| Chain sequence(s) |
A: MAIFTKPKLLFIFFLILSLVLVSQCYDQNPRGYQDPQEKLRECQQRCERQQPGQQKQLCKQRCEQQYRKEQQQQHGGETGEDDLGNRGPDKSYKRLQECQRRCQSEQQGQRLQECQQRCQQEYQREKGQHQGETNPQWEQQEKSNNPYLFESQRFRSRFRASHGDFRILERFNQRSQLLKGIEKYRVAILELEPQSFVLPHHCDGEAIYVVVKGQGVINIAEQDNKNSFNLQKGDVIRLFAGSNVYLLNKDNNEKLFVYVLAKSVNAPGNLQEYFSAGGQNPESFYRAFSSDILESAFNNPRDKLERLFGQHKEGIIIKASEEQIRAISEHASRSTQQTRGRTQGPFNLMKERPVFESRFGQFFEARPERYEQLRDLDAAVGFMNINQGGMVLPYYNTKSTKLVMVIEGNARFEMACPHLGRQSQSPWSRGQGREQEREQEQEQEEGDVHYQKIRGNLNVGDVLVIPAGHPITFVATGNSNLRIVGFGVDAENNKKNFLAGKQNIWRNIDREAKELSFSMPGREVEEIFQRQDQSYFVAGPEHRQQRERGEEGRRGQDQYLSSILDFVF
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 |
| 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:46)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e725d23d4b7dbf6/tmp/folded.pdb (00:10:46)
[INFO] Main: Simulation completed successfully. (00:13:19)
|
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 | 1.5136 | |
| 2 | A | A | 2.0587 | |
| 3 | I | A | 3.1971 | |
| 4 | F | A | 2.5357 | |
| 5 | T | A | 0.2159 | |
| 6 | K | A | -1.4080 | |
| 7 | P | A | -0.5188 | |
| 8 | K | A | -0.2327 | |
| 9 | L | A | 2.4814 | |
| 10 | L | A | 3.8739 | |
| 11 | F | A | 4.5311 | |
| 12 | I | A | 4.3064 | |
| 13 | F | A | 5.0179 | |
| 14 | F | A | 5.4126 | |
| 15 | L | A | 4.4897 | |
| 16 | I | A | 5.0755 | |
| 17 | L | A | 4.3020 | |
| 18 | S | A | 3.6489 | |
| 19 | L | A | 4.1734 | |
| 20 | V | A | 3.6570 | |
| 21 | L | A | 3.3825 | |
| 22 | V | A | 3.4468 | |
| 23 | S | A | 1.6140 | |
| 24 | Q | A | 0.4638 | |
| 25 | C | A | 0.8963 | |
| 26 | Y | A | 0.1352 | |
| 27 | D | A | -2.1680 | |
| 28 | Q | A | -2.5560 | |
| 29 | N | A | -2.6982 | |
| 30 | P | A | -2.2161 | |
| 31 | R | A | -2.4533 | |
| 32 | G | A | -1.5030 | |
| 33 | Y | A | -0.4542 | |
| 34 | Q | A | -2.1347 | |
| 35 | D | A | -2.4044 | |
| 36 | P | A | 0.0000 | |
| 37 | Q | A | -3.2023 | |
| 38 | E | A | -4.3529 | |
| 39 | K | A | -3.9622 | |
| 40 | L | A | -3.4546 | |
| 41 | R | A | -4.2733 | |
| 42 | E | A | -4.2309 | |
| 43 | C | A | -3.2996 | |
| 44 | Q | A | -3.8785 | |
| 45 | Q | A | -4.0496 | |
| 46 | R | A | -4.4289 | |
| 47 | C | A | 0.0000 | |
| 48 | E | A | -4.1260 | |
| 49 | R | A | -4.1226 | |
| 50 | Q | A | -3.5004 | |
| 51 | Q | A | -2.9796 | |
| 52 | P | A | -2.2052 | |
| 53 | G | A | -1.8873 | |
| 54 | Q | A | -2.2004 | |
| 55 | Q | A | -2.1524 | |
| 56 | K | A | -3.2366 | |
| 57 | Q | A | -2.5709 | |
| 58 | L | A | -1.3648 | |
| 59 | C | A | -2.1383 | |
| 60 | K | A | -2.8811 | |
| 61 | Q | A | -2.6082 | |
| 62 | R | A | -3.2437 | |
| 63 | C | A | 0.0000 | |
| 64 | E | A | -3.1093 | |
| 65 | Q | A | -3.6769 | |
| 66 | Q | A | -3.7756 | |
| 67 | Y | A | -3.4501 | |
| 68 | R | A | -4.4635 | |
| 69 | K | A | -4.6450 | |
| 70 | E | A | -3.9420 | |
| 71 | Q | A | -3.8176 | |
| 72 | Q | A | -4.1804 | |
| 73 | Q | A | -3.7931 | |
| 74 | Q | A | -3.2448 | |
| 75 | H | A | -3.1980 | |
| 76 | G | A | -2.7182 | |
| 77 | G | A | -2.3927 | |
| 78 | E | A | -2.6692 | |
| 79 | T | A | -2.0316 | |
| 80 | G | A | -2.5591 | |
| 81 | E | A | -3.4526 | |
| 82 | D | A | -3.2746 | |
| 83 | D | A | -3.1092 | |
| 84 | L | A | -0.9068 | |
| 85 | G | A | -1.6401 | |
| 86 | N | A | -2.5058 | |
| 87 | R | A | -3.0261 | |
| 88 | G | A | -2.2829 | |
| 89 | P | A | -2.3061 | |
| 90 | D | A | -2.7295 | |
| 91 | K | A | -2.9550 | |
| 92 | S | A | -2.9231 | |
| 93 | Y | A | -1.7894 | |
| 94 | K | A | -2.9769 | |
| 95 | R | A | -3.6556 | |
| 96 | L | A | 0.0000 | |
| 97 | Q | A | -2.7646 | |
| 98 | E | A | -3.5907 | |
| 99 | C | A | -3.0811 | |
| 100 | Q | A | -3.3174 | |
| 101 | R | A | -4.2887 | |
| 102 | R | A | -4.0939 | |
| 103 | C | A | 0.0000 | |
| 104 | Q | A | -3.6324 | |
| 105 | S | A | -3.0116 | |
| 106 | E | A | -3.5179 | |
| 107 | Q | A | -3.3099 | |
| 108 | Q | A | -3.0151 | |
| 109 | G | A | -2.5621 | |
| 110 | Q | A | -3.2190 | |
| 111 | R | A | -3.9794 | |
| 112 | L | A | -3.7821 | |
| 113 | Q | A | -3.7490 | |
| 114 | E | A | -3.8114 | |
| 115 | C | A | -3.3367 | |
| 116 | Q | A | -3.2831 | |
| 117 | Q | A | -3.8101 | |
| 118 | R | A | -4.0244 | |
| 119 | C | A | 0.0000 | |
| 120 | Q | A | -3.4889 | |
| 121 | Q | A | -4.2415 | |
| 122 | E | A | -4.8860 | |
| 123 | Y | A | -3.8224 | |
| 124 | Q | A | -4.4834 | |
| 125 | R | A | -5.1107 | |
| 126 | E | A | -4.9953 | |
| 127 | K | A | -4.3688 | |
| 128 | G | A | -4.0157 | |
| 129 | Q | A | -4.2599 | |
| 130 | H | A | -4.0875 | |
| 131 | Q | A | -3.3588 | |
| 132 | G | A | -2.9238 | |
| 133 | E | A | -3.3053 | |
| 134 | T | A | -2.4961 | |
| 135 | N | A | -2.6608 | |
| 136 | P | A | -2.3913 | |
| 137 | Q | A | -2.4767 | |
| 138 | W | A | -1.8835 | |
| 139 | E | A | -3.5019 | |
| 140 | Q | A | -3.3778 | |
| 141 | Q | A | -3.0159 | |
| 142 | E | A | -2.6930 | |
| 143 | K | A | -2.7803 | |
| 144 | S | A | -2.1010 | |
| 145 | N | A | -2.4486 | |
| 146 | N | A | 0.0000 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | F | A | 0.0000 | |
| 151 | E | A | 0.0000 | |
| 152 | S | A | -1.0468 | |
| 153 | Q | A | -1.7744 | |
| 154 | R | A | -1.4692 | |
| 155 | F | A | 0.0000 | |
| 156 | R | A | -2.6699 | |
| 157 | S | A | -1.9301 | |
| 158 | R | A | -1.6930 | |
| 159 | F | A | -1.3016 | |
| 160 | R | A | -2.2253 | |
| 161 | A | A | -1.3125 | |
| 162 | S | A | -1.3086 | |
| 163 | H | A | -1.4682 | |
| 164 | G | A | -1.0759 | |
| 165 | D | A | 0.0000 | |
| 166 | F | A | -0.9242 | |
| 167 | R | A | -1.6541 | |
| 168 | I | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | E | A | 0.0000 | |
| 171 | R | A | -1.6895 | |
| 172 | F | A | 0.0000 | |
| 173 | N | A | -2.4996 | |
| 174 | Q | A | -2.4822 | |
| 175 | R | A | -2.3409 | |
| 176 | S | A | -1.8049 | |
| 177 | Q | A | -2.2250 | |
| 178 | L | A | -1.1467 | |
| 179 | L | A | 0.0000 | |
| 180 | K | A | -2.8630 | |
| 181 | G | A | -1.8034 | |
| 182 | I | A | 0.0000 | |
| 183 | E | A | -2.0557 | |
| 184 | K | A | -1.6033 | |
| 185 | Y | A | 0.0000 | |
| 186 | R | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | I | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | E | A | -0.4932 | |
| 192 | L | A | 0.0000 | |
| 193 | E | A | -2.2381 | |
| 194 | P | A | -2.5980 | |
| 195 | Q | A | -2.4253 | |
| 196 | S | A | 0.0000 | |
| 197 | F | A | -0.5268 | |
| 198 | V | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | P | A | 0.0256 | |
| 201 | H | A | 0.0000 | |
| 202 | H | A | -0.3387 | |
| 203 | C | A | -0.1237 | |
| 204 | D | A | -0.3692 | |
| 205 | G | A | 0.0000 | |
| 206 | E | A | -0.2248 | |
| 207 | A | A | 0.0000 | |
| 208 | I | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | V | A | 0.0000 | |
| 211 | V | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | K | A | -1.5471 | |
| 214 | G | A | -2.0525 | |
| 215 | Q | A | -1.8651 | |
| 216 | G | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | I | A | 0.0000 | |
| 219 | N | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | A | A | -1.7132 | |
| 222 | E | A | -2.6576 | |
| 223 | Q | A | -2.7179 | |
| 224 | D | A | -3.2938 | |
| 225 | N | A | -3.1480 | |
| 226 | K | A | -2.8162 | |
| 227 | N | A | -1.9529 | |
| 228 | S | A | -1.2300 | |
| 229 | F | A | -0.7258 | |
| 230 | N | A | -0.8907 | |
| 231 | L | A | 0.0000 | |
| 232 | Q | A | -1.8354 | |
| 233 | K | A | -2.1900 | |
| 234 | G | A | 0.0000 | |
| 235 | D | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | R | A | 0.0000 | |
| 239 | L | A | 0.0000 | |
| 240 | F | A | -0.2607 | |
| 241 | A | A | 0.0116 | |
| 242 | G | A | -0.5516 | |
| 243 | S | A | 0.0000 | |
| 244 | N | A | -0.7843 | |
| 245 | V | A | 0.0000 | |
| 246 | Y | A | 0.0790 | |
| 247 | L | A | 0.0000 | |
| 248 | L | A | 0.0000 | |
| 249 | N | A | 0.0000 | |
| 250 | K | A | -2.3382 | |
| 251 | D | A | -2.5804 | |
| 252 | N | A | -2.9887 | |
| 253 | N | A | -3.0203 | |
| 254 | E | A | -3.0945 | |
| 255 | K | A | -2.3825 | |
| 256 | L | A | 0.0000 | |
| 257 | F | A | -0.6276 | |
| 258 | V | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | V | A | 0.0000 | |
| 261 | L | A | 0.0000 | |
| 262 | A | A | 0.0000 | |
| 263 | K | A | -0.6989 | |
| 264 | S | A | 0.0000 | |
| 265 | V | A | 0.7318 | |
| 266 | N | A | -0.8101 | |
| 267 | A | A | -0.5885 | |
| 268 | P | A | -0.9956 | |
| 269 | G | A | 0.0000 | |
| 270 | N | A | -1.1038 | |
| 271 | L | A | 0.0000 | |
| 272 | Q | A | -0.8726 | |
| 273 | E | A | -0.3936 | |
| 274 | Y | A | 0.1627 | |
| 275 | F | A | -0.0247 | |
| 276 | S | A | -0.0279 | |
| 277 | A | A | -0.0144 | |
| 278 | G | A | -1.6031 | |
| 279 | G | A | 0.0000 | |
| 280 | Q | A | -3.1959 | |
| 281 | N | A | -3.4873 | |
| 282 | P | A | -2.2953 | |
| 283 | E | A | -2.6677 | |
| 284 | S | A | 0.0000 | |
| 285 | F | A | 0.4748 | |
| 286 | Y | A | 0.3158 | |
| 287 | R | A | -1.1480 | |
| 288 | A | A | 0.1861 | |
| 289 | F | A | 1.2827 | |
| 290 | S | A | 0.2099 | |
| 291 | S | A | -1.4074 | |
| 292 | D | A | -1.4222 | |
| 293 | I | A | 0.6999 | |
| 294 | L | A | -0.4222 | |
| 295 | E | A | -2.0962 | |
| 296 | S | A | -0.8760 | |
| 297 | A | A | -0.0399 | |
| 298 | F | A | -0.1119 | |
| 299 | N | A | -1.3980 | |
| 300 | N | A | -2.1960 | |
| 301 | P | A | -3.1201 | |
| 302 | R | A | -4.3877 | |
| 303 | D | A | -4.5826 | |
| 304 | K | A | -4.1709 | |
| 305 | L | A | 0.0000 | |
| 306 | E | A | -4.2708 | |
| 307 | R | A | -3.7000 | |
| 308 | L | A | -1.1869 | |
| 309 | F | A | 0.0000 | |
| 310 | G | A | -2.6652 | |
| 311 | Q | A | -2.5701 | |
| 312 | H | A | -2.7915 | |
| 313 | K | A | -3.9178 | |
| 314 | E | A | -3.4042 | |
| 315 | G | A | -2.4812 | |
| 316 | I | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | I | A | -1.1104 | |
| 319 | K | A | -2.2893 | |
| 320 | A | A | 0.0000 | |
| 321 | S | A | -2.6420 | |
| 322 | E | A | -3.9079 | |
| 323 | E | A | -3.7909 | |
| 324 | Q | A | -3.4896 | |
| 325 | I | A | 0.0000 | |
| 326 | R | A | -3.8695 | |
| 327 | A | A | -2.5193 | |
| 328 | I | A | -1.6364 | |
| 329 | S | A | -2.3000 | |
| 330 | E | A | -3.1071 | |
| 331 | H | A | -2.8188 | |
| 332 | A | A | 0.0000 | |
| 333 | S | A | -1.7642 | |
| 334 | R | A | -2.8360 | |
| 335 | S | A | -1.8567 | |
| 336 | T | A | -1.9223 | |
| 337 | Q | A | -2.1979 | |
| 338 | Q | A | -2.2211 | |
| 339 | T | A | -2.6420 | |
| 340 | R | A | -3.3249 | |
| 341 | G | A | -3.2324 | |
| 342 | R | A | -2.7984 | |
| 343 | T | A | 0.0000 | |
| 344 | Q | A | -2.1865 | |
| 345 | G | A | -0.7064 | |
| 346 | P | A | -0.3822 | |
| 347 | F | A | -0.3260 | |
| 348 | N | A | -0.8994 | |
| 349 | L | A | 0.0000 | |
| 350 | M | A | -1.1419 | |
| 351 | K | A | -2.1337 | |
| 352 | E | A | -1.8728 | |
| 353 | R | A | -2.3204 | |
| 354 | P | A | -1.1577 | |
| 355 | V | A | 0.2053 | |
| 356 | F | A | 0.0000 | |
| 357 | E | A | -2.1289 | |
| 358 | S | A | -1.9312 | |
| 359 | R | A | -2.3860 | |
| 360 | F | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | Q | A | -1.5676 | |
| 363 | F | A | 0.0000 | |
| 364 | F | A | 0.0000 | |
| 365 | E | A | 0.0000 | |
| 366 | A | A | 0.0000 | |
| 367 | R | A | -1.8416 | |
| 368 | P | A | 0.0000 | |
| 369 | E | A | -2.7562 | |
| 370 | R | A | -2.2603 | |
| 371 | Y | A | -1.9206 | |
| 372 | E | A | -3.3705 | |
| 373 | Q | A | -2.5829 | |
| 374 | L | A | 0.0000 | |
| 375 | R | A | -4.2165 | |
| 376 | D | A | -3.1714 | |
| 377 | L | A | 0.0000 | |
| 378 | D | A | -3.0317 | |
| 379 | A | A | 0.0000 | |
| 380 | A | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | G | A | 0.0000 | |
| 383 | F | A | 0.0000 | |
| 384 | M | A | 0.0000 | |
| 385 | N | A | -1.2344 | |
| 386 | I | A | 0.0000 | |
| 387 | N | A | -1.7787 | |
| 388 | Q | A | -2.1648 | |
| 389 | G | A | -1.7715 | |
| 390 | G | A | 0.0000 | |
| 391 | M | A | -0.2363 | |
| 392 | V | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | P | A | -0.0242 | |
| 395 | Y | A | 0.0000 | |
| 396 | Y | A | -0.3042 | |
| 397 | N | A | 0.0000 | |
| 398 | T | A | -1.2586 | |
| 399 | K | A | -1.9958 | |
| 400 | S | A | 0.0000 | |
| 401 | T | A | -0.6603 | |
| 402 | K | A | 0.0000 | |
| 403 | L | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | M | A | 0.0000 | |
| 406 | V | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | E | A | -2.0744 | |
| 409 | G | A | 0.0000 | |
| 410 | N | A | -2.0810 | |
| 411 | A | A | 0.0000 | |
| 412 | R | A | -2.1508 | |
| 413 | F | A | 0.0000 | |
| 414 | E | A | -2.0553 | |
| 415 | M | A | 0.0000 | |
| 416 | A | A | -0.8945 | |
| 417 | C | A | 0.0000 | |
| 418 | P | A | -0.6062 | |
| 419 | H | A | -1.2771 | |
| 420 | L | A | -1.4060 | |
| 421 | G | A | -1.4949 | |
| 422 | R | A | -2.4794 | |
| 423 | Q | A | -2.3041 | |
| 424 | S | A | -1.8450 | |
| 425 | Q | A | -1.8943 | |
| 426 | S | A | -1.0035 | |
| 427 | P | A | -0.5382 | |
| 428 | W | A | 0.2335 | |
| 429 | S | A | -1.0829 | |
| 430 | R | A | -2.1720 | |
| 431 | G | A | -1.9264 | |
| 432 | Q | A | -2.7723 | |
| 433 | G | A | -2.9351 | |
| 434 | R | A | -4.1107 | |
| 435 | E | A | -4.8613 | |
| 436 | Q | A | -5.2008 | |
| 437 | E | A | -5.6339 | |
| 438 | R | A | -6.1525 | |
| 439 | E | A | -5.8835 | |
| 440 | Q | A | -5.6668 | |
| 441 | E | A | -5.8198 | |
| 442 | Q | A | -5.7120 | |
| 443 | E | A | -5.4993 | |
| 444 | Q | A | -5.1343 | |
| 445 | E | A | -4.6594 | |
| 446 | E | A | -4.0471 | |
| 447 | G | A | -3.0999 | |
| 448 | D | A | -2.2231 | |
| 449 | V | A | -0.4827 | |
| 450 | H | A | -0.8608 | |
| 451 | Y | A | -0.0463 | |
| 452 | Q | A | -1.3448 | |
| 453 | K | A | -2.1370 | |
| 454 | I | A | 0.0000 | |
| 455 | R | A | -2.7612 | |
| 456 | G | A | -2.3221 | |
| 457 | N | A | -2.6502 | |
| 458 | L | A | 0.0000 | |
| 459 | N | A | -1.4750 | |
| 460 | V | A | -0.3322 | |
| 461 | G | A | -0.3552 | |
| 462 | D | A | 0.0000 | |
| 463 | V | A | 0.0000 | |
| 464 | L | A | 0.0000 | |
| 465 | V | A | 0.0000 | |
| 466 | I | A | 0.0000 | |
| 467 | P | A | -0.2040 | |
| 468 | A | A | -0.5936 | |
| 469 | G | A | -0.4589 | |
| 470 | H | A | 0.0000 | |
| 471 | P | A | -0.0127 | |
| 472 | I | A | 0.0000 | |
| 473 | T | A | -0.5199 | |
| 474 | F | A | 0.0000 | |
| 475 | V | A | 0.0000 | |
| 476 | A | A | 0.0000 | |
| 477 | T | A | -1.8179 | |
| 478 | G | A | -1.7271 | |
| 479 | N | A | -2.0892 | |
| 480 | S | A | -2.0132 | |
| 481 | N | A | -2.0860 | |
| 482 | L | A | 0.0000 | |
| 483 | R | A | -1.5021 | |
| 484 | I | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | G | A | -0.0528 | |
| 487 | F | A | 0.0000 | |
| 488 | G | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | D | A | -2.7485 | |
| 491 | A | A | 0.0000 | |
| 492 | E | A | -3.4436 | |
| 493 | N | A | -2.9363 | |
| 494 | N | A | 0.0000 | |
| 495 | K | A | -2.4515 | |
| 496 | K | A | -1.1014 | |
| 497 | N | A | -0.5646 | |
| 498 | F | A | 0.0000 | |
| 499 | L | A | 0.0133 | |
| 500 | A | A | -1.0291 | |
| 501 | G | A | 0.0000 | |
| 502 | K | A | -3.6079 | |
| 503 | Q | A | -2.4507 | |
| 504 | N | A | -1.2108 | |
| 505 | I | A | -0.6469 | |
| 506 | W | A | -1.4016 | |
| 507 | R | A | -2.9703 | |
| 508 | N | A | -2.2333 | |
| 509 | I | A | -1.6405 | |
| 510 | D | A | -3.1152 | |
| 511 | R | A | -3.3468 | |
| 512 | E | A | -2.8766 | |
| 513 | A | A | -1.2936 | |
| 514 | K | A | 0.0000 | |
| 515 | E | A | -1.9610 | |
| 516 | L | A | 0.5198 | |
| 517 | S | A | 0.2218 | |
| 518 | F | A | 0.7819 | |
| 519 | S | A | 0.3486 | |
| 520 | M | A | -0.6222 | |
| 521 | P | A | -1.7289 | |
| 522 | G | A | 0.0000 | |
| 523 | R | A | -3.6670 | |
| 524 | E | A | -3.2956 | |
| 525 | V | A | 0.0000 | |
| 526 | E | A | -3.1616 | |
| 527 | E | A | -3.0946 | |
| 528 | I | A | -1.2877 | |
| 529 | F | A | -1.7380 | |
| 530 | Q | A | -3.6367 | |
| 531 | R | A | -3.3550 | |
| 532 | Q | A | -3.0161 | |
| 533 | D | A | -3.6441 | |
| 534 | Q | A | -2.8068 | |
| 535 | S | A | -1.9466 | |
| 536 | Y | A | -0.8685 | |
| 537 | F | A | 0.0000 | |
| 538 | V | A | 0.0000 | |
| 539 | A | A | 0.0000 | |
| 540 | G | A | 0.0000 | |
| 541 | P | A | -1.7448 | |
| 542 | E | A | -3.1001 | |
| 543 | H | A | -3.2357 | |
| 544 | R | A | -3.8953 | |
| 545 | Q | A | -4.5660 | |
| 546 | Q | A | -5.0254 | |
| 547 | R | A | -5.5968 | |
| 548 | E | A | -5.8830 | |
| 549 | R | A | -5.8533 | |
| 550 | G | A | -5.0669 | |
| 551 | E | A | -5.8748 | |
| 552 | E | A | -5.9905 | |
| 553 | G | A | -5.0567 | |
| 554 | R | A | -5.4983 | |
| 555 | R | A | -5.2432 | |
| 556 | G | A | -3.6969 | |
| 557 | Q | A | -3.3177 | |
| 558 | D | A | -3.4182 | |
| 559 | Q | A | -2.2334 | |
| 560 | Y | A | 0.2171 | |
| 561 | L | A | 0.6633 | |
| 562 | S | A | 0.3258 | |
| 563 | S | A | 0.9854 | |
| 564 | I | A | 2.4149 | |
| 565 | L | A | 3.0335 | |
| 566 | D | A | 1.2448 | |
| 567 | F | A | 3.2251 | |
| 568 | V | A | 3.7799 | |
| 569 | F | A | 3.1812 |
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 | -1.4187 | 9.5726 | View | CSV | PDB |
| 4.5 | -1.5092 | 9.5726 | View | CSV | PDB |
| 5.0 | -1.6267 | 9.5726 | View | CSV | PDB |
| 5.5 | -1.7499 | 9.5726 | View | CSV | PDB |
| 6.0 | -1.8553 | 9.5726 | View | CSV | PDB |
| 6.5 | -1.9245 | 9.5726 | View | CSV | PDB |
| 7.0 | -1.9528 | 9.5726 | View | CSV | PDB |
| 7.5 | -1.9507 | 9.5726 | View | CSV | PDB |
| 8.0 | -1.9315 | 9.5726 | View | CSV | PDB |
| 8.5 | -1.9021 | 9.5726 | View | CSV | PDB |
| 9.0 | -1.8639 | 9.5726 | 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