -1.6715 | |
| 436 | R | A | -2.5417 | |
| 437 | M | A | 0.0000 | |
| 438 | P | A | -1.2729 | |
| 439 | S | A | 0.0000 | |
| 440 | R | A | -0.8511 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | M | A | 0.3165 | |
| 444 | V | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | Q | A | -0.3512 | |
| 447 | P | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | Q | A | -1.5967 | |
| 450 | I | A | 0.0000 | |
| 451 | N | A | -2.2839 | |
| 452 | N | A | -1.9498 | |
| 453 | Y | A | -1.0789 | |
| 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 | -0.2034 | |
| 462 | Y | A | 0.6828 | |
| 463 | S | A | 0.1053 | |
| 464 | F | A | 0.1198 | |
| 465 | T | A | 0.0000 | |
| 466 | Q | A | -0.9720 | |
| 467 | V | A | 0.0000 | |
| 468 | Y | A | 0.0000 | |
| 469 | N | A | -0.5490 | |
| 470 | W | A | 0.0000 | |
| 471 | D | A | -1.5934 | |
| 472 | A | A | -1.7666 | |
| 473 | E | A | -2.7943 | |
| 474 | K | A | -2.7634 | |
| 475 | A | A | -1.5830 | |
| 476 | K | A | -1.3635 | |
| 477 | F | A | 0.0000 | |
| 478 | V | A | -0.5736 | |
| 479 | K | A | -1.5626 | |
| 480 | F | A | -0.8024 | |
| 481 | Q | A | -1.3033 | |
| 482 | E | A | -2.0701 | |
| 483 | L | A | 0.0000 | |
| 484 | N | A | -1.7173 | |
| 485 | V | A | 0.0000 | |
| 486 | Q | A | -1.7900 | |
| 487 | A | A | 0.0000 | |
| 488 | P | A | 0.0000 | |
| 489 | R | A | -0.3959 | |
| 490 | S | A | -0.1058 | |
| 491 | F | A | 0.0000 | |
| 492 | T | A | -0.2385 | |
| 493 | H | A | -0.5413 | |
| 494 | V | A | 0.0000 | |
| 495 | S | A | -1.4446 | |
| 496 | I | A | 0.0000 | |
| 497 | N | A | -2.7284 | |
| 498 | K | A | -2.8971 | |
| 499 | R | A | -2.1175 | |
| 500 | N | A | -1.4250 | |
| 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 | -0.6488 | |
| 508 | K | A | -2.1368 | |
| 509 | G | A | -1.8137 | |
| 510 | N | A | -1.7850 | |
| 511 | T | A | 0.0000 | |
| 512 | Q | A | 0.0000 | |
| 513 | I | A | 0.0000 | |
| 514 | Y | A | 0.0000 | |
| 515 | K | A | -0.8401 | |
| 516 | H | A | 0.0000 | |
| 517 | V | A | 1.1364 | |
| 518 | I | A | 2.7500 | |
| 519 | V | A | 2.1001 | |
| 520 | D | A | 0.9845 | |
| 521 | L | A | 0.8400 | |
| 522 | S | A | 0.0000 | |
| 523 | A | A | -0.1124 | |
| 1 | Q | B | -1.4968 | |
| 2 | V | B | -0.7887 | |
| 3 | Q | B | -0.9400 | |
| 4 | L | B | 0.0000 | |
| 5 | V | B | 0.3777 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.6084 | |
| 8 | G | B | -0.9650 | |
| 9 | G | B | -0.3219 | |
| 10 | G | B | 0.4089 | |
| 11 | V | B | 1.4983 | |
| 12 | V | B | -0.0196 | |
| 13 | Q | B | -1.2519 | |
| 14 | P | B | -1.5240 | |
| 15 | G | B | -1.9259 | |
| 16 | R | B | -2.7291 | |
| 17 | S | B | -1.9437 | |
| 18 | L | B | -1.0608 | |
| 19 | R | B | -1.6795 | |
| 20 | L | B | 0.0000 | |
| 21 | S | B | -0.5757 | |
| 22 | C | B | 0.0000 | |
| 23 | A | B | -0.3155 | |
| 24 | A | B | 0.0000 | |
| 25 | S | B | -0.7415 | |
| 26 | G | B | -0.8368 | |
| 27 | F | B | -0.5883 | |
| 28 | T | B | -0.7048 | |
| 29 | F | B | 0.0000 | |
| 30 | R | B | -2.4828 | |
| 31 | S | B | 0.0000 | |
| 32 | Y | B | 0.0000 | |
| 33 | G | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | V | B | 0.0000 | |
| 38 | R | B | 0.0000 | |
| 39 | Q | B | -0.8018 | |
| 40 | A | B | -1.2192 | |
| 41 | P | B | -1.1938 | |
| 42 | G | B | -1.4537 | |
| 43 | K | B | -2.3582 | |
| 44 | G | B | -1.5812 | |
| 45 | L | B | 0.0000 | |
| 46 | E | B | -0.9282 | |
| 47 | W | B | 0.0000 | |
| 48 | V | B | 0.0000 | |
| 49 | A | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | M | B | 0.0000 | |
| 52 | W | B | -1.4371 | |
| 53 | Q | B | -2.0648 | |
| 54 | D | B | -2.8239 | |
| 55 | G | B | -2.5219 | |
| 56 | E | B | -2.8729 | |
| 57 | N | B | -2.2446 | |
| 58 | T | B | -1.2490 | |
| 59 | H | B | -1.0909 | |
| 60 | Y | B | -1.2413 | |
| 61 | R | B | -1.7502 | |
| 62 | D | B | -2.6927 | |
| 63 | S | B | -1.7313 | |
| 64 | L | B | 0.0000 | |
| 65 | K | B | -2.7166 | |
| 66 | G | B | -1.7253 | |
| 67 | R | B | -1.2498 | |
| 68 | F | B | 0.0000 | |
| 69 | T | B | -0.8547 | |
| 70 | I | B | 0.0000 | |
| 71 | S | B | -0.8744 | |
| 72 | R | B | -1.5762 | |
| 73 | D | B | -1.9259 | |
| 74 | N | B | -2.5657 | |
| 75 | S | B | -1.9184 | |
| 76 | K | B | -2.4165 | |
| 77 | N | B | -2.0248 | |
| 78 | T | B | -1.1659 | |
| 79 | V | B | 0.0000 | |
| 80 | D | B | -0.8307 | |
| 81 | L | B | 0.0000 | |
| 82 | Q | B | -1.0061 | |
| 83 | M | B | 0.0000 | |
| 84 | N | B | -1.7641 | |
| 85 | S | B | -1.7730 | |
| 86 | L | B | 0.0000 | |
| 87 | R | B | -1.7595 | |
| 88 | V | B | -0.0013 | |
| 89 | E | B | -1.4561 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | -0.1255 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | -0.0025 | |
| 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 | E | B | 0.0000 | |
| 100 | L | B | 0.0000 | |
| 101 | W | B | 0.0000 | |
| 102 | F | B | 0.0223 | |
| 103 | G | B | 0.0000 | |
| 104 | K | B | -0.2297 | |
| 105 | L | B | 0.0000 | |
| 106 | R | B | 0.0000 | |
| 107 | G | B | 0.0000 | |
| 108 | M | B | 0.0000 | |
| 109 | D | B | -0.2683 | |
| 110 | V | B | -0.1600 | |
| 111 | W | B | 0.0000 | |
| 112 | G | B | 0.0000 | |
| 113 | Q | B | -1.8361 | |
| 114 | G | B | 0.0000 | |
| 115 | T | B | -0.3370 | |
| 116 | T | B | 0.1344 | |
| 117 | V | B | 0.0000 | |
| 118 | T | B | 0.4175 | |
| 119 | V | B | 0.0000 | |
| 120 | S | B | -0.0614 | |
| 121 | S | B | -0.2778 | |
| 1 | D | C | -2.3147 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.3159 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.3759 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.7595 | |
| 8 | P | C | -0.6368 | |
| 9 | S | C | -1.0171 | |
| 10 | S | C | -1.3509 | |
| 11 | L | C | -0.9275 | |
| 12 | S | C | -1.1604 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -0.2870 | |
| 15 | V | C | 0.6005 | |
| 16 | G | C | -0.8612 | |
| 17 | D | C | -1.7864 | |
| 18 | R | C | -2.5198 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6277 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.7865 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.5209 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.1947 | |
| 27 | Q | C | -2.7036 | |
| 28 | N | C | -2.1528 | |
| 29 | I | C | 0.0000 | |
| 30 | T | C | 0.0000 | |
| 31 | R | C | 0.0000 | |
| 32 | F | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | S | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | -0.9097 | |
| 38 | H | C | 0.0000 | |
| 39 | N | C | -1.7321 | |
| 40 | P | C | -1.3451 | |
| 41 | G | C | -1.7403 | |
| 42 | K | C | -2.7611 | |
| 43 | G | C | -1.8113 | |
| 44 | P | C | 0.0000 | |
| 45 | N | C | -1.3030 | |
| 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 | -0.2814 | |
| 53 | S | C | 0.0000 | |
| 54 | L | C | -0.1762 | |
| 55 | H | C | -0.4025 | |
| 56 | S | C | -0.5866 | |
| 57 | G | C | -0.6884 | |
| 58 | V | C | -0.3742 | |
| 59 | P | C | -0.3402 | |
| 60 | S | C | -0.5673 | |
| 61 | R | C | -1.0347 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.3505 | |
| 64 | G | C | -0.2966 | |
| 65 | G | C | -0.3677 | |
| 66 | G | C | -0.5265 | |
| 67 | Y | C | -0.1086 | |
| 68 | G | C | -0.9978 | |
| 69 | T | C | -1.6992 | |
| 70 | D | C | -1.8602 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.5910 | |
| 73 | L | C | 0.0000 | |
| 74 | T | C | -0.7384 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.8329 | |
| 77 | N | C | -2.0389 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -1.0833 | |
| 80 | P | C | -0.7600 | |
| 81 | E | C | -1.8795 | |
| 82 | D | C | 0.0000 | |
| 83 | F | C | -0.7614 | |
| 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 | S | C | 0.0000 | |
| 92 | H | C | -0.6335 | |
| 93 | T | C | -0.8114 | |
| 94 | T | C | -0.5402 | |
| 95 | P | C | -0.8279 | |
| 96 | P | C | -1.0074 | |
| 97 | W | C | 0.0000 | |
| 98 | T | C | -0.8817 | |
| 99 | F | C | 0.0000 | |
| 100 | G | C | 0.0000 | |
| 101 | Q | C | -1.8416 | |
| 102 | G | C | 0.0000 | |
| 103 | T | C | 0.0000 | |
| 104 | K | C | -2.2238 | |
| 105 | V | C | 0.0000 | |
| 106 | D | C | -1.7204 | |
| 107 | I | C | 0.4100 | |
| 108 | K | C | -1.0053 |
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 | -0.7166 | 4.328 | View | CSV | PDB |
| 4.5 | -0.7601 | 4.3283 | View | CSV | PDB |
| 5.0 | -0.8106 | 4.3291 | View | CSV | PDB |
| 5.5 | -0.8574 | 4.3315 | View | CSV | PDB |
| 6.0 | -0.8891 | 4.3378 | View | CSV | PDB |
| 6.5 | -0.8986 | 4.3508 | View | CSV | PDB |
| 7.0 | -0.8874 | 4.3706 | View | CSV | PDB |
| 7.5 | -0.8627 | 4.3945 | View | CSV | PDB |
| 8.0 | -0.8298 | 4.4201 | View | CSV | PDB |
| 8.5 | -0.79 | 4.4463 | View | CSV | PDB |
| 9.0 | -0.7427 | 4.4726 | 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