| Chain sequence(s) |
A: MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
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 |
| Mutated residues | SE118A,SE305A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.0542041 kcal/mol |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] FoldX: Building mutant model (00:04:40)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:03)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c36d1eb702c3ae5/tmp/folded.pdb (00:05:03)
[INFO] Main: Simulation completed successfully. (00:09:22)
|
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 | 1.2750 | |
| 2 | T | A | 1.1029 | |
| 3 | M | A | 1.5152 | |
| 4 | T | A | 1.0145 | |
| 5 | L | A | 1.0918 | |
| 6 | H | A | -0.5333 | |
| 7 | T | A | -1.0232 | |
| 8 | K | A | -1.8314 | |
| 9 | A | A | -1.0298 | |
| 10 | S | A | -0.8854 | |
| 11 | G | A | -0.7970 | |
| 12 | M | A | -0.2592 | |
| 13 | A | A | -0.1435 | |
| 14 | L | A | -0.2142 | |
| 15 | L | A | -0.1690 | |
| 16 | H | A | -1.3325 | |
| 17 | Q | A | -1.4667 | |
| 18 | I | A | -0.4474 | |
| 19 | Q | A | -1.7976 | |
| 20 | G | A | -1.9346 | |
| 21 | N | A | -2.4107 | |
| 22 | E | A | -2.3357 | |
| 23 | L | A | -0.5958 | |
| 24 | E | A | -1.5956 | |
| 25 | P | A | -0.8299 | |
| 26 | L | A | 0.0039 | |
| 27 | N | A | -1.8781 | |
| 28 | R | A | -2.3055 | |
| 29 | P | A | -1.6734 | |
| 30 | Q | A | -1.3637 | |
| 31 | L | A | 0.3610 | |
| 32 | K | A | -0.2273 | |
| 33 | I | A | 1.4633 | |
| 34 | P | A | 0.4227 | |
| 35 | L | A | 0.4140 | |
| 36 | E | A | -1.8477 | |
| 37 | R | A | -2.2056 | |
| 38 | P | A | -0.7340 | |
| 39 | L | A | 0.5641 | |
| 40 | G | A | -0.3115 | |
| 41 | E | A | -0.2806 | |
| 42 | V | A | 1.8235 | |
| 43 | Y | A | 2.0095 | |
| 44 | L | A | 1.5228 | |
| 45 | D | A | -0.7202 | |
| 46 | S | A | -1.2131 | |
| 47 | S | A | -1.5862 | |
| 48 | K | A | -1.7676 | |
| 49 | P | A | -0.4866 | |
| 50 | A | A | 0.7072 | |
| 51 | V | A | 1.8821 | |
| 52 | Y | A | 1.8468 | |
| 53 | N | A | 0.1668 | |
| 54 | Y | A | 0.4888 | |
| 55 | P | A | -0.9128 | |
| 56 | E | A | -2.0115 | |
| 57 | G | A | -1.3649 | |
| 58 | A | A | -0.2357 | |
| 59 | A | A | -0.0457 | |
| 60 | Y | A | 0.7797 | |
| 61 | E | A | -0.5428 | |
| 62 | F | A | 0.7263 | |
| 63 | N | A | -0.6367 | |
| 64 | A | A | -0.3025 | |
| 65 | A | A | -0.1327 | |
| 66 | A | A | 0.1415 | |
| 67 | A | A | -0.1397 | |
| 68 | A | A | -0.5310 | |
| 69 | N | A | -1.4622 | |
| 70 | A | A | -0.7154 | |
| 71 | Q | A | -0.2148 | |
| 72 | V | A | 1.6760 | |
| 73 | Y | A | 1.4442 | |
| 74 | G | A | -0.1487 | |
| 75 | Q | A | -1.3099 | |
| 76 | T | A | -0.6662 | |
| 77 | G | A | -0.0810 | |
| 78 | L | A | 1.4407 | |
| 79 | P | A | 0.9115 | |
| 80 | Y | A | 1.1739 | |
| 81 | G | A | -0.0063 | |
| 82 | P | A | -0.4719 | |
| 83 | G | A | -1.1418 | |
| 84 | S | A | -1.3574 | |
| 85 | E | A | -1.9693 | |
| 86 | A | A | -0.9482 | |
| 87 | A | A | 0.1536 | |
| 88 | A | A | 0.9370 | |
| 89 | F | A | 1.7065 | |
| 90 | G | A | 0.1003 | |
| 91 | S | A | -0.7019 | |
| 92 | N | A | -1.3246 | |
| 93 | G | A | -0.4739 | |
| 94 | L | A | 0.6906 | |
| 95 | G | A | 0.3883 | |
| 96 | G | A | 0.6365 | |
| 97 | F | A | 1.3993 | |
| 98 | P | A | 0.7264 | |
| 99 | P | A | 0.4988 | |
| 100 | L | A | 0.7109 | |
| 101 | N | A | -0.2883 | |
| 102 | S | A | 0.2503 | |
| 103 | V | A | 1.2338 | |
| 104 | S | A | 0.3978 | |
| 105 | P | A | 0.0168 | |
| 106 | S | A | 0.0554 | |
| 107 | P | A | 0.7703 | |
| 108 | L | A | 2.4757 | |
| 109 | M | A | 2.7507 | |
| 110 | L | A | 2.9152 | |
| 111 | L | A | 2.2065 | |
| 112 | H | A | 0.1170 | |
| 113 | P | A | -0.4331 | |
| 114 | P | A | -0.6070 | |
| 115 | P | A | -0.9583 | |
| 116 | Q | A | -1.2415 | |
| 117 | L | A | 0.1670 | |
| 118 | E | A | -0.8418 | mutated: SE118A |
| 119 | P | A | 0.1813 | |
| 120 | F | A | 1.9187 | |
| 121 | L | A | 1.4486 | |
| 122 | Q | A | -0.4293 | |
| 123 | P | A | -0.8478 | |
| 124 | H | A | -1.8623 | |
| 125 | G | A | -1.7892 | |
| 126 | Q | A | -1.8285 | |
| 127 | Q | A | -1.1798 | |
| 128 | V | A | 1.0440 | |
| 129 | P | A | 1.2325 | |
| 130 | Y | A | 2.5234 | |
| 131 | Y | A | 2.0785 | |
| 132 | L | A | 1.0846 | |
| 133 | E | A | -1.6010 | |
| 134 | N | A | -2.6112 | |
| 135 | E | A | -3.0381 | |
| 136 | P | A | -1.6105 | |
| 137 | S | A | -0.7069 | |
| 138 | G | A | -0.2129 | |
| 139 | Y | A | 1.3725 | |
| 140 | T | A | 1.0233 | |
| 141 | V | A | 0.7786 | |
| 142 | R | A | -1.9736 | |
| 143 | E | A | -2.4678 | |
| 144 | A | A | -1.6231 | |
| 145 | G | A | -1.2327 | |
| 146 | P | A | -0.4023 | |
| 147 | P | A | 0.0005 | |
| 148 | A | A | 1.0881 | |
| 149 | F | A | 2.0917 | |
| 150 | Y | A | 1.3486 | |
| 151 | R | A | -1.1917 | |
| 152 | P | A | -1.5306 | |
| 153 | N | A | -2.3421 | |
| 154 | S | A | -2.0155 | |
| 155 | D | A | -3.1840 | |
| 156 | N | A | -3.5878 | |
| 157 | R | A | -4.0027 | |
| 158 | R | A | -3.7042 | |
| 159 | Q | A | -2.8270 | |
| 160 | G | A | -2.1801 | |
| 161 | G | A | -2.1920 | |
| 162 | R | A | -3.4356 | |
| 163 | E | A | -3.4105 | |
| 164 | R | A | -2.3594 | |
| 165 | L | A | 0.3167 | |
| 166 | A | A | 0.4285 | |
| 167 | S | A | -0.1409 | |
| 168 | T | A | -1.1794 | |
| 169 | N | A | -2.6355 | |
| 170 | D | A | -3.3736 | |
| 171 | K | A | -3.1103 | |
| 172 | G | A | -1.5415 | |
| 173 | S | A | -0.1448 | |
| 174 | M | A | 0.8992 | |
| 175 | A | A | 0.4344 | |
| 176 | M | A | 0.3701 | |
| 177 | E | A | -1.4975 | |
| 178 | S | A | -1.4560 | |
| 179 | A | A | -1.7570 | |
| 180 | K | A | -3.0390 | |
| 181 | E | A | -2.8239 | |
| 182 | T | A | -1.3695 | |
| 183 | R | A | -0.7727 | |
| 184 | Y | A | 0.7418 | |
| 185 | C | A | 0.0000 | |
| 186 | A | A | -0.0269 | |
| 187 | V | A | 0.0000 | |
| 188 | C | A | 0.0000 | |
| 189 | N | A | -1.2681 | |
| 190 | D | A | -0.9333 | |
| 191 | Y | A | 0.7284 | |
| 192 | A | A | 0.0000 | |
| 193 | S | A | -0.0636 | |
| 194 | G | A | 0.4704 | |
| 195 | Y | A | 1.1165 | |
| 196 | H | A | -0.0201 | |
| 197 | Y | A | -0.1319 | |
| 198 | G | A | 0.1614 | |
| 199 | V | A | 0.0000 | |
| 200 | W | A | 1.1415 | |
| 201 | S | A | 0.0000 | |
| 202 | C | A | 0.0000 | |
| 203 | E | A | -1.7540 | |
| 204 | G | A | -1.4270 | |
| 205 | C | A | 0.0000 | |
| 206 | K | A | -1.3646 | |
| 207 | A | A | -1.4974 | |
| 208 | F | A | -1.3852 | |
| 209 | F | A | 0.0000 | |
| 210 | K | A | -2.4949 | |
| 211 | R | A | -2.9792 | |
| 212 | S | A | 0.0000 | |
| 213 | I | A | -1.8877 | |
| 214 | Q | A | -2.6219 | |
| 215 | G | A | -2.3392 | |
| 216 | H | A | -2.3874 | |
| 217 | N | A | -2.1668 | |
| 218 | D | A | -1.9480 | |
| 219 | Y | A | -0.5199 | |
| 220 | M | A | 0.4275 | |
| 221 | C | A | -0.1176 | |
| 222 | P | A | -0.1824 | |
| 223 | A | A | -0.4729 | |
| 224 | T | A | -0.9703 | |
| 225 | N | A | -1.6287 | |
| 226 | Q | A | -1.6310 | |
| 227 | C | A | -1.2024 | |
| 228 | T | A | -0.8892 | |
| 229 | I | A | -1.8770 | |
| 230 | D | A | -2.7306 | |
| 231 | K | A | -3.4865 | |
| 232 | N | A | -3.6224 | |
| 233 | R | A | -3.6918 | |
| 234 | R | A | -3.0413 | |
| 235 | K | A | -3.1991 | |
| 236 | S | A | -2.0041 | |
| 237 | C | A | 0.0000 | |
| 238 | Q | A | -1.2313 | |
| 239 | A | A | -0.7948 | |
| 240 | C | A | 0.0000 | |
| 241 | R | A | -1.2911 | |
| 242 | L | A | -0.5629 | |
| 243 | R | A | -1.3753 | |
| 244 | K | A | -1.1659 | |
| 245 | C | A | 0.0000 | |
| 246 | Y | A | -0.2320 | |
| 247 | E | A | -1.6577 | |
| 248 | V | A | -0.3284 | |
| 249 | G | A | -0.1478 | |
| 250 | M | A | 0.0000 | |
| 251 | M | A | -0.0310 | |
| 252 | K | A | -1.4164 | |
| 253 | G | A | -0.8484 | |
| 254 | G | A | -0.3641 | |
| 255 | I | A | -0.0901 | |
| 256 | R | A | -2.6070 | |
| 257 | K | A | -3.7952 | |
| 258 | D | A | -4.4683 | |
| 259 | R | A | -4.4293 | |
| 260 | R | A | -3.9862 | |
| 261 | G | A | -2.7585 | |
| 262 | G | A | -2.0637 | |
| 263 | R | A | -1.7501 | |
| 264 | M | A | -0.0722 | |
| 265 | L | A | 0.2115 | |
| 266 | K | A | -2.1384 | |
| 267 | H | A | -2.7011 | |
| 268 | K | A | -3.6943 | |
| 269 | R | A | -4.3756 | |
| 270 | Q | A | -4.2124 | |
| 271 | R | A | -4.4241 | |
| 272 | D | A | -4.1896 | |
| 273 | D | A | -3.8263 | |
| 274 | G | A | -2.9424 | |
| 275 | E | A | -3.0543 | |
| 276 | G | A | -2.7966 | |
| 277 | R | A | -3.1041 | |
| 278 | G | A | -2.1035 | |
| 279 | E | A | -1.7756 | |
| 280 | V | A | 0.5340 | |
| 281 | G | A | -0.0783 | |
| 282 | S | A | -0.1268 | |
| 283 | A | A | -0.7585 | |
| 284 | G | A | -1.1156 | |
| 285 | D | A | -1.8289 | |
| 286 | M | A | -0.8672 | |
| 287 | R | A | -1.6573 | |
| 288 | A | A | -0.8247 | |
| 289 | A | A | -0.6090 | |
| 290 | N | A | -0.2161 | |
| 291 | L | A | 1.4256 | |
| 292 | W | A | 1.4245 | |
| 293 | P | A | 0.6098 | |
| 294 | S | A | 0.6334 | |
| 295 | P | A | 0.9853 | |
| 296 | L | A | 2.1966 | |
| 297 | M | A | 1.9444 | |
| 298 | I | A | 1.5118 | |
| 299 | K | A | -1.4178 | |
| 300 | R | A | -2.7390 | |
| 301 | S | A | -2.8326 | |
| 302 | K | A | -3.7524 | |
| 303 | K | A | -3.4015 | |
| 304 | N | A | -2.3175 | |
| 305 | E | A | -0.7233 | mutated: SE305A |
| 306 | L | A | 0.8008 | |
| 307 | A | A | 0.0000 | |
| 308 | L | A | -0.1843 | |
| 309 | S | A | 0.0824 | |
| 310 | L | A | -0.1718 | |
| 311 | T | A | -1.1877 | |
| 312 | A | A | -1.6525 | |
| 313 | D | A | -2.4296 | |
| 314 | Q | A | -1.7927 | |
| 315 | M | A | 0.0000 | |
| 316 | V | A | 0.0000 | |
| 317 | S | A | -1.2871 | |
| 318 | A | A | -1.2874 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | -0.4963 | |
| 321 | D | A | -1.8205 | |
| 322 | A | A | 0.0000 | |
| 323 | E | A | -1.0537 | |
| 324 | P | A | -0.2453 | |
| 325 | P | A | 0.6436 | |
| 326 | I | A | 2.0819 | |
| 327 | L | A | 1.2858 | |
| 328 | Y | A | 1.2682 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -1.6264 | |
| 331 | Y | A | -1.1446 | |
| 332 | D | A | -1.8730 | |
| 333 | P | A | -1.4404 | |
| 334 | T | A | -1.3242 | |
| 335 | R | A | -2.2172 | |
| 336 | P | A | -1.1928 | |
| 337 | F | A | -0.8239 | |
| 338 | S | A | -1.2998 | |
| 339 | E | A | -2.2670 | |
| 340 | A | A | -0.9198 | |
| 341 | S | A | -0.8647 | |
| 342 | M | A | 0.0000 | |
| 343 | M | A | 0.0000 | |
| 344 | G | A | -0.4605 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | -0.1201 | |
| 347 | T | A | 0.0000 | |
| 348 | N | A | 0.0000 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | 0.0253 | |
| 351 | D | A | -0.2199 | |
| 352 | R | A | -0.1197 | |
| 353 | E | A | 0.0183 | |
| 354 | L | A | 0.0000 | |
| 355 | V | A | 0.7699 | |
| 356 | H | A | -0.1351 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | -0.4539 | |
| 359 | N | A | -1.5926 | |
| 360 | W | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | K | A | -1.6378 | |
| 363 | R | A | -2.4342 | |
| 364 | V | A | 0.0000 | |
| 365 | P | A | 0.0000 | |
| 366 | G | A | 0.0000 | |
| 367 | F | A | 0.0000 | |
| 368 | V | A | 0.9092 | |
| 369 | D | A | 0.0845 | |
| 370 | L | A | 0.0000 | |
| 371 | T | A | -0.0083 | |
| 372 | L | A | 0.3992 | |
| 373 | H | A | -0.7076 | |
| 374 | D | A | -0.5177 | |
| 375 | Q | A | -0.1271 | |
| 376 | V | A | -0.1175 | |
| 377 | H | A | -0.4620 | |
| 378 | L | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | -0.6468 | |
| 381 | C | A | -0.2080 | |
| 382 | A | A | 0.0000 | |
| 383 | W | A | 0.0000 | |
| 384 | L | A | -0.1459 | |
| 385 | E | A | 0.0000 | |
| 386 | I | A | 0.0000 | |
| 387 | L | A | 0.2043 | |
| 388 | M | A | 0.0000 | |
| 389 | I | A | 0.0000 | |
| 390 | G | A | 0.0371 | |
| 391 | L | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | W | A | -0.3958 | |
| 394 | R | A | -0.4859 | |
| 395 | S | A | 0.0000 | |
| 396 | M | A | -1.6500 | |
| 397 | E | A | -2.2898 | |
| 398 | H | A | -1.5793 | |
| 399 | P | A | -1.4194 | |
| 400 | G | A | -1.5434 | |
| 401 | K | A | -1.7341 | |
| 402 | L | A | 0.0000 | |
| 403 | L | A | -0.1039 | |
| 404 | F | A | 0.4408 | |
| 405 | A | A | 0.0000 | |
| 406 | P | A | 0.5445 | |
| 407 | N | A | -0.2380 | |
| 408 | L | A | 0.0000 | |
| 409 | L | A | 0.2125 | |
| 410 | L | A | 0.0000 | |
| 411 | D | A | -2.0466 | |
| 412 | R | A | -2.8006 | |
| 413 | N | A | -2.6619 | |
| 414 | Q | A | -2.0816 | |
| 415 | G | A | 0.0000 | |
| 416 | K | A | -3.1853 | |
| 417 | C | A | -1.9906 | |
| 418 | V | A | 0.0000 | |
| 419 | E | A | -2.6689 | |
| 420 | G | A | -1.6947 | |
| 421 | M | A | 0.0000 | |
| 422 | V | A | -1.8963 | |
| 423 | E | A | -2.2806 | |
| 424 | I | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | D | A | -1.2492 | |
| 427 | M | A | -0.7136 | |
| 428 | L | A | 0.0000 | |
| 429 | L | A | -0.7511 | |
| 430 | A | A | -0.7343 | |
| 431 | T | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | S | A | -1.4702 | |
| 434 | R | A | -1.8859 | |
| 435 | F | A | 0.0000 | |
| 436 | R | A | -2.1762 | |
| 437 | M | A | -0.5140 | |
| 438 | M | A | -1.0571 | |
| 439 | N | A | -1.8292 | |
| 440 | L | A | 0.0000 | |
| 441 | Q | A | -1.6298 | |
| 442 | G | A | -0.8956 | |
| 443 | E | A | -1.0884 | |
| 444 | E | A | 0.0000 | |
| 445 | F | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | C | A | 0.0000 | |
| 448 | L | A | 0.0000 | |
| 449 | K | A | 0.0000 | |
| 450 | S | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | I | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | N | A | -0.4922 | |
| 456 | S | A | 0.0000 | |
| 457 | G | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | Y | A | 1.2713 | |
| 460 | T | A | 0.6156 | |
| 461 | F | A | 0.4830 | |
| 462 | L | A | 0.2080 | |
| 463 | S | A | -0.0528 | |
| 464 | S | A | -0.4124 | |
| 465 | T | A | -0.4689 | |
| 466 | L | A | -0.8438 | |
| 467 | K | A | -1.7649 | |
| 468 | S | A | -1.0555 | |
| 469 | L | A | -0.4294 | |
| 470 | E | A | -2.1641 | |
| 471 | E | A | -2.1235 | |
| 472 | K | A | -2.0193 | |
| 473 | D | A | -2.4586 | |
| 474 | H | A | 0.0000 | |
| 475 | I | A | 0.0000 | |
| 476 | H | A | -2.7227 | |
| 477 | R | A | -3.0297 | |
| 478 | V | A | 0.0000 | |
| 479 | L | A | -2.0458 | |
| 480 | D | A | -3.1005 | |
| 481 | K | A | -2.2507 | |
| 482 | I | A | 0.0000 | |
| 483 | T | A | -1.6729 | |
| 484 | D | A | -2.3788 | |
| 485 | T | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | I | A | -0.6838 | |
| 488 | H | A | -1.5954 | |
| 489 | L | A | -1.3326 | |
| 490 | M | A | 0.0000 | |
| 491 | A | A | -0.7222 | |
| 492 | K | A | -1.7893 | |
| 493 | A | A | -0.8745 | |
| 494 | G | A | -0.7940 | |
| 495 | L | A | -0.3892 | |
| 496 | T | A | -0.2291 | |
| 497 | L | A | 0.2719 | |
| 498 | Q | A | -1.5648 | |
| 499 | Q | A | -1.8271 | |
| 500 | Q | A | 0.0000 | |
| 501 | H | A | -1.8536 | |
| 502 | Q | A | -2.3184 | |
| 503 | R | A | -1.1606 | |
| 504 | L | A | -0.4950 | |
| 505 | A | A | -0.3589 | |
| 506 | Q | A | -0.2073 | |
| 507 | L | A | 0.0000 | |
| 508 | L | A | 1.1139 | |
| 509 | L | A | 1.5553 | |
| 510 | I | A | 0.0000 | |
| 511 | L | A | 0.0417 | |
| 512 | S | A | -0.3980 | |
| 513 | H | A | -0.8964 | |
| 514 | I | A | 0.0000 | |
| 515 | R | A | -2.1510 | |
| 516 | H | A | -2.1988 | |
| 517 | M | A | 0.0000 | |
| 518 | S | A | -1.8247 | |
| 519 | N | A | -2.7560 | |
| 520 | K | A | -2.5907 | |
| 521 | G | A | 0.0000 | |
| 522 | M | A | 0.0000 | |
| 523 | E | A | -2.6264 | |
| 524 | H | A | -1.5710 | |
| 525 | L | A | 0.0000 | |
| 526 | Y | A | -1.1289 | |
| 527 | S | A | -1.0014 | |
| 528 | M | A | 0.0000 | |
| 529 | K | A | -1.0407 | |
| 530 | C | A | -0.6053 | |
| 531 | K | A | -1.9740 | |
| 532 | N | A | -1.8506 | |
| 533 | V | A | -1.2203 | |
| 534 | V | A | -0.6609 | |
| 535 | P | A | -0.4316 | |
| 536 | L | A | -0.2956 | |
| 537 | Y | A | -0.2824 | |
| 538 | D | A | -1.5971 | |
| 539 | L | A | -0.7578 | |
| 540 | L | A | 0.0000 | |
| 541 | L | A | -0.9334 | |
| 542 | E | A | -2.0588 | |
| 543 | M | A | 0.0000 | |
| 544 | L | A | 0.0000 | |
| 545 | D | A | -1.4654 | |
| 546 | A | A | -0.9814 | |
| 547 | H | A | -1.4009 | |
| 548 | R | A | -1.5828 | |
| 549 | L | A | 0.3467 | |
| 550 | H | A | -0.2312 | |
| 551 | A | A | -0.3904 | |
| 552 | P | A | -0.5953 | |
| 553 | T | A | -0.9841 | |
| 554 | S | A | -1.3978 | |
| 555 | R | A | -2.3491 | |
| 556 | G | A | -1.6794 | |
| 557 | G | A | -1.0297 | |
| 558 | A | A | -0.3953 | |
| 559 | S | A | -0.2806 | |
| 560 | V | A | 0.2380 | |
| 561 | E | A | -2.1509 | |
| 562 | E | A | -2.9397 | |
| 563 | T | A | -2.4615 | |
| 564 | D | A | -3.3038 | |
| 565 | Q | A | -2.6334 | |
| 566 | S | A | -1.3650 | |
| 567 | H | A | -0.8013 | |
| 568 | L | A | 1.0329 | |
| 569 | A | A | 0.5783 | |
| 570 | T | A | 0.2227 | |
| 571 | A | A | -0.2332 | |
| 572 | G | A | -0.5678 | |
| 573 | S | A | -0.4954 | |
| 574 | T | A | -0.4166 | |
| 575 | S | A | -0.6027 | |
| 576 | S | A | -0.8586 | |
| 577 | H | A | -0.9192 | |
| 578 | S | A | -0.3321 | |
| 579 | L | A | 0.2453 | |
| 580 | Q | A | -0.9814 | |
| 581 | K | A | -0.9893 | |
| 582 | Y | A | 1.3055 | |
| 583 | Y | A | 2.5307 | |
| 584 | I | A | 2.8205 | |
| 585 | T | A | 0.5694 | |
| 586 | G | A | -1.0579 | |
| 587 | E | A | -2.4319 | |
| 588 | A | A | -2.0393 | |
| 589 | E | A | -1.9950 | |
| 590 | G | A | -0.4556 | |
| 591 | F | A | 1.2166 | |
| 592 | P | A | 0.6773 | |
| 593 | A | A | 0.7434 | |
| 594 | T | A | 0.8770 | |
| 595 | V | A | 1.7466 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.4422 | 5.8985 | View | CSV | PDB |
| 4.5 | -0.5028 | 5.8052 | View | CSV | PDB |
| 5.0 | -0.5755 | 5.6833 | View | CSV | PDB |
| 5.5 | -0.6448 | 5.5533 | View | CSV | PDB |
| 6.0 | -0.6967 | 5.4351 | View | CSV | PDB |
| 6.5 | -0.7241 | 5.3876 | View | CSV | PDB |
| 7.0 | -0.7287 | 5.3876 | View | CSV | PDB |
| 7.5 | -0.7176 | 5.3876 | View | CSV | PDB |
| 8.0 | -0.6975 | 5.3876 | View | CSV | PDB |
| 8.5 | -0.6705 | 5.3876 | View | CSV | PDB |
| 9.0 | -0.6358 | 5.3876 | 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