| Chain sequence(s) | MVQKSRNGGVYPGPSGEKKLKVGFVGLDPGAPDSTRDGALLIAGSEAPKRGSILSKPRAGGAGAGKPPKRNAFYRKLQNFLYNVLERPRGWAFIYHAYVFLLVFSCLVLSVFSTIKEYEKSSEGALYILEIVTIVVFGVEYFVRIWAAGCCCRYRGWRGRLKFARKPFCVIDIMVLIASIAVLAAGSQGNVFATSALRSLRFLQILRMIRMDRRGGTWKLLGSVVYAHSKELVTAWYIGFLCLILASFLVYLAEKGENDHFDTYADALWWGLITLTTIGYGDKYPQTWNGRLLAATFTLIGVSFFALPAGILGSGFALKVQEQHRQKHFEKRRNPAAGLIQSAWRFYATNLSRTDLHSTWQYYERTVTVPMEVSQDSGGLIPPLNQLELLRNLKSKSGLAFRKEPPPEPSPSPRGVAAKGKGSPQAQTVRRSPSADQSLEDSPSKVPKSWSFGDRSRARQAFRIKGAASRQNSEEASLPGEDIVDDKSCPCEFVTEDLTPGLKVSIRAVCVMRFLVSKRKFKESLRPYDVMDVIEQYSAGHLDMLSRIKSLQSRVDQIVGRGPAITDKDRTKGPAEAELPEDPSMMGRLGKVEKQVLSMEKKLDFLVNIYMQRMGIPPTETEAYFGAKEPEPAPPYHSPEDSREHVDRHGCIVKIVRSSSSTGQKNFSAPPAAPPVQCPPSTSWQPQSHPRQGHGTSPVGDPGSLVRIPPPPAHERSLSAYGGGNRASTEFLRQEDAPGCRPPEGTLRDSDTSISIPSVDHEELERSFSGFSISQSKENLDALNSCYAAVAPCAKVRPYIAEGESDTDSDLCTPCGPPPRSATGEGPFGDVGWAGPRK input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:25:58)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4faa324f663a2a/tmp/folded.pdb (00:25:58)
[INFO] Main: Simulation completed successfully. (00:43:34)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 1.6530 | |
| 2 | V | A | 1.2258 | |
| 3 | Q | A | -1.0668 | |
| 4 | K | A | -2.4480 | |
| 5 | S | A | -2.5218 | |
| 6 | R | A | -3.2215 | |
| 7 | N | A | -2.5539 | |
| 8 | G | A | -1.4746 | |
| 9 | G | A | 0.1304 | |
| 10 | V | A | 2.0345 | |
| 11 | Y | A | 1.8059 | |
| 12 | P | A | 0.5594 | |
| 13 | G | A | -0.5386 | |
| 14 | P | A | -0.8359 | |
| 15 | S | A | -1.2443 | |
| 16 | G | A | -2.2032 | |
| 17 | E | A | -3.2114 | |
| 18 | K | A | -3.4285 | |
| 19 | K | A | -2.5846 | |
| 20 | L | A | -0.3122 | |
| 21 | K | A | -0.7240 | |
| 22 | V | A | 1.6556 | |
| 23 | G | A | 1.4859 | |
| 24 | F | A | 2.8515 | |
| 25 | V | A | 2.7188 | |
| 26 | G | A | 1.1642 | |
| 27 | L | A | 0.9297 | |
| 28 | D | A | -1.2254 | |
| 29 | P | A | -1.2049 | |
| 30 | G | A | -1.0554 | |
| 31 | A | A | -0.9792 | |
| 32 | P | A | -1.2563 | |
| 33 | D | A | -2.0669 | |
| 34 | S | A | -1.5696 | |
| 35 | T | A | -1.8840 | |
| 36 | R | A | -2.7294 | |
| 37 | D | A | -2.6295 | |
| 38 | G | A | -0.9938 | |
| 39 | A | A | 0.4100 | |
| 40 | L | A | 2.2698 | |
| 41 | L | A | 3.1283 | |
| 42 | I | A | 3.1225 | |
| 43 | A | A | 1.5137 | |
| 44 | G | A | -0.2314 | |
| 45 | S | A | -1.2940 | |
| 46 | E | A | -2.0595 | |
| 47 | A | A | -1.3687 | |
| 48 | P | A | -1.9017 | |
| 49 | K | A | -2.8733 | |
| 50 | R | A | -3.0159 | |
| 51 | G | A | -1.2456 | |
| 52 | S | A | 0.3459 | |
| 53 | I | A | 2.2084 | |
| 54 | L | A | 1.8472 | |
| 55 | S | A | -0.1512 | |
| 56 | K | A | -1.7051 | |
| 57 | P | A | -1.8952 | |
| 58 | R | A | -2.5796 | |
| 59 | A | A | -1.4561 | |
| 60 | G | A | -1.1196 | |
| 61 | G | A | -0.9251 | |
| 62 | A | A | -0.4912 | |
| 63 | G | A | -0.9509 | |
| 64 | A | A | -0.9570 | |
| 65 | G | A | -1.5101 | |
| 66 | K | A | -2.4472 | |
| 67 | P | A | -2.2079 | |
| 68 | P | A | -2.4001 | |
| 69 | K | A | -2.8467 | |
| 70 | R | A | -2.7034 | |
| 71 | N | A | -2.0611 | |
| 72 | A | A | -1.2704 | |
| 73 | F | A | -0.2621 | |
| 74 | Y | A | 0.1390 | |
| 75 | R | A | -0.8295 | |
| 76 | K | A | -1.0210 | |
| 77 | L | A | 0.5037 | |
| 78 | Q | A | 0.0000 | |
| 79 | N | A | 0.0369 | |
| 80 | F | A | 1.1270 | |
| 81 | L | A | 0.7126 | |
| 82 | Y | A | 0.0000 | |
| 83 | N | A | -0.5345 | |
| 84 | V | A | 0.3040 | |
| 85 | L | A | 0.0000 | |
| 86 | E | A | 0.0000 | |
| 87 | R | A | -1.5924 | |
| 88 | P | A | -0.5923 | |
| 89 | R | A | -1.4714 | |
| 90 | G | A | 0.0054 | |
| 91 | W | A | 1.7281 | |
| 92 | A | A | 1.2618 | |
| 93 | F | A | 2.6239 | |
| 94 | I | A | 3.1482 | |
| 95 | Y | A | 2.5361 | |
| 96 | H | A | 2.1967 | |
| 97 | A | A | 2.4634 | |
| 98 | Y | A | 2.7331 | |
| 99 | V | A | 0.0000 | |
| 100 | F | A | 2.7902 | |
| 101 | L | A | 2.9600 | |
| 102 | L | A | 2.1382 | |
| 103 | V | A | 0.0000 | |
| 104 | F | A | 2.8302 | |
| 105 | S | A | 1.7918 | |
| 106 | C | A | 0.0000 | |
| 107 | L | A | 2.3270 | |
| 108 | V | A | 2.0576 | |
| 109 | L | A | 1.8306 | |
| 110 | S | A | 1.5857 | |
| 111 | V | A | 2.8156 | |
| 112 | F | A | 1.8760 | |
| 113 | S | A | 0.0000 | |
| 114 | T | A | 0.1403 | |
| 115 | I | A | 0.1459 | |
| 116 | K | A | -2.2103 | |
| 117 | E | A | -2.2034 | |
| 118 | Y | A | -0.5421 | |
| 119 | E | A | -1.7644 | |
| 120 | K | A | -2.5630 | |
| 121 | S | A | -1.3221 | |
| 122 | S | A | 0.0000 | |
| 123 | E | A | -0.9164 | |
| 124 | G | A | -0.3296 | |
| 125 | A | A | 0.4430 | |
| 126 | L | A | 0.0000 | |
| 127 | Y | A | 2.3248 | |
| 128 | I | A | 2.9709 | |
| 129 | L | A | 2.2573 | |
| 130 | E | A | 0.0000 | |
| 131 | I | A | 2.8785 | |
| 132 | V | A | 2.7875 | |
| 133 | T | A | 0.0000 | |
| 134 | I | A | 2.4579 | |
| 135 | V | A | 3.1191 | |
| 136 | V | A | 2.2020 | |
| 137 | F | A | 0.0000 | |
| 138 | G | A | 2.6766 | |
| 139 | V | A | 3.1539 | |
| 140 | E | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | F | A | 3.0290 | |
| 143 | V | A | 2.1868 | |
| 144 | R | A | 0.0000 | |
| 145 | I | A | 1.2665 | |
| 146 | W | A | 1.0735 | |
| 147 | A | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | C | A | -0.6969 | |
| 152 | C | A | -0.6691 | |
| 153 | R | A | -2.4196 | |
| 154 | Y | A | -1.9690 | |
| 155 | R | A | -2.4873 | |
| 156 | G | A | -1.3553 | |
| 157 | W | A | -0.5415 | |
| 158 | R | A | -2.3237 | |
| 159 | G | A | -2.2541 | |
| 160 | R | A | -1.7855 | |
| 161 | L | A | -1.5298 | |
| 162 | K | A | -3.0272 | |
| 163 | F | A | 0.0000 | |
| 164 | A | A | -1.1807 | |
| 165 | R | A | -2.1974 | |
| 166 | K | A | -1.4995 | |
| 167 | P | A | -0.4837 | |
| 168 | F | A | 0.1205 | |
| 169 | C | A | 0.0000 | |
| 170 | V | A | 1.1414 | |
| 171 | I | A | 1.5358 | |
| 172 | D | A | 0.0000 | |
| 173 | I | A | 2.1336 | |
| 174 | M | A | 2.1448 | |
| 175 | V | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | I | A | 2.8257 | |
| 178 | A | A | 1.7259 | |
| 179 | S | A | 0.0000 | |
| 180 | I | A | 2.2526 | |
| 181 | A | A | 1.2882 | |
| 182 | V | A | 0.0000 | |
| 183 | L | A | 1.0739 | |
| 184 | A | A | 0.1318 | |
| 185 | A | A | -0.0972 | |
| 186 | G | A | -0.0102 | |
| 187 | S | A | -0.9889 | |
| 188 | Q | A | -1.4679 | |
| 189 | G | A | -0.7017 | |
| 190 | N | A | 0.2085 | |
| 191 | V | A | 2.1009 | |
| 192 | F | A | 2.5169 | |
| 193 | A | A | 0.8210 | |
| 194 | T | A | 0.3106 | |
| 195 | S | A | 0.2471 | |
| 196 | A | A | 0.1753 | |
| 197 | L | A | -0.0629 | |
| 198 | R | A | -1.5511 | |
| 199 | S | A | -0.2780 | |
| 200 | L | A | 0.7050 | |
| 201 | R | A | 0.8848 | |
| 202 | F | A | 2.2251 | |
| 203 | L | A | 1.8007 | |
| 204 | Q | A | 0.0000 | |
| 205 | I | A | 2.4807 | |
| 206 | L | A | 1.7851 | |
| 207 | R | A | 0.0000 | |
| 208 | M | A | 1.5933 | |
| 209 | I | A | 1.2702 | |
| 210 | R | A | 0.0000 | |
| 211 | M | A | 0.4055 | |
| 212 | D | A | -0.4051 | |
| 213 | R | A | -1.0666 | |
| 214 | R | A | -2.1109 | |
| 215 | G | A | 0.0000 | |
| 216 | G | A | -0.8993 | |
| 217 | T | A | -0.0480 | |
| 218 | W | A | 0.4473 | |
| 219 | K | A | -0.8540 | |
| 220 | L | A | 0.7557 | |
| 221 | L | A | 1.3822 | |
| 222 | G | A | 0.6665 | |
| 223 | S | A | 0.6130 | |
| 224 | V | A | 0.0000 | |
| 225 | V | A | 1.0526 | |
| 226 | Y | A | 1.2178 | |
| 227 | A | A | 0.3417 | |
| 228 | H | A | -0.2556 | |
| 229 | S | A | -0.2635 | |
| 230 | K | A | -1.5065 | |
| 231 | E | A | -1.0894 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 1.4726 | |
| 234 | T | A | 1.0708 | |
| 235 | A | A | 0.0000 | |
| 236 | W | A | 3.0630 | |
| 237 | Y | A | 3.3910 | |
| 238 | I | A | 3.0190 | |
| 239 | G | A | 0.0000 | |
| 240 | F | A | 3.9252 | |
| 241 | L | A | 3.1990 | |
| 242 | C | A | 2.9144 | |
| 243 | L | A | 2.8536 | |
| 244 | I | A | 2.7610 | |
| 245 | L | A | 2.8360 | |
| 246 | A | A | 0.0000 | |
| 247 | S | A | 0.0000 | |
| 248 | F | A | 2.6716 | |
| 249 | L | A | 1.9427 | |
| 250 | V | A | 0.0000 | |
| 251 | Y | A | 0.7773 | |
| 252 | L | A | 1.0911 | |
| 253 | A | A | -0.0533 | |
| 254 | E | A | 0.0000 | |
| 255 | K | A | -2.7710 | |
| 256 | G | A | -2.6914 | |
| 257 | E | A | -3.3171 | |
| 258 | N | A | 0.0000 | |
| 259 | D | A | -3.3215 | |
| 260 | H | A | -2.3835 | |
| 261 | F | A | 0.0000 | |
| 262 | D | A | -3.0061 | |
| 263 | T | A | -1.2457 | |
| 264 | Y | A | 0.4729 | |
| 265 | A | A | 0.2828 | |
| 266 | D | A | -0.4444 | |
| 267 | A | A | 0.0000 | |
| 268 | L | A | 1.4106 | |
| 269 | W | A | 0.9657 | |
| 270 | W | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | L | A | 1.4388 | |
| 273 | I | A | 0.0000 | |
| 274 | T | A | 0.8503 | |
| 275 | L | A | 0.0000 | |
| 276 | T | A | 0.7640 | |
| 277 | T | A | 0.9264 | |
| 278 | I | A | 1.6941 | |
| 279 | G | A | 0.6727 | |
| 280 | Y | A | 0.9436 | |
| 281 | G | A | -0.2829 | |
| 282 | D | A | -1.1394 | |
| 283 | K | A | -0.8558 | |
| 284 | Y | A | -0.0944 | |
| 285 | P | A | 0.0000 | |
| 286 | Q | A | -1.0399 | |
| 287 | T | A | -0.7594 | |
| 288 | W | A | 0.3341 | |
| 289 | N | A | -0.5327 | |
| 290 | G | A | 0.0000 | |
| 291 | R | A | -0.4760 | |
| 292 | L | A | 0.5224 | |
| 293 | L | A | 0.3786 | |
| 294 | A | A | 0.0000 | |
| 295 | A | A | 0.6636 | |
| 296 | T | A | 1.0970 | |
| 297 | F | A | 1.6292 | |
| 298 | T | A | 1.6117 | |
| 299 | L | A | 2.4584 | |
| 300 | I | A | 2.6145 | |
| 301 | G | A | 0.0000 | |
| 302 | V | A | 1.6948 | |
| 303 | S | A | 1.4235 | |
| 304 | F | A | 2.2289 | |
| 305 | F | A | 1.7833 | |
| 306 | A | A | 0.8490 | |
| 307 | L | A | 0.9362 | |
| 308 | P | A | 0.7187 | |
| 309 | A | A | 0.2489 | |
| 310 | G | A | -0.0096 | |
| 311 | I | A | 0.1167 | |
| 312 | L | A | 0.5637 | |
| 313 | G | A | 0.0784 | |
| 314 | S | A | 0.4041 | |
| 315 | G | A | 0.0000 | |
| 316 | F | A | 1.0685 | |
| 317 | A | A | 0.6716 | |
| 318 | L | A | 0.8351 | |
| 319 | K | A | -0.3825 | |
| 320 | V | A | -0.0658 | |
| 321 | Q | A | -1.7618 | |
| 322 | E | A | -2.5745 | |
| 323 | Q | A | -2.5885 | |
| 324 | H | A | -2.6454 | |
| 325 | R | A | -3.1807 | |
| 326 | Q | A | -3.0536 | |
| 327 | K | A | -3.2737 | |
| 328 | H | A | -2.2184 | |
| 329 | F | A | -1.9708 | |
| 330 | E | A | -3.7206 | |
| 331 | K | A | -3.4229 | |
| 332 | R | A | 0.0000 | |
| 333 | R | A | -3.3080 | |
| 334 | N | A | -2.8958 | |
| 335 | P | A | 0.0000 | |
| 336 | A | A | -1.2270 | |
| 337 | A | A | -0.5020 | |
| 338 | G | A | -0.6383 | |
| 339 | L | A | -0.3351 | |
| 340 | I | A | 1.6489 | |
| 341 | Q | A | -0.1436 | |
| 342 | S | A | 0.3015 | |
| 343 | A | A | 0.9591 | |
| 344 | W | A | 1.3762 | |
| 345 | R | A | -0.0768 | |
| 346 | F | A | 1.1361 | |
| 347 | Y | A | 1.3828 | |
| 348 | A | A | 0.0000 | |
| 349 | T | A | 0.0000 | |
| 350 | N | A | 0.2288 | |
| 351 | L | A | 0.4514 | |
| 352 | S | A | -0.4414 | |
| 353 | R | A | -1.0864 | |
| 354 | T | A | -1.3207 | |
| 355 | D | A | -2.1513 | |
| 356 | L | A | -1.3120 | |
| 357 | H | A | -1.5381 | |
| 358 | S | A | -0.7775 | |
| 359 | T | A | 0.0000 | |
| 360 | W | A | 0.0000 | |
| 361 | Q | A | -0.9049 | |
| 362 | Y | A | 0.2493 | |
| 363 | Y | A | -0.0516 | |
| 364 | E | A | -1.2025 | |
| 365 | R | A | -1.2123 | |
| 366 | T | A | 0.0015 | |
| 367 | V | A | 0.2820 | |
| 368 | T | A | 0.1712 | |
| 369 | V | A | 1.3911 | |
| 370 | P | A | 0.8131 | |
| 371 | M | A | 0.6995 | |
| 372 | E | A | -0.7674 | |
| 373 | V | A | 0.8684 | |
| 374 | S | A | -0.3581 | |
| 375 | Q | A | -2.0904 | |
| 376 | D | A | -2.4792 | |
| 377 | S | A | -1.1282 | |
| 378 | G | A | -0.8945 | |
| 379 | G | A | 0.1862 | |
| 380 | L | A | 2.0714 | |
| 381 | I | A | 2.7828 | |
| 382 | P | A | 1.1395 | |
| 383 | P | A | 0.6739 | |
| 384 | L | A | 1.0137 | |
| 385 | N | A | -0.6817 | |
| 386 | Q | A | -0.5616 | |
| 387 | L | A | 0.1084 | |
| 388 | E | A | -1.6744 | |
| 389 | L | A | -0.1459 | |
| 390 | L | A | -0.9729 | |
| 391 | R | A | -2.7876 | |
| 392 | N | A | -2.4828 | |
| 393 | L | A | -1.4847 | |
| 394 | K | A | -2.7898 | |
| 395 | S | A | -2.2725 | |
| 396 | K | A | -2.6080 | |
| 397 | S | A | -1.3642 | |
| 398 | G | A | -0.5640 | |
| 399 | L | A | 1.3031 | |
| 400 | A | A | 1.0166 | |
| 401 | F | A | 0.8712 | |
| 402 | R | A | -2.1277 | |
| 403 | K | A | -3.1179 | |
| 404 | E | A | -3.0760 | |
| 405 | P | A | -1.7075 | |
| 406 | P | A | -1.4586 | |
| 407 | P | A | -1.5744 | |
| 408 | E | A | -2.1887 | |
| 409 | P | A | -1.5044 | |
| 410 | S | A | -0.9749 | |
| 411 | P | A | -0.5689 | |
| 412 | S | A | -0.8970 | |
| 413 | P | A | -1.2671 | |
| 414 | R | A | -1.8128 | |
| 415 | G | A | -0.5487 | |
| 416 | V | A | 1.1248 | |
| 417 | A | A | 0.2979 | |
| 418 | A | A | -0.5080 | |
| 419 | K | A | -2.2864 | |
| 420 | G | A | -2.3146 | |
| 421 | K | A | -2.5495 | |
| 422 | G | A | -1.5468 | |
| 423 | S | A | -1.1494 | |
| 424 | P | A | -1.0383 | |
| 425 | Q | A | -1.5831 | |
| 426 | A | A | -1.0578 | |
| 427 | Q | A | -1.2321 | |
| 428 | T | A | -0.1760 | |
| 429 | V | A | 0.1866 | |
| 430 | R | A | -2.2146 | |
| 431 | R | A | -2.6503 | |
| 432 | S | A | -1.6661 | |
| 433 | P | A | -0.8437 | |
| 434 | S | A | -0.7390 | |
| 435 | A | A | -1.2368 | |
| 436 | D | A | -2.4922 | |
| 437 | Q | A | -1.9335 | |
| 438 | S | A | -0.8006 | |
| 439 | L | A | -0.2765 | |
| 440 | E | A | -1.9996 | |
| 441 | D | A | -2.5540 | |
| 442 | S | A | -1.6346 | |
| 443 | P | A | -1.1848 | |
| 444 | S | A | -0.8258 | |
| 445 | K | A | -1.2202 | |
| 446 | V | A | 0.2291 | |
| 447 | P | A | -0.5030 | |
| 448 | K | A | -1.3691 | |
| 449 | S | A | -0.1415 | |
| 450 | W | A | 0.9392 | |
| 451 | S | A | 0.9530 | |
| 452 | F | A | 1.1938 | |
| 453 | G | A | -0.5514 | |
| 454 | D | A | -2.8671 | |
| 455 | R | A | -3.4303 | |
| 456 | S | A | -3.1817 | |
| 457 | R | A | -3.5334 | |
| 458 | A | A | -2.4286 | |
| 459 | R | A | -3.0251 | |
| 460 | Q | A | -2.1001 | |
| 461 | A | A | -0.4659 | |
| 462 | F | A | 0.6138 | |
| 463 | R | A | -0.9856 | |
| 464 | I | A | 0.5758 | |
| 465 | K | A | -1.0756 | |
| 466 | G | A | -1.1126 | |
| 467 | A | A | -0.7497 | |
| 468 | A | A | -0.9413 | |
| 469 | S | A | -1.5529 | |
| 470 | R | A | -2.7976 | |
| 471 | Q | A | -2.9763 | |
| 472 | N | A | -2.8446 | |
| 473 | S | A | -2.6492 | |
| 474 | E | A | -3.2307 | |
| 475 | E | A | -2.7406 | |
| 476 | A | A | -1.1662 | |
| 477 | S | A | 0.1004 | |
| 478 | L | A | 1.2090 | |
| 479 | P | A | -0.0371 | |
| 480 | G | A | -1.4677 | |
| 481 | E | A | -2.5993 | |
| 482 | D | A | -1.4376 | |
| 483 | I | A | 1.2971 | |
| 484 | V | A | 0.9157 | |
| 485 | D | A | -1.7253 | |
| 486 | D | A | -3.0232 | |
| 487 | K | A | -2.7112 | |
| 488 | S | A | -1.0977 | |
| 489 | C | A | -0.2498 | |
| 490 | P | A | -0.0860 | |
| 491 | C | A | 0.7644 | |
| 492 | E | A | 0.0426 | |
| 493 | F | A | 1.7852 | |
| 494 | V | A | 1.3770 | |
| 495 | T | A | -0.3443 | |
| 496 | E | A | -1.8940 | |
| 497 | D | A | -2.5074 | |
| 498 | L | A | 0.0000 | |
| 499 | T | A | -0.8424 | |
| 500 | P | A | -0.2264 | |
| 501 | G | A | -0.0168 | |
| 502 | L | A | 0.2466 | |
| 503 | K | A | 0.1995 | |
| 504 | V | A | 1.3586 | |
| 505 | S | A | 0.8012 | |
| 506 | I | A | 0.9628 | |
| 507 | R | A | 0.6340 | |
| 508 | A | A | 0.9866 | |
| 509 | V | A | 1.2744 | |
| 510 | C | A | 0.0000 | |
| 511 | V | A | 1.1430 | |
| 512 | M | A | 1.0268 | |
| 513 | R | A | -0.8506 | |
| 514 | F | A | 0.1999 | |
| 515 | L | A | 0.3420 | |
| 516 | V | A | -0.3073 | |
| 517 | S | A | -1.2198 | |
| 518 | K | A | -1.9775 | |
| 519 | R | A | -3.3619 | |
| 520 | K | A | -3.1296 | |
| 521 | F | A | -2.7301 | |
| 522 | K | A | -3.5468 | |
| 523 | E | A | -3.8010 | |
| 524 | S | A | -2.4755 | |
| 525 | L | A | -1.1879 | |
| 526 | R | A | -1.5367 | |
| 527 | P | A | -0.3959 | |
| 528 | Y | A | 0.6754 | |
| 529 | D | A | 0.3250 | |
| 530 | V | A | 1.9849 | |
| 531 | M | A | 1.4804 | |
| 532 | D | A | 0.2948 | |
| 533 | V | A | 1.5172 | |
| 534 | I | A | 1.4156 | |
| 535 | E | A | -0.9237 | |
| 536 | Q | A | -0.5299 | |
| 537 | Y | A | 0.7019 | |
| 538 | S | A | -0.0107 | |
| 539 | A | A | -0.1899 | |
| 540 | G | A | -0.3381 | |
| 541 | H | A | -0.4657 | |
| 542 | L | A | 0.7677 | |
| 543 | D | A | -0.6579 | |
| 544 | M | A | -0.1954 | |
| 545 | L | A | 0.1526 | |
| 546 | S | A | -0.8908 | |
| 547 | R | A | -1.5002 | |
| 548 | I | A | -0.3049 | |
| 549 | K | A | -1.8815 | |
| 550 | S | A | -1.3035 | |
| 551 | L | A | -0.4387 | |
| 552 | Q | A | -1.7074 | |
| 553 | S | A | -1.8771 | |
| 554 | R | A | -1.7187 | |
| 555 | V | A | -0.5289 | |
| 556 | D | A | -2.0394 | |
| 557 | Q | A | -1.6259 | |
| 558 | I | A | 0.7273 | |
| 559 | V | A | 0.2664 | |
| 560 | G | A | -1.5119 | |
| 561 | R | A | -2.3090 | |
| 562 | G | A | -1.1791 | |
| 563 | P | A | -0.3650 | |
| 564 | A | A | 0.1487 | |
| 565 | I | A | 1.1506 | |
| 566 | T | A | -0.9652 | |
| 567 | D | A | -2.8464 | |
| 568 | K | A | -3.6030 | |
| 569 | D | A | -4.2060 | |
| 570 | R | A | -3.8055 | |
| 571 | T | A | -2.4244 | |
| 572 | K | A | -2.5151 | |
| 573 | G | A | -1.4627 | |
| 574 | P | A | -1.1230 | |
| 575 | A | A | -1.3986 | |
| 576 | E | A | -2.0678 | |
| 577 | A | A | -1.3199 | |
| 578 | E | A | -1.8516 | |
| 579 | L | A | -0.4144 | |
| 580 | P | A | -1.3295 | |
| 581 | E | A | -3.0828 | |
| 582 | D | A | -2.7651 | |
| 583 | P | A | -1.6064 | |
| 584 | S | A | 0.0000 | |
| 585 | M | A | 0.1461 | |
| 586 | M | A | -0.1361 | |
| 587 | G | A | -1.4578 | |
| 588 | R | A | -2.1013 | |
| 589 | L | A | -0.2228 | |
| 590 | G | A | -1.3071 | |
| 591 | K | A | -2.2789 | |
| 592 | V | A | -0.3387 | |
| 593 | E | A | -1.8211 | |
| 594 | K | A | -2.5082 | |
| 595 | Q | A | -1.5590 | |
| 596 | V | A | -0.2936 | |
| 597 | L | A | -0.7557 | |
| 598 | S | A | -1.3405 | |
| 599 | M | A | -0.9164 | |
| 600 | E | A | -1.9946 | |
| 601 | K | A | -2.1808 | |
| 602 | K | A | -1.1932 | |
| 603 | L | A | 0.2241 | |
| 604 | D | A | -1.0798 | |
| 605 | F | A | 1.2076 | |
| 606 | L | A | 1.9096 | |
| 607 | V | A | 1.0218 | |
| 608 | N | A | -0.0650 | |
| 609 | I | A | 1.0495 | |
| 610 | Y | A | 0.7876 | |
| 611 | M | A | 0.0840 | |
| 612 | Q | A | -1.3382 | |
| 613 | R | A | -1.5649 | |
| 614 | M | A | 0.0804 | |
| 615 | G | A | -0.5873 | |
| 616 | I | A | -0.2649 | |
| 617 | P | A | -0.7567 | |
| 618 | P | A | -1.2433 | |
| 619 | T | A | -1.2145 | |
| 620 | E | A | -1.4557 | |
| 621 | T | A | 0.0000 | |
| 622 | E | A | -1.8505 | |
| 623 | A | A | -0.4780 | |
| 624 | Y | A | 0.7266 | |
| 625 | F | A | 0.3987 | |
| 626 | G | A | -1.2515 | |
| 627 | A | A | -1.1612 | |
| 628 | K | A | -2.9527 | |
| 629 | E | A | -3.4972 | |
| 630 | P | A | -2.6704 | |
| 631 | E | A | -2.9080 | |
| 632 | P | A | -1.5891 | |
| 633 | A | A | -0.6565 | |
| 634 | P | A | -0.5245 | |
| 635 | P | A | -0.0849 | |
| 636 | Y | A | 0.5502 | |
| 637 | H | A | -0.9980 | |
| 638 | S | A | -1.1734 | |
| 639 | P | A | -1.8770 | |
| 640 | E | A | -3.1028 | |
| 641 | D | A | -3.5361 | |
| 642 | S | A | -3.0453 | |
| 643 | R | A | -3.4914 | |
| 644 | E | A | -3.1267 | |
| 645 | H | A | -1.7549 | |
| 646 | V | A | -0.3124 | |
| 647 | D | A | -2.2516 | |
| 648 | R | A | -2.9777 | |
| 649 | H | A | -2.3472 | |
| 650 | G | A | -0.5748 | |
| 651 | C | A | 1.7332 | |
| 652 | I | A | 2.8426 | |
| 653 | V | A | 2.5144 | |
| 654 | K | A | 0.9267 | |
| 655 | I | A | 1.9974 | |
| 656 | V | A | 1.4000 | |
| 657 | R | A | -0.6995 | |
| 658 | S | A | -0.8981 | |
| 659 | S | A | -0.8205 | |
| 660 | S | A | -0.4724 | |
| 661 | S | A | -0.5038 | |
| 662 | T | A | -0.7209 | |
| 663 | G | A | -1.4689 | |
| 664 | Q | A | -2.6308 | |
| 665 | K | A | -2.7304 | |
| 666 | N | A | -1.5704 | |
| 667 | F | A | 0.9125 | |
| 668 | S | A | 0.4342 | |
| 669 | A | A | 0.1755 | |
| 670 | P | A | -0.3778 | |
| 671 | P | A | -0.3175 | |
| 672 | A | A | -0.1800 | |
| 673 | A | A | -0.1656 | |
| 674 | P | A | -0.0058 | |
| 675 | P | A | 0.2207 | |
| 676 | V | A | 1.1078 | |
| 677 | Q | A | 0.0146 | |
| 678 | C | A | 0.3653 | |
| 679 | P | A | -0.2965 | |
| 680 | P | A | -0.3495 | |
| 681 | S | A | -0.4669 | |
| 682 | T | A | -0.1029 | |
| 683 | S | A | 0.0453 | |
| 684 | W | A | 0.4358 | |
| 685 | Q | A | -1.0241 | |
| 686 | P | A | -1.2095 | |
| 687 | Q | A | -1.8550 | |
| 688 | S | A | -1.3645 | |
| 689 | H | A | -1.8687 | |
| 690 | P | A | -1.9360 | |
| 691 | R | A | -2.8731 | |
| 692 | Q | A | -2.6547 | |
| 693 | G | A | -2.1791 | |
| 694 | H | A | -1.7767 | |
| 695 | G | A | -1.1264 | |
| 696 | T | A | -0.7553 | |
| 697 | S | A | -0.1752 | |
| 698 | P | A | 0.1418 | |
| 699 | V | A | 0.9514 | |
| 700 | G | A | -0.4305 | |
| 701 | D | A | -1.9194 | |
| 702 | P | A | -1.6256 | |
| 703 | G | A | -0.7642 | |
| 704 | S | A | 0.3654 | |
| 705 | L | A | 1.8281 | |
| 706 | V | A | 2.0122 | |
| 707 | R | A | 0.3450 | |
| 708 | I | A | 1.3334 | |
| 709 | P | A | 0.2678 | |
| 710 | P | A | -0.1663 | |
| 711 | P | A | -0.5596 | |
| 712 | P | A | -0.6136 | |
| 713 | A | A | -0.9509 | |
| 714 | H | A | -2.3477 | |
| 715 | E | A | -3.2420 | |
| 716 | R | A | -2.6358 | |
| 717 | S | A | -0.7518 | |
| 718 | L | A | 0.8989 | |
| 719 | S | A | 0.8692 | |
| 720 | A | A | 0.8314 | |
| 721 | Y | A | 0.9780 | |
| 722 | G | A | -0.2203 | |
| 723 | G | A | -0.9804 | |
| 724 | G | A | -1.8231 | |
| 725 | N | A | -2.4620 | |
| 726 | R | A | -2.5584 | |
| 727 | A | A | -1.2213 | |
| 728 | S | A | -1.0065 | |
| 729 | T | A | -0.7640 | |
| 730 | E | A | -0.6843 | |
| 731 | F | A | 1.4355 | |
| 732 | L | A | 0.9144 | |
| 733 | R | A | -1.7194 | |
| 734 | Q | A | -3.1308 | |
| 735 | E | A | -3.8217 | |
| 736 | D | A | -3.1111 | |
| 737 | A | A | -1.4042 | |
| 738 | P | A | -1.0630 | |
| 739 | G | A | -0.6689 | |
| 740 | C | A | -0.6116 | |
| 741 | R | A | -1.8028 | |
| 742 | P | A | -1.6486 | |
| 743 | P | A | -1.7680 | |
| 744 | E | A | -2.2724 | |
| 745 | G | A | -1.3189 | |
| 746 | T | A | -0.2976 | |
| 747 | L | A | 0.1844 | |
| 748 | R | A | -2.0163 | |
| 749 | D | A | -2.8519 | |
| 750 | S | A | -2.3203 | |
| 751 | D | A | -2.3216 | |
| 752 | T | A | -0.6803 | |
| 753 | S | A | 0.2887 | |
| 754 | I | A | 2.2137 | |
| 755 | S | A | 1.6095 | |
| 756 | I | A | 2.3444 | |
| 757 | P | A | 0.7529 | |
| 758 | S | A | 0.4189 | |
| 759 | V | A | 0.5409 | |
| 760 | D | A | -2.1748 | |
| 761 | H | A | -2.7068 | |
| 762 | E | A | -3.3445 | |
| 763 | E | A | -3.2407 | |
| 764 | L | A | -1.4139 | |
| 765 | E | A | -2.7429 | |
| 766 | R | A | -2.3078 | |
| 767 | S | A | -0.5640 | |
| 768 | F | A | 0.9049 | |
| 769 | S | A | 0.6960 | |
| 770 | G | A | 0.7351 | |
| 771 | F | A | 2.0147 | |
| 772 | S | A | 1.5291 | |
| 773 | I | A | 1.9624 | |
| 774 | S | A | 0.0896 | |
| 775 | Q | A | -1.3132 | |
| 776 | S | A | -2.0257 | |
| 777 | K | A | -3.2265 | |
| 778 | E | A | -3.0656 | |
| 779 | N | A | -2.3002 | |
| 780 | L | A | -0.3072 | |
| 781 | D | A | -0.9350 | |
| 782 | A | A | -0.0298 | |
| 783 | L | A | 0.4907 | |
| 784 | N | A | -0.4351 | |
| 785 | S | A | 0.1156 | |
| 786 | C | A | 1.0528 | |
| 787 | Y | A | 1.6771 | |
| 788 | A | A | 1.2211 | |
| 789 | A | A | 1.2400 | |
| 790 | V | A | 1.7821 | |
| 791 | A | A | 0.9485 | |
| 792 | P | A | 0.5568 | |
| 793 | C | A | 0.2488 | |
| 794 | A | A | -0.0646 | |
| 795 | K | A | -1.0543 | |
| 796 | V | A | 0.1669 | |
| 797 | R | A | -0.9287 | |
| 798 | P | A | 0.3898 | |
| 799 | Y | A | 1.7140 | |
| 800 | I | A | 1.8833 | |
| 801 | A | A | 0.1409 | |
| 802 | E | A | -1.8438 | |
| 803 | G | A | -2.2254 | |
| 804 | E | A | -3.0364 | |
| 805 | S | A | -2.5122 | |
| 806 | D | A | -2.9206 | |
| 807 | T | A | -2.3100 | |
| 808 | D | A | -2.6775 | |
| 809 | S | A | -1.8142 | |
| 810 | D | A | -1.3982 | |
| 811 | L | A | 0.7429 | |
| 812 | C | A | 1.0563 | |
| 813 | T | A | 0.6398 | |
| 814 | P | A | 0.3044 | |
| 815 | C | A | 0.3871 | |
| 816 | G | A | -0.3703 | |
| 817 | P | A | -0.6895 | |
| 818 | P | A | -1.0549 | |
| 819 | P | A | -1.4325 | |
| 820 | R | A | -2.1420 | |
| 821 | S | A | -1.1794 | |
| 822 | A | A | -0.8220 | |
| 823 | T | A | -0.7457 | |
| 824 | G | A | -1.4577 | |
| 825 | E | A | -2.3311 | |
| 826 | G | A | -1.1899 | |
| 827 | P | A | -0.1040 | |
| 828 | F | A | 1.1069 | |
| 829 | G | A | -0.1296 | |
| 830 | D | A | -0.8298 | |
| 831 | V | A | 0.8091 | |
| 832 | G | A | 0.5886 | |
| 833 | W | A | 1.2349 | |
| 834 | A | A | 0.1636 | |
| 835 | G | A | -0.6980 | |
| 836 | P | A | -1.7284 | |
| 837 | R | A | -2.8787 | |
| 838 | K | A | -2.6431 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | 0.025 | 7.2908 | View | CSV | PDB |
| 4.5 | -0.0465 | 7.2908 | View | CSV | PDB |
| 5.0 | -0.1342 | 7.2908 | View | CSV | PDB |
| 5.5 | -0.2203 | 7.2908 | View | CSV | PDB |
| 6.0 | -0.2866 | 7.2908 | View | CSV | PDB |
| 6.5 | -0.3219 | 7.2908 | View | CSV | PDB |
| 7.0 | -0.3267 | 7.2908 | View | CSV | PDB |
| 7.5 | -0.3104 | 7.2908 | View | CSV | PDB |
| 8.0 | -0.282 | 7.2907 | View | CSV | PDB |
| 8.5 | -0.2447 | 7.2904 | View | CSV | PDB |
| 9.0 | -0.1978 | 7.2896 | 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