| Chain sequence(s) |
A: MAYTSLLSFSVCLLVLFHGCCAQIDLVTNHHQDPPWGQPQQPQPRHQSQCQLQNLNALQPKHRFRSEAGETEFWDQNEDQFQCAGVAFLRHKIQRKGLLLPSFTSAPMLFYVEQGEGIHGAVFPGCPETYQSQSQQNIQDRPQRDQHQKLRRLKEGDVVALPAGVAHWIFNNGRSQLVLVALVDVGNDANQLDENFRKFFLAGSPQGGVVRGGQSRDRNQRQSRTQRGEREEEESQESGGNNVLSGFRDNLLAQAFGIDTRLARKLQNERDNRGAIVRMEHGFEWPEEGQRRQGREEEGEEEREPKWQRRQESQEEGSEEEEREERGRGRRRSGNGLEETFCSMRLKHRTPASSADVFNPRGGRITTVNSFNLPILQYLQLSAERGVLYNNAIYAPHWNMNAHSIVYITRGNGRIQIVSENGEAIFDEQVERGQVITVPQNHAVVKKAGRRGFEWIAFKTNANAKISQIAGRVSIMRGLPVDVLANSFGISREEAMRLKHNRQEVSVFSPRQGSQQ
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 5 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | Used: no changes made |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB: Running AlphaCutter (00:00:01)
[INFO] PDB: AlphaCutter did not cut any residues. The original structure will be used
for analysis. (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:49)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/44d88b7377d0f45/tmp/folded.pdb (00:09:49)
[INFO] Main: Simulation completed successfully. (00:15:21)
|
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 | 1.0638 | |
| 2 | A | A | 0.4789 | |
| 3 | Y | A | 1.3130 | |
| 4 | T | A | 0.1256 | |
| 5 | S | A | 0.0517 | |
| 6 | L | A | 1.7027 | |
| 7 | L | A | 1.3146 | |
| 8 | S | A | 0.3287 | |
| 9 | F | A | 1.8730 | |
| 10 | S | A | 0.4980 | |
| 11 | V | A | 1.8051 | |
| 12 | C | A | 0.7391 | |
| 13 | L | A | 0.7555 | |
| 14 | L | A | 1.9377 | |
| 15 | V | A | 2.3244 | |
| 16 | L | A | 2.1759 | |
| 17 | F | A | 2.0937 | |
| 18 | H | A | -0.7020 | |
| 19 | G | A | -0.2545 | |
| 20 | C | A | 0.7489 | |
| 21 | C | A | 0.5976 | |
| 22 | A | A | -0.0849 | |
| 23 | Q | A | -0.8329 | |
| 24 | I | A | 1.4813 | |
| 25 | D | A | -1.1570 | |
| 26 | L | A | 1.5427 | |
| 27 | V | A | 2.0333 | |
| 28 | T | A | 0.0191 | |
| 29 | N | A | -1.4636 | |
| 30 | H | A | -1.4117 | |
| 31 | H | A | -1.4104 | |
| 32 | Q | A | -1.7171 | |
| 33 | D | A | -2.0569 | |
| 34 | P | A | -0.6248 | |
| 35 | P | A | -0.0904 | |
| 36 | W | A | 1.0828 | |
| 37 | G | A | -0.3331 | |
| 38 | Q | A | -1.3032 | |
| 39 | P | A | -0.6923 | |
| 40 | Q | A | -1.4654 | |
| 41 | Q | A | -1.4650 | |
| 42 | P | A | -0.6917 | |
| 43 | Q | A | -1.2906 | |
| 44 | P | A | -0.7999 | |
| 45 | R | A | -2.0236 | |
| 46 | H | A | -1.5331 | |
| 47 | Q | A | -1.4142 | |
| 48 | S | A | -0.4769 | |
| 49 | Q | A | -0.2728 | |
| 50 | C | A | 0.0789 | |
| 51 | Q | A | -1.1367 | |
| 52 | L | A | 0.0000 | |
| 53 | Q | A | -1.4284 | |
| 54 | N | A | -1.4896 | |
| 55 | L | A | 0.0000 | |
| 56 | N | A | -1.2712 | |
| 57 | A | A | -0.1965 | |
| 58 | L | A | -0.0657 | |
| 59 | Q | A | -1.1795 | |
| 60 | P | A | -0.5679 | |
| 61 | K | A | -1.7721 | |
| 62 | H | A | -0.9913 | |
| 63 | R | A | -1.8603 | |
| 64 | F | A | -0.4144 | |
| 65 | R | A | -1.7975 | |
| 66 | S | A | 0.0000 | |
| 67 | E | A | -1.2484 | |
| 68 | A | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | E | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | E | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | D | A | -0.3360 | |
| 76 | Q | A | 0.0000 | |
| 77 | N | A | -0.6346 | |
| 78 | E | A | -1.3032 | |
| 79 | D | A | -1.9506 | |
| 80 | Q | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | Q | A | -0.4815 | |
| 83 | C | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | G | A | -0.0851 | |
| 86 | V | A | 0.0000 | |
| 87 | A | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | R | A | -0.2189 | |
| 91 | H | A | 0.0000 | |
| 92 | K | A | -0.2937 | |
| 93 | I | A | 0.0000 | |
| 94 | Q | A | -1.1685 | |
| 95 | R | A | -1.7296 | |
| 96 | K | A | -0.9747 | |
| 97 | G | A | 0.0000 | |
| 98 | L | A | 0.2160 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | 0.0000 | |
| 101 | P | A | -0.0348 | |
| 102 | S | A | 0.0000 | |
| 103 | F | A | 0.4014 | |
| 104 | T | A | 0.0000 | |
| 105 | S | A | -0.0241 | |
| 106 | A | A | 0.0000 | |
| 107 | P | A | 0.0000 | |
| 108 | M | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | F | A | 0.0000 | |
| 111 | Y | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | E | A | 0.0000 | |
| 114 | Q | A | -1.1611 | |
| 115 | G | A | -0.4537 | |
| 116 | E | A | -1.1482 | |
| 117 | G | A | 0.0000 | |
| 118 | I | A | 0.0000 | |
| 119 | H | A | 0.0000 | |
| 120 | G | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | V | A | 1.1034 | |
| 123 | F | A | 0.0000 | |
| 124 | P | A | -0.3389 | |
| 125 | G | A | -0.5122 | |
| 126 | C | A | 0.0000 | |
| 127 | P | A | -0.3783 | |
| 128 | E | A | -1.3794 | |
| 129 | T | A | -0.2481 | |
| 130 | Y | A | -0.0818 | |
| 131 | Q | A | -1.3472 | |
| 132 | S | A | -0.5597 | |
| 133 | Q | A | -1.2387 | |
| 134 | S | A | -0.5391 | |
| 135 | Q | A | -1.4329 | |
| 136 | Q | A | -1.6399 | |
| 137 | N | A | -1.1215 | |
| 138 | I | A | 1.5702 | |
| 139 | Q | A | -1.1657 | |
| 140 | D | A | -2.3399 | |
| 141 | R | A | -2.2148 | |
| 142 | P | A | -0.8152 | |
| 143 | Q | A | -1.5765 | |
| 144 | R | A | -2.3871 | |
| 145 | D | A | -2.3449 | |
| 146 | Q | A | -1.7214 | |
| 147 | H | A | -0.6721 | |
| 148 | Q | A | -0.5020 | |
| 149 | K | A | -0.7140 | |
| 150 | L | A | 0.0000 | |
| 151 | R | A | -0.4910 | |
| 152 | R | A | -1.6546 | |
| 153 | L | A | 0.0000 | |
| 154 | K | A | -1.3084 | |
| 155 | E | A | -1.8340 | |
| 156 | G | A | -0.3310 | |
| 157 | D | A | 0.0000 | |
| 158 | V | A | 0.0000 | |
| 159 | V | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | A | A | -0.0723 | |
| 164 | G | A | -0.4643 | |
| 165 | V | A | 0.0000 | |
| 166 | A | A | 0.0623 | |
| 167 | H | A | 0.0000 | |
| 168 | W | A | 0.1689 | |
| 169 | I | A | 0.0000 | |
| 170 | F | A | 0.0000 | |
| 171 | N | A | 0.0000 | |
| 172 | N | A | -1.2451 | |
| 173 | G | A | -0.6178 | |
| 174 | R | A | -1.8937 | |
| 175 | S | A | -0.6035 | |
| 176 | Q | A | -0.4697 | |
| 177 | L | A | 0.0000 | |
| 178 | V | A | 0.1429 | |
| 179 | L | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | L | A | 0.0000 | |
| 183 | V | A | 0.0000 | |
| 184 | D | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | G | A | -0.1414 | |
| 187 | N | A | -0.4914 | |
| 188 | D | A | -1.8145 | |
| 189 | A | A | -0.3313 | |
| 190 | N | A | -0.3426 | |
| 191 | Q | A | -0.9438 | |
| 192 | L | A | 1.1791 | |
| 193 | D | A | -0.8874 | |
| 194 | E | A | -2.0678 | |
| 195 | N | A | -0.8633 | |
| 196 | F | A | 0.0000 | |
| 197 | R | A | -0.4310 | |
| 198 | K | A | 0.0000 | |
| 199 | F | A | 0.5735 | |
| 200 | F | A | 0.0000 | |
| 201 | L | A | 0.4549 | |
| 202 | A | A | 0.0938 | |
| 203 | G | A | 0.0000 | |
| 204 | S | A | -0.0652 | |
| 205 | P | A | 0.0000 | |
| 206 | Q | A | -0.5416 | |
| 207 | G | A | -0.1901 | |
| 208 | G | A | -0.0745 | |
| 209 | V | A | 0.0000 | |
| 210 | V | A | 0.2726 | |
| 211 | R | A | -0.4105 | |
| 212 | G | A | 0.0000 | |
| 213 | G | A | -0.1162 | |
| 214 | Q | A | -0.3873 | |
| 215 | S | A | -0.6204 | |
| 216 | R | A | -2.2109 | |
| 217 | D | A | -2.4985 | |
| 218 | R | A | -2.4324 | |
| 219 | N | A | -1.8133 | |
| 220 | Q | A | -1.7503 | |
| 221 | R | A | -2.2731 | |
| 222 | Q | A | -1.5687 | |
| 223 | S | A | -0.6625 | |
| 224 | R | A | -1.3744 | |
| 225 | T | A | -0.5017 | |
| 226 | Q | A | -1.5343 | |
| 227 | R | A | -2.0739 | |
| 228 | G | A | -0.6282 | |
| 229 | E | A | -1.4831 | |
| 230 | R | A | -2.3736 | |
| 231 | E | A | -2.4289 | |
| 232 | E | A | -2.2127 | |
| 233 | E | A | -2.3965 | |
| 234 | E | A | -2.0349 | |
| 235 | S | A | -0.5906 | |
| 236 | Q | A | -0.8108 | |
| 237 | E | A | -1.9377 | |
| 238 | S | A | -0.5918 | |
| 239 | G | A | -0.3637 | |
| 240 | G | A | -0.4806 | |
| 241 | N | A | -0.3255 | |
| 242 | N | A | 0.0000 | |
| 243 | V | A | 0.4635 | |
| 244 | L | A | 0.2688 | |
| 245 | S | A | -0.0957 | |
| 246 | G | A | -0.2495 | |
| 247 | F | A | 0.8406 | |
| 248 | R | A | -1.6805 | |
| 249 | D | A | -0.9247 | |
| 250 | N | A | -1.0735 | |
| 251 | L | A | 1.2486 | |
| 252 | L | A | 0.0000 | |
| 253 | A | A | 0.0000 | |
| 254 | Q | A | -1.1878 | |
| 255 | A | A | 0.1221 | |
| 256 | F | A | 1.4869 | |
| 257 | G | A | -0.0990 | |
| 258 | I | A | 0.2442 | |
| 259 | D | A | -0.8658 | |
| 260 | T | A | -0.5265 | |
| 261 | R | A | -1.7415 | |
| 262 | L | A | 0.0894 | |
| 263 | A | A | 0.0000 | |
| 264 | R | A | -2.1217 | |
| 265 | K | A | -1.9011 | |
| 266 | L | A | 0.0652 | |
| 267 | Q | A | 0.0000 | |
| 268 | N | A | -0.5144 | |
| 269 | E | A | -2.1120 | |
| 270 | R | A | -2.1911 | |
| 271 | D | A | -0.7721 | |
| 272 | N | A | -1.4661 | |
| 273 | R | A | -1.2224 | |
| 274 | G | A | 0.0000 | |
| 275 | A | A | 0.0000 | |
| 276 | I | A | 0.0000 | |
| 277 | V | A | 0.0000 | |
| 278 | R | A | -0.7602 | |
| 279 | M | A | -0.3394 | |
| 280 | E | A | -1.9758 | |
| 281 | H | A | -1.4057 | |
| 282 | G | A | -0.5733 | |
| 283 | F | A | -0.0174 | |
| 284 | E | A | -1.7476 | |
| 285 | W | A | 0.0000 | |
| 286 | P | A | -0.2338 | |
| 287 | E | A | -1.2282 | |
| 288 | E | A | -1.8577 | |
| 289 | G | A | -0.8080 | |
| 290 | Q | A | -1.5818 | |
| 291 | R | A | -2.3926 | |
| 292 | R | A | -2.3321 | |
| 293 | Q | A | -1.2139 | |
| 294 | G | A | -0.6344 | |
| 295 | R | A | -2.1991 | |
| 296 | E | A | -2.4756 | |
| 297 | E | A | -2.4668 | |
| 298 | E | A | -2.2262 | |
| 299 | G | A | -1.1146 | |
| 300 | E | A | -2.2250 | |
| 301 | E | A | -2.4610 | |
| 302 | E | A | -2.4625 | |
| 303 | R | A | -2.4864 | |
| 304 | E | A | -2.1929 | |
| 305 | P | A | -0.8811 | |
| 306 | K | A | -1.5341 | |
| 307 | W | A | 0.6709 | |
| 308 | Q | A | -1.3139 | |
| 309 | R | A | -2.3851 | |
| 310 | R | A | -2.3872 | |
| 311 | Q | A | -1.8508 | |
| 312 | E | A | -2.0696 | |
| 313 | S | A | -0.7161 | |
| 314 | Q | A | -1.3711 | |
| 315 | E | A | -2.3213 | |
| 316 | E | A | -2.2082 | |
| 317 | G | A | -0.7214 | |
| 318 | S | A | -0.5260 | |
| 319 | E | A | -2.1679 | |
| 320 | E | A | -2.4684 | |
| 321 | E | A | -2.4295 | |
| 322 | E | A | -2.2505 | |
| 323 | R | A | -2.4428 | |
| 324 | E | A | -2.4030 | |
| 325 | E | A | -2.4601 | |
| 326 | R | A | -2.2514 | |
| 327 | G | A | -1.1268 | |
| 328 | R | A | -2.0142 | |
| 329 | G | A | -1.1419 | |
| 330 | R | A | -2.2782 | |
| 331 | R | A | -2.5406 | |
| 332 | R | A | -2.2312 | |
| 333 | S | A | -0.6447 | |
| 334 | G | A | -0.7404 | |
| 335 | N | A | -1.3836 | |
| 336 | G | A | -0.1246 | |
| 337 | L | A | 1.1633 | |
| 338 | E | A | -0.9582 | |
| 339 | E | A | -1.9878 | |
| 340 | T | A | -0.2364 | |
| 341 | F | A | 0.8231 | |
| 342 | C | A | 0.0000 | |
| 343 | S | A | -0.0737 | |
| 344 | M | A | -0.1508 | |
| 345 | R | A | -1.7595 | |
| 346 | L | A | 0.0000 | |
| 347 | K | A | -0.2779 | |
| 348 | H | A | -0.4447 | |
| 349 | R | A | -1.5430 | |
| 350 | T | A | 0.0000 | |
| 351 | P | A | -0.1230 | |
| 352 | A | A | -0.0036 | |
| 353 | S | A | -0.2144 | |
| 354 | S | A | -0.1027 | |
| 355 | A | A | -0.3205 | |
| 356 | D | A | -1.7243 | |
| 357 | V | A | 0.3770 | |
| 358 | F | A | 1.9180 | |
| 359 | N | A | 0.1609 | |
| 360 | P | A | -0.6088 | |
| 361 | R | A | -1.8893 | |
| 362 | G | A | 0.0000 | |
| 363 | G | A | 0.0000 | |
| 364 | R | A | -0.1908 | |
| 365 | I | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | T | A | -0.0165 | |
| 368 | V | A | 0.0000 | |
| 369 | N | A | -0.1706 | |
| 370 | S | A | 0.1365 | |
| 371 | F | A | 1.8717 | |
| 372 | N | A | -0.0124 | |
| 373 | L | A | 0.0000 | |
| 374 | P | A | -0.2584 | |
| 375 | I | A | 0.0000 | |
| 376 | L | A | 0.0000 | |
| 377 | Q | A | -0.9623 | |
| 378 | Y | A | 1.0979 | |
| 379 | L | A | 0.0000 | |
| 380 | Q | A | -0.6991 | |
| 381 | L | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | A | A | 0.0000 | |
| 384 | E | A | 0.0000 | |
| 385 | R | A | -0.2739 | |
| 386 | G | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | L | A | 0.0000 | |
| 389 | Y | A | 0.1432 | |
| 390 | N | A | -1.2127 | |
| 391 | N | A | -0.5250 | |
| 392 | A | A | 0.0000 | |
| 393 | I | A | 0.3541 | |
| 394 | Y | A | 0.0000 | |
| 395 | A | A | 0.0000 | |
| 396 | P | A | -0.0023 | |
| 397 | H | A | 0.0000 | |
| 398 | W | A | 0.2746 | |
| 399 | N | A | 0.0000 | |
| 400 | M | A | 0.5035 | |
| 401 | N | A | -0.1539 | |
| 402 | A | A | 0.0000 | |
| 403 | H | A | -0.2178 | |
| 404 | S | A | 0.0000 | |
| 405 | I | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | I | A | 0.0000 | |
| 409 | T | A | 0.0000 | |
| 410 | R | A | -1.4300 | |
| 411 | G | A | -0.3482 | |
| 412 | N | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | R | A | -2.0171 | |
| 415 | I | A | 0.0000 | |
| 416 | Q | A | -0.4940 | |
| 417 | I | A | 0.0000 | |
| 418 | V | A | 0.3860 | |
| 419 | S | A | -0.2810 | |
| 420 | E | A | -2.0514 | |
| 421 | N | A | -1.6821 | |
| 422 | G | A | -1.0214 | |
| 423 | E | A | -1.8952 | |
| 424 | A | A | -0.2322 | |
| 425 | I | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | D | A | -1.1045 | |
| 428 | E | A | -2.1712 | |
| 429 | Q | A | -1.8000 | |
| 430 | V | A | 0.0000 | |
| 431 | E | A | -2.1550 | |
| 432 | R | A | -2.1842 | |
| 433 | G | A | -0.4221 | |
| 434 | Q | A | -0.1882 | |
| 435 | V | A | 0.0000 | |
| 436 | I | A | 0.0000 | |
| 437 | T | A | 0.0000 | |
| 438 | V | A | 0.0000 | |
| 439 | P | A | 0.0000 | |
| 440 | Q | A | -0.8922 | |
| 441 | N | A | -1.3886 | |
| 442 | H | A | 0.0000 | |
| 443 | A | A | 0.0470 | |
| 444 | V | A | 0.0000 | |
| 445 | V | A | 0.4255 | |
| 446 | K | A | 0.0000 | |
| 447 | K | A | -0.6901 | |
| 448 | A | A | 0.0000 | |
| 449 | G | A | -0.4061 | |
| 450 | R | A | -2.2972 | |
| 451 | R | A | -2.1729 | |
| 452 | G | A | 0.0000 | |
| 453 | F | A | 0.0000 | |
| 454 | E | A | 0.0000 | |
| 455 | W | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | A | A | 0.0000 | |
| 458 | F | A | 0.0000 | |
| 459 | K | A | 0.0000 | |
| 460 | T | A | -0.0493 | |
| 461 | N | A | -0.3023 | |
| 462 | A | A | 0.0000 | |
| 463 | N | A | -0.2568 | |
| 464 | A | A | -0.3433 | |
| 465 | K | A | -1.6041 | |
| 466 | I | A | 0.1862 | |
| 467 | S | A | 0.0310 | |
| 468 | Q | A | 0.0000 | |
| 469 | I | A | 0.3416 | |
| 470 | A | A | 0.0762 | |
| 471 | G | A | 0.0000 | |
| 472 | R | A | -1.5531 | |
| 473 | V | A | 1.3820 | |
| 474 | S | A | 0.0000 | |
| 475 | I | A | 0.7418 | |
| 476 | M | A | 0.2169 | |
| 477 | R | A | -0.4017 | |
| 478 | G | A | -0.3341 | |
| 479 | L | A | 0.4869 | |
| 480 | P | A | -0.0955 | |
| 481 | V | A | 0.0065 | |
| 482 | D | A | -1.0060 | |
| 483 | V | A | 0.8461 | |
| 484 | L | A | 0.0000 | |
| 485 | A | A | -0.2911 | |
| 486 | N | A | -1.3099 | |
| 487 | S | A | -0.1778 | |
| 488 | F | A | 1.3358 | |
| 489 | G | A | -0.1058 | |
| 490 | I | A | 0.4650 | |
| 491 | S | A | -0.2321 | |
| 492 | R | A | -1.7513 | |
| 493 | E | A | -2.2810 | |
| 494 | E | A | -2.0208 | |
| 495 | A | A | 0.0000 | |
| 496 | M | A | 0.0473 | |
| 497 | R | A | -1.8187 | |
| 498 | L | A | 0.3066 | |
| 499 | K | A | -0.2049 | |
| 500 | H | A | -0.9739 | |
| 501 | N | A | -1.1297 | |
| 502 | R | A | -0.6026 | |
| 503 | Q | A | -1.3806 | |
| 504 | E | A | -0.4271 | |
| 505 | V | A | 0.4614 | |
| 506 | S | A | 0.0000 | |
| 507 | V | A | 0.0000 | |
| 508 | F | A | 0.0000 | |
| 509 | S | A | -0.0572 | |
| 510 | P | A | -0.3747 | |
| 511 | R | A | -1.7131 | |
| 512 | Q | A | -1.5535 | |
| 513 | G | A | -0.7186 | |
| 514 | S | A | -0.5109 | |
| 515 | Q | A | -1.4578 | |
| 516 | Q | A | -1.4195 |
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 | -0.4966 | 4.1396 | View | CSV | PDB |
| 4.5 | -0.5321 | 4.1469 | View | CSV | PDB |
| 5.0 | -0.5786 | 4.1657 | View | CSV | PDB |
| 5.5 | -0.6287 | 4.2022 | View | CSV | PDB |
| 6.0 | -0.6747 | 4.2492 | View | CSV | PDB |
| 6.5 | -0.7104 | 4.2874 | View | CSV | PDB |
| 7.0 | -0.7328 | 4.3078 | View | CSV | PDB |
| 7.5 | -0.7446 | 4.3159 | View | CSV | PDB |
| 8.0 | -0.7502 | 4.3187 | View | CSV | PDB |
| 8.5 | -0.7519 | 4.3196 | View | CSV | PDB |
| 9.0 | -0.7503 | 4.3199 | 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