| Chain sequence(s) |
A: MAEQKSSNGGGGGGDVVINVPVEEASRRSKEMASPESEKGVPFSKSPSPEISKLVGSPNKPPRAPNQNNVGLTQRKSFARSVYSKPKSRFVDPSCPVDTSILEEEVREQLGAGFSFSRASPNNKSNRSVGSPAPVTPSKVVVEKDEDEEIYKKVKLNREMRSKISTLALIESAFFVVILSALVASLTINVLKHHTFWGLEVWKWCVLVMVIFSGMLVTNWFMRLIVFLIETNFLLRRKVLYFVHGLKKSVQVFIWLCLILVAWILLFNHDVKRSPAATKVLKCITRTLISILTGAFFWLVKTLLLKILAANFNVNNFFDRIQDSVFHQYVLQTLSGLPLMEEAERVGREPSTGHLSFATVVKKGTVKEKKVIDMGKVHKMKREKVSAWTMRVLMEAVRTSGLSTISDTLDETAYGEGKEQADREITSEMEALAAAYHVFRNVAQPFFNYIEEEDLLRFMIKEEVDLVFPLFDGAAETGRITRKAFTEWVVKVYTSRRALAHSLNDTKTAVKQLNKLVTAILMVVTVVIWLLLLEVATTKVLLFFSTQLVALAFIIGSTCKNLFESIVFVFVMHPYDVGDRCVVDGVAMLVEEMNLLTTVFLKLNNEKVYYPNAVLATKPISNYFRSPNMGETVEFSISFSTPVSKIAHLKERIAEYLEQNPQHWAPVHSVVVKEIENMNKLKMALYSDHTITFQENRERNLRRTELSLAIKRMLEDLHIDYTLLPQDINLTKKN
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] (00:00:00)
[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 (00:13:20)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e335e485b19ad05/tmp/folded.pdb (00:13:20)
[INFO] Main: Simulation completed successfully. (00:16:32)
|
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 | 0.6871 | |
| 2 | A | A | -0.5045 | |
| 3 | E | A | -2.6077 | |
| 4 | Q | A | -3.0766 | |
| 5 | K | A | -2.8777 | |
| 6 | S | A | -1.6797 | |
| 7 | S | A | -1.4485 | |
| 8 | N | A | -1.8305 | |
| 9 | G | A | -1.5345 | |
| 10 | G | A | -1.4642 | |
| 11 | G | A | -1.3588 | |
| 12 | G | A | -1.7166 | |
| 13 | G | A | -1.8764 | |
| 14 | G | A | -1.9513 | |
| 15 | D | A | -2.2803 | |
| 16 | V | A | -1.0379 | |
| 17 | V | A | 0.5072 | |
| 18 | I | A | 1.6885 | |
| 19 | N | A | 0.4794 | |
| 20 | V | A | 1.7273 | |
| 21 | P | A | 0.5425 | |
| 22 | V | A | 0.5742 | |
| 23 | E | A | -1.9053 | |
| 24 | E | A | -2.5154 | |
| 25 | A | A | -1.7639 | |
| 26 | S | A | -2.1900 | |
| 27 | R | A | -3.2642 | |
| 28 | R | A | -3.2511 | |
| 29 | S | A | -2.7881 | |
| 30 | K | A | -3.0259 | |
| 31 | E | A | -2.1676 | |
| 32 | M | A | -0.2647 | |
| 33 | A | A | -0.3586 | |
| 34 | S | A | -0.7536 | |
| 35 | P | A | -1.3715 | |
| 36 | E | A | -2.6789 | |
| 37 | S | A | -2.5670 | |
| 38 | E | A | -3.2840 | |
| 39 | K | A | -2.6787 | |
| 40 | G | A | -0.8291 | |
| 41 | V | A | 1.4080 | |
| 42 | P | A | 1.4589 | |
| 43 | F | A | 1.6197 | |
| 44 | S | A | -0.1032 | |
| 45 | K | A | -1.4976 | |
| 46 | S | A | -1.0980 | |
| 47 | P | A | -0.9462 | |
| 48 | S | A | -0.8565 | |
| 49 | P | A | -0.9407 | |
| 50 | E | A | -1.2116 | |
| 51 | I | A | 0.7059 | |
| 52 | S | A | -0.0410 | |
| 53 | K | A | -0.3060 | |
| 54 | L | A | 1.5631 | |
| 55 | V | A | 1.7329 | |
| 56 | G | A | 0.2807 | |
| 57 | S | A | -0.2391 | |
| 58 | P | A | -1.2991 | |
| 59 | N | A | -2.3613 | |
| 60 | K | A | -2.5419 | |
| 61 | P | A | -1.9248 | |
| 62 | P | A | -1.6216 | |
| 63 | R | A | -2.2015 | |
| 64 | A | A | -1.5211 | |
| 65 | P | A | -1.6986 | |
| 66 | N | A | -2.6594 | |
| 67 | Q | A | -2.5716 | |
| 68 | N | A | -2.4725 | |
| 69 | N | A | -1.6048 | |
| 70 | V | A | 0.8187 | |
| 71 | G | A | 0.5585 | |
| 72 | L | A | 1.2062 | |
| 73 | T | A | -0.7733 | |
| 74 | Q | A | -2.2715 | |
| 75 | R | A | -2.9160 | |
| 76 | K | A | -2.4439 | |
| 77 | S | A | -0.9389 | |
| 78 | F | A | 0.6542 | |
| 79 | A | A | -0.0262 | |
| 80 | R | A | -0.8328 | |
| 81 | S | A | 0.1928 | |
| 82 | V | A | 1.5836 | |
| 83 | Y | A | 1.2583 | |
| 84 | S | A | -0.5860 | |
| 85 | K | A | -1.7811 | |
| 86 | P | A | -2.0931 | |
| 87 | K | A | -2.5316 | |
| 88 | S | A | -1.4644 | |
| 89 | R | A | -1.5581 | |
| 90 | F | A | 0.4077 | |
| 91 | V | A | 0.4297 | |
| 92 | D | A | -1.2017 | |
| 93 | P | A | -0.6863 | |
| 94 | S | A | -0.0827 | |
| 95 | C | A | 0.3937 | |
| 96 | P | A | 0.1074 | |
| 97 | V | A | 0.7547 | |
| 98 | D | A | -0.8502 | |
| 99 | T | A | -0.6577 | |
| 100 | S | A | -0.8307 | |
| 101 | I | A | -0.1059 | |
| 102 | L | A | -1.1088 | |
| 103 | E | A | -3.0797 | |
| 104 | E | A | -3.6196 | |
| 105 | E | A | -3.4015 | |
| 106 | V | A | -2.6248 | |
| 107 | R | A | -3.8064 | |
| 108 | E | A | -3.9333 | |
| 109 | Q | A | -2.5364 | |
| 110 | L | A | -0.5812 | |
| 111 | G | A | -0.8675 | |
| 112 | A | A | -0.1113 | |
| 113 | G | A | 0.8190 | |
| 114 | F | A | 2.2751 | |
| 115 | S | A | 1.2455 | |
| 116 | F | A | 1.6989 | |
| 117 | S | A | 0.0113 | |
| 118 | R | A | -1.4973 | |
| 119 | A | A | -0.9525 | |
| 120 | S | A | -1.2795 | |
| 121 | P | A | -1.6666 | |
| 122 | N | A | -2.4519 | |
| 123 | N | A | -2.9809 | |
| 124 | K | A | -3.0333 | |
| 125 | S | A | -2.4650 | |
| 126 | N | A | -2.8498 | |
| 127 | R | A | -2.2231 | |
| 128 | S | A | -0.7071 | |
| 129 | V | A | 0.8980 | |
| 130 | G | A | -0.0073 | |
| 131 | S | A | -0.1714 | |
| 132 | P | A | -0.0533 | |
| 133 | A | A | 0.0731 | |
| 134 | P | A | 0.4885 | |
| 135 | V | A | 1.4909 | |
| 136 | T | A | 0.3693 | |
| 137 | P | A | -0.1458 | |
| 138 | S | A | -0.2476 | |
| 139 | K | A | -0.3170 | |
| 140 | V | A | 1.9863 | |
| 141 | V | A | 2.3092 | |
| 142 | V | A | 1.3368 | |
| 143 | E | A | -1.7169 | |
| 144 | K | A | -3.3812 | |
| 145 | D | A | -4.1256 | |
| 146 | E | A | -2.8998 | |
| 147 | D | A | -2.9953 | |
| 148 | E | A | -2.9917 | |
| 149 | E | A | -3.0487 | |
| 150 | I | A | -0.7161 | |
| 151 | Y | A | -0.6030 | |
| 152 | K | A | -2.3118 | |
| 153 | K | A | -1.9197 | |
| 154 | V | A | -0.8404 | |
| 155 | K | A | -2.0001 | |
| 156 | L | A | -0.9845 | |
| 157 | N | A | -2.0765 | |
| 158 | R | A | -3.6904 | |
| 159 | E | A | -3.0520 | |
| 160 | M | A | -1.8048 | |
| 161 | R | A | -3.0570 | |
| 162 | S | A | -2.2900 | |
| 163 | K | A | -2.0043 | |
| 164 | I | A | 0.8825 | |
| 165 | S | A | 0.9091 | |
| 166 | T | A | 1.4759 | |
| 167 | L | A | 2.5255 | |
| 168 | A | A | 2.1468 | |
| 169 | L | A | 2.6816 | |
| 170 | I | A | 2.8740 | |
| 171 | E | A | 2.3637 | |
| 172 | S | A | 2.3807 | |
| 173 | A | A | 2.9616 | |
| 174 | F | A | 3.7089 | |
| 175 | F | A | 3.5773 | |
| 176 | V | A | 3.6045 | |
| 177 | V | A | 3.7016 | |
| 178 | I | A | 0.0000 | |
| 179 | L | A | 2.8858 | |
| 180 | S | A | 2.2121 | |
| 181 | A | A | 1.7720 | |
| 182 | L | A | 2.1542 | |
| 183 | V | A | 2.4546 | |
| 184 | A | A | 1.2722 | |
| 185 | S | A | 0.0000 | |
| 186 | L | A | 1.2137 | |
| 187 | T | A | 1.0639 | |
| 188 | I | A | 1.2377 | |
| 189 | N | A | -0.3142 | |
| 190 | V | A | 1.0501 | |
| 191 | L | A | 0.3595 | |
| 192 | K | A | -0.9964 | |
| 193 | H | A | -1.1373 | |
| 194 | H | A | -0.6445 | |
| 195 | T | A | 0.1299 | |
| 196 | F | A | 1.9769 | |
| 197 | W | A | 1.7151 | |
| 198 | G | A | 0.4994 | |
| 199 | L | A | 0.0000 | |
| 200 | E | A | -0.5739 | |
| 201 | V | A | 0.2768 | |
| 202 | W | A | 0.4855 | |
| 203 | K | A | 0.4770 | |
| 204 | W | A | 0.9398 | |
| 205 | C | A | 1.1212 | |
| 206 | V | A | 1.2286 | |
| 207 | L | A | 0.0000 | |
| 208 | V | A | 1.7317 | |
| 209 | M | A | 2.1860 | |
| 210 | V | A | 1.9265 | |
| 211 | I | A | 1.8137 | |
| 212 | F | A | 2.0752 | |
| 213 | S | A | 1.4891 | |
| 214 | G | A | 0.0000 | |
| 215 | M | A | 1.3048 | |
| 216 | L | A | 1.2318 | |
| 217 | V | A | 1.5813 | |
| 218 | T | A | 0.0000 | |
| 219 | N | A | 0.1315 | |
| 220 | W | A | 1.3531 | |
| 221 | F | A | 1.6478 | |
| 222 | M | A | 0.0000 | |
| 223 | R | A | -0.0330 | |
| 224 | L | A | 1.4094 | |
| 225 | I | A | 1.2391 | |
| 226 | V | A | 0.7253 | |
| 227 | F | A | 1.6035 | |
| 228 | L | A | 1.2489 | |
| 229 | I | A | 0.7433 | |
| 230 | E | A | -0.2700 | |
| 231 | T | A | 0.6063 | |
| 232 | N | A | 0.4916 | |
| 233 | F | A | 1.8237 | |
| 234 | L | A | 1.7497 | |
| 235 | L | A | 0.7895 | |
| 236 | R | A | -1.7332 | |
| 237 | R | A | -2.6122 | |
| 238 | K | A | -2.1871 | |
| 239 | V | A | -0.6146 | |
| 240 | L | A | -0.7418 | |
| 241 | Y | A | -0.7534 | |
| 242 | F | A | -0.0910 | |
| 243 | V | A | -0.2127 | |
| 244 | H | A | -1.0327 | |
| 245 | G | A | -0.7399 | |
| 246 | L | A | -0.6571 | |
| 247 | K | A | -1.9030 | |
| 248 | K | A | -2.0677 | |
| 249 | S | A | 0.0000 | |
| 250 | V | A | -0.0276 | |
| 251 | Q | A | -0.0535 | |
| 252 | V | A | 0.3815 | |
| 253 | F | A | 1.3703 | |
| 254 | I | A | 1.3549 | |
| 255 | W | A | 1.3279 | |
| 256 | L | A | 1.8440 | |
| 257 | C | A | 1.7753 | |
| 258 | L | A | 1.8550 | |
| 259 | I | A | 0.0000 | |
| 260 | L | A | 2.2324 | |
| 261 | V | A | 2.7528 | |
| 262 | A | A | 1.9431 | |
| 263 | W | A | 0.0000 | |
| 264 | I | A | 1.4261 | |
| 265 | L | A | 1.7405 | |
| 266 | L | A | 0.0000 | |
| 267 | F | A | 0.0000 | |
| 268 | N | A | -1.5372 | |
| 269 | H | A | -1.8967 | |
| 270 | D | A | -2.4893 | |
| 271 | V | A | -1.1688 | |
| 272 | K | A | -1.9666 | |
| 273 | R | A | -1.1884 | |
| 274 | S | A | -0.7743 | |
| 275 | P | A | -0.9525 | |
| 276 | A | A | -0.5975 | |
| 277 | A | A | 0.0000 | |
| 278 | T | A | -1.1304 | |
| 279 | K | A | -1.9077 | |
| 280 | V | A | -0.5536 | |
| 281 | L | A | -0.9199 | |
| 282 | K | A | -1.9466 | |
| 283 | C | A | -0.5503 | |
| 284 | I | A | 0.1906 | |
| 285 | T | A | -0.0731 | |
| 286 | R | A | 0.0183 | |
| 287 | T | A | 0.8991 | |
| 288 | L | A | 1.1786 | |
| 289 | I | A | 1.4879 | |
| 290 | S | A | 0.0000 | |
| 291 | I | A | 2.4899 | |
| 292 | L | A | 1.9311 | |
| 293 | T | A | 1.6708 | |
| 294 | G | A | 2.3159 | |
| 295 | A | A | 0.0000 | |
| 296 | F | A | 2.3067 | |
| 297 | F | A | 2.2219 | |
| 298 | W | A | 1.8434 | |
| 299 | L | A | 1.4456 | |
| 300 | V | A | 1.8521 | |
| 301 | K | A | 1.3529 | |
| 302 | T | A | 1.0543 | |
| 303 | L | A | 1.8938 | |
| 304 | L | A | 2.2781 | |
| 305 | L | A | 1.3470 | |
| 306 | K | A | 0.9965 | |
| 307 | I | A | 1.5019 | |
| 308 | L | A | 1.6469 | |
| 309 | A | A | 0.6297 | |
| 310 | A | A | -0.2039 | |
| 311 | N | A | -0.7857 | |
| 312 | F | A | -0.0297 | |
| 313 | N | A | -0.8142 | |
| 314 | V | A | -1.7440 | |
| 315 | N | A | -2.1389 | |
| 316 | N | A | -1.7568 | |
| 317 | F | A | 0.0000 | |
| 318 | F | A | 0.0000 | |
| 319 | D | A | -2.8798 | |
| 320 | R | A | -2.9823 | |
| 321 | I | A | 0.0000 | |
| 322 | Q | A | -2.2806 | |
| 323 | D | A | -2.6291 | |
| 324 | S | A | 0.0000 | |
| 325 | V | A | 0.0000 | |
| 326 | F | A | 0.0000 | |
| 327 | H | A | -0.5210 | |
| 328 | Q | A | 0.0000 | |
| 329 | Y | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Q | A | -0.1084 | |
| 333 | T | A | 0.0687 | |
| 334 | L | A | 0.0000 | |
| 335 | S | A | -0.5727 | |
| 336 | G | A | -0.0793 | |
| 337 | L | A | 0.1010 | |
| 338 | P | A | -0.3369 | |
| 339 | L | A | -0.3090 | |
| 340 | M | A | -1.5304 | |
| 341 | E | A | -2.5283 | |
| 342 | E | A | -2.8782 | |
| 343 | A | A | 0.0000 | |
| 344 | E | A | -3.8826 | |
| 345 | R | A | -3.0203 | |
| 346 | V | A | -1.1722 | |
| 347 | G | A | -2.3645 | |
| 348 | R | A | -3.1509 | |
| 349 | E | A | -2.9024 | |
| 350 | P | A | -2.0013 | |
| 351 | S | A | -0.8601 | |
| 352 | T | A | -0.8932 | |
| 353 | G | A | -0.4658 | |
| 354 | H | A | -0.7497 | |
| 355 | L | A | 0.0000 | |
| 356 | S | A | -0.8489 | |
| 357 | F | A | 0.0000 | |
| 358 | A | A | -1.0522 | |
| 359 | T | A | 0.0000 | |
| 360 | V | A | 0.7703 | |
| 361 | V | A | 0.5302 | |
| 362 | K | A | -1.4931 | |
| 363 | K | A | -1.9636 | |
| 364 | G | A | -1.1507 | |
| 365 | T | A | -0.2009 | |
| 366 | V | A | 0.4131 | |
| 367 | K | A | -1.3269 | |
| 368 | E | A | -1.7145 | |
| 369 | K | A | -2.6178 | |
| 370 | K | A | -1.7736 | |
| 371 | V | A | -0.4041 | |
| 372 | I | A | 0.0000 | |
| 373 | D | A | -0.8177 | |
| 374 | M | A | 0.0000 | |
| 375 | G | A | -1.6597 | |
| 376 | K | A | -2.2403 | |
| 377 | V | A | 0.0000 | |
| 378 | H | A | -2.1449 | |
| 379 | K | A | -2.7069 | |
| 380 | M | A | -2.7556 | |
| 381 | K | A | -3.5639 | |
| 382 | R | A | -3.4273 | |
| 383 | E | A | -3.5420 | |
| 384 | K | A | -3.1429 | |
| 385 | V | A | -1.9767 | |
| 386 | S | A | -1.8880 | |
| 387 | A | A | -1.2544 | |
| 388 | W | A | -0.6261 | |
| 389 | T | A | -0.6760 | |
| 390 | M | A | 0.0000 | |
| 391 | R | A | -1.5070 | |
| 392 | V | A | -0.7200 | |
| 393 | L | A | 0.0000 | |
| 394 | M | A | -0.8098 | |
| 395 | E | A | -0.7974 | |
| 396 | A | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | R | A | -1.4858 | |
| 399 | T | A | -0.1136 | |
| 400 | S | A | 0.0000 | |
| 401 | G | A | -1.2904 | |
| 402 | L | A | 0.0000 | |
| 403 | S | A | 0.0000 | |
| 404 | T | A | -1.0058 | |
| 405 | I | A | -1.1245 | |
| 406 | S | A | -1.1828 | |
| 407 | D | A | -2.4325 | |
| 408 | T | A | -0.9666 | |
| 409 | L | A | -0.3387 | |
| 410 | D | A | -2.4599 | |
| 411 | E | A | -2.7695 | |
| 412 | T | A | -1.0336 | |
| 413 | A | A | -0.4974 | |
| 414 | Y | A | 0.1520 | |
| 415 | G | A | -1.2576 | |
| 416 | E | A | -2.7017 | |
| 417 | G | A | -3.1745 | |
| 418 | K | A | -3.6634 | |
| 419 | E | A | -4.3408 | |
| 420 | Q | A | -3.3768 | |
| 421 | A | A | -2.6251 | |
| 422 | D | A | -2.8175 | |
| 423 | R | A | -3.1017 | |
| 424 | E | A | -2.5133 | |
| 425 | I | A | 0.0000 | |
| 426 | T | A | -1.2413 | |
| 427 | S | A | -1.3830 | |
| 428 | E | A | -1.7415 | |
| 429 | M | A | -0.5814 | |
| 430 | E | A | -1.6276 | |
| 431 | A | A | 0.0000 | |
| 432 | L | A | -0.4517 | |
| 433 | A | A | -0.4912 | |
| 434 | A | A | -1.1081 | |
| 435 | A | A | 0.0000 | |
| 436 | Y | A | -1.2920 | |
| 437 | H | A | -1.7596 | |
| 438 | V | A | 0.0000 | |
| 439 | F | A | 0.0000 | |
| 440 | R | A | -2.5705 | |
| 441 | N | A | -2.1692 | |
| 442 | V | A | 0.0000 | |
| 443 | A | A | -1.1030 | |
| 444 | Q | A | -0.4687 | |
| 445 | P | A | 0.1453 | |
| 446 | F | A | 1.7681 | |
| 447 | F | A | 0.9751 | |
| 448 | N | A | -1.0094 | |
| 449 | Y | A | -0.8553 | |
| 450 | I | A | 0.0000 | |
| 451 | E | A | -1.7147 | |
| 452 | E | A | -2.6276 | |
| 453 | E | A | -2.5126 | |
| 454 | D | A | 0.0000 | |
| 455 | L | A | 0.0000 | |
| 456 | L | A | -1.3311 | |
| 457 | R | A | -1.4163 | |
| 458 | F | A | 0.0000 | |
| 459 | M | A | 0.0000 | |
| 460 | I | A | -1.2547 | |
| 461 | K | A | -3.0957 | |
| 462 | E | A | -2.9563 | |
| 463 | E | A | 0.0000 | |
| 464 | V | A | 0.0000 | |
| 465 | D | A | -2.5195 | |
| 466 | L | A | -0.8452 | |
| 467 | V | A | 0.0000 | |
| 468 | F | A | -1.0619 | |
| 469 | P | A | -0.7980 | |
| 470 | L | A | -0.2128 | |
| 471 | F | A | 0.0000 | |
| 472 | D | A | -2.5587 | |
| 473 | G | A | -1.9076 | |
| 474 | A | A | 0.0000 | |
| 475 | A | A | -1.7385 | |
| 476 | E | A | -2.4269 | |
| 477 | T | A | -1.7752 | |
| 478 | G | A | -1.6853 | |
| 479 | R | A | -2.3199 | |
| 480 | I | A | 0.0000 | |
| 481 | T | A | -1.6531 | |
| 482 | R | A | -2.1652 | |
| 483 | K | A | -2.6681 | |
| 484 | A | A | -2.0354 | |
| 485 | F | A | 0.0000 | |
| 486 | T | A | 0.0000 | |
| 487 | E | A | -2.3418 | |
| 488 | W | A | 0.0000 | |
| 489 | V | A | 0.0000 | |
| 490 | V | A | -1.3800 | |
| 491 | K | A | -2.1945 | |
| 492 | V | A | 0.0000 | |
| 493 | Y | A | 0.0000 | |
| 494 | T | A | -0.6432 | |
| 495 | S | A | -1.1890 | |
| 496 | R | A | 0.0000 | |
| 497 | R | A | -1.1625 | |
| 498 | A | A | -0.7115 | |
| 499 | L | A | 0.0000 | |
| 500 | A | A | -1.4432 | |
| 501 | H | A | -1.9889 | |
| 502 | S | A | -1.4986 | |
| 503 | L | A | 0.0000 | |
| 504 | N | A | -2.2257 | |
| 505 | D | A | -2.7809 | |
| 506 | T | A | -1.9425 | |
| 507 | K | A | -2.5165 | |
| 508 | T | A | -2.1826 | |
| 509 | A | A | -1.8038 | |
| 510 | V | A | -1.5127 | |
| 511 | K | A | -2.8517 | |
| 512 | Q | A | -2.1950 | |
| 513 | L | A | -0.7723 | |
| 514 | N | A | -1.4825 | |
| 515 | K | A | -1.5417 | |
| 516 | L | A | 0.7144 | |
| 517 | V | A | 1.1841 | |
| 518 | T | A | 1.0617 | |
| 519 | A | A | 1.9660 | |
| 520 | I | A | 3.3574 | |
| 521 | L | A | 2.8734 | |
| 522 | M | A | 3.1949 | |
| 523 | V | A | 3.5870 | |
| 524 | V | A | 3.1006 | |
| 525 | T | A | 2.8908 | |
| 526 | V | A | 2.7391 | |
| 527 | V | A | 2.4302 | |
| 528 | I | A | 2.2069 | |
| 529 | W | A | 2.1675 | |
| 530 | L | A | 1.5367 | |
| 531 | L | A | 1.2927 | |
| 532 | L | A | 0.8766 | |
| 533 | L | A | 0.3328 | |
| 534 | E | A | -0.4922 | |
| 535 | V | A | 1.1432 | |
| 536 | A | A | 0.0000 | |
| 537 | T | A | 0.0863 | |
| 538 | T | A | 0.2050 | |
| 539 | K | A | -0.0878 | |
| 540 | V | A | 1.3659 | |
| 541 | L | A | 1.8675 | |
| 542 | L | A | 2.2890 | |
| 543 | F | A | 2.3417 | |
| 544 | F | A | 1.9770 | |
| 545 | S | A | 1.9233 | |
| 546 | T | A | 1.8032 | |
| 547 | Q | A | 1.5837 | |
| 548 | L | A | 3.1009 | |
| 549 | V | A | 3.1359 | |
| 550 | A | A | 2.6923 | |
| 551 | L | A | 3.4395 | |
| 552 | A | A | 3.2721 | |
| 553 | F | A | 3.9962 | |
| 554 | I | A | 4.1172 | |
| 555 | I | A | 2.7117 | |
| 556 | G | A | 1.4791 | |
| 557 | S | A | 0.3336 | |
| 558 | T | A | 0.1813 | |
| 559 | C | A | 0.0098 | |
| 560 | K | A | -1.5100 | |
| 561 | N | A | -1.0103 | |
| 562 | L | A | 0.7544 | |
| 563 | F | A | 1.4915 | |
| 564 | E | A | 0.1639 | |
| 565 | S | A | 0.0000 | |
| 566 | I | A | 2.6815 | |
| 567 | V | A | 3.2768 | |
| 568 | F | A | 0.0000 | |
| 569 | V | A | 0.0000 | |
| 570 | F | A | 3.6395 | |
| 571 | V | A | 3.5031 | |
| 572 | M | A | 2.3495 | |
| 573 | H | A | 1.0749 | |
| 574 | P | A | -0.1221 | |
| 575 | Y | A | 0.0000 | |
| 576 | D | A | -1.1795 | |
| 577 | V | A | 0.2147 | |
| 578 | G | A | -0.0095 | |
| 579 | D | A | 0.0000 | |
| 580 | R | A | -0.1745 | |
| 581 | C | A | 0.0000 | |
| 582 | V | A | -0.0450 | |
| 583 | V | A | 0.0000 | |
| 584 | D | A | -1.8018 | |
| 585 | G | A | -0.8557 | |
| 586 | V | A | 0.2738 | |
| 587 | A | A | 0.3232 | |
| 588 | M | A | 0.0000 | |
| 589 | L | A | -0.3271 | |
| 590 | V | A | 0.0000 | |
| 591 | E | A | -1.5823 | |
| 592 | E | A | -1.5604 | |
| 593 | M | A | -0.4460 | |
| 594 | N | A | -0.0172 | |
| 595 | L | A | 1.8617 | |
| 596 | L | A | 1.4742 | |
| 597 | T | A | 0.7662 | |
| 598 | T | A | 0.0000 | |
| 599 | V | A | 0.0000 | |
| 600 | F | A | 0.0000 | |
| 601 | L | A | -1.4001 | |
| 602 | K | A | -1.0428 | |
| 603 | L | A | -0.0685 | |
| 604 | N | A | -1.8004 | |
| 605 | N | A | -2.3550 | |
| 606 | E | A | -2.6211 | |
| 607 | K | A | -2.2093 | |
| 608 | V | A | -0.3523 | |
| 609 | Y | A | 1.0604 | |
| 610 | Y | A | 0.9442 | |
| 611 | P | A | 0.7235 | |
| 612 | N | A | 0.0000 | |
| 613 | A | A | 0.1176 | |
| 614 | V | A | 0.4658 | |
| 615 | L | A | 0.0000 | |
| 616 | A | A | -0.0225 | |
| 617 | T | A | -0.2040 | |
| 618 | K | A | -0.7327 | |
| 619 | P | A | -0.7569 | |
| 620 | I | A | -0.3463 | |
| 621 | S | A | -0.4142 | |
| 622 | N | A | -0.2838 | |
| 623 | Y | A | 0.0975 | |
| 624 | F | A | 0.4540 | |
| 625 | R | A | -1.3936 | |
| 626 | S | A | -0.7417 | |
| 627 | P | A | -1.0065 | |
| 628 | N | A | -1.4487 | |
| 629 | M | A | -0.9880 | |
| 630 | G | A | -0.9955 | |
| 631 | E | A | -0.7460 | |
| 632 | T | A | -0.6144 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -1.7600 | |
| 635 | F | A | -0.9517 | |
| 636 | S | A | -0.7917 | |
| 637 | I | A | 0.0000 | |
| 638 | S | A | 0.0000 | |
| 639 | F | A | 0.7301 | |
| 640 | S | A | 0.3801 | |
| 641 | T | A | 0.1001 | |
| 642 | P | A | 0.6045 | |
| 643 | V | A | 1.4866 | |
| 644 | S | A | 0.1727 | |
| 645 | K | A | -0.6010 | |
| 646 | I | A | -0.1117 | |
| 647 | A | A | -0.8569 | |
| 648 | H | A | -1.7731 | |
| 649 | L | A | 0.0000 | |
| 650 | K | A | -2.3330 | |
| 651 | E | A | -3.2579 | |
| 652 | R | A | -2.8170 | |
| 653 | I | A | 0.0000 | |
| 654 | A | A | -2.4648 | |
| 655 | E | A | -3.5511 | |
| 656 | Y | A | -2.2407 | |
| 657 | L | A | 0.0000 | |
| 658 | E | A | -3.1821 | |
| 659 | Q | A | -2.8364 | |
| 660 | N | A | -2.1068 | |
| 661 | P | A | -1.8747 | |
| 662 | Q | A | -1.8241 | |
| 663 | H | A | -1.5344 | |
| 664 | W | A | 0.0000 | |
| 665 | A | A | -0.6704 | |
| 666 | P | A | -0.5743 | |
| 667 | V | A | 1.1858 | |
| 668 | H | A | 0.3779 | |
| 669 | S | A | 0.2397 | |
| 670 | V | A | 0.0000 | |
| 671 | V | A | 0.2036 | |
| 672 | V | A | 0.1137 | |
| 673 | K | A | -1.6704 | |
| 674 | E | A | -2.1289 | |
| 675 | I | A | -0.6975 | |
| 676 | E | A | -1.6783 | |
| 677 | N | A | -1.1717 | |
| 678 | M | A | 0.2799 | |
| 679 | N | A | 0.4651 | |
| 680 | K | A | -0.2265 | |
| 681 | L | A | 0.0000 | |
| 682 | K | A | -1.5705 | |
| 683 | M | A | 0.0000 | |
| 684 | A | A | 0.0000 | |
| 685 | L | A | 0.0000 | |
| 686 | Y | A | 0.2176 | |
| 687 | S | A | 0.0000 | |
| 688 | D | A | -0.9179 | |
| 689 | H | A | 0.0000 | |
| 690 | T | A | -0.9227 | |
| 691 | I | A | -0.5381 | |
| 692 | T | A | -0.6428 | |
| 693 | F | A | 0.0000 | |
| 694 | Q | A | -0.6167 | |
| 695 | E | A | -1.7415 | |
| 696 | N | A | -1.7773 | |
| 697 | R | A | -2.6430 | |
| 698 | E | A | -2.1740 | |
| 699 | R | A | -1.8820 | |
| 700 | N | A | -2.1475 | |
| 701 | L | A | -0.5518 | |
| 702 | R | A | 0.0000 | |
| 703 | R | A | -1.3368 | |
| 704 | T | A | -0.8182 | |
| 705 | E | A | -1.4305 | |
| 706 | L | A | 0.0000 | |
| 707 | S | A | -1.0510 | |
| 708 | L | A | -1.0365 | |
| 709 | A | A | -1.3227 | |
| 710 | I | A | 0.0000 | |
| 711 | K | A | -3.0027 | |
| 712 | R | A | -3.5686 | |
| 713 | M | A | 0.0000 | |
| 714 | L | A | -2.9505 | |
| 715 | E | A | -4.2324 | |
| 716 | D | A | -3.5301 | |
| 717 | L | A | -2.4372 | |
| 718 | H | A | -2.6499 | |
| 719 | I | A | 0.0000 | |
| 720 | D | A | -1.6202 | |
| 721 | Y | A | 0.7260 | |
| 722 | T | A | 1.0447 | |
| 723 | L | A | 1.8231 | |
| 724 | L | A | 0.7422 | |
| 725 | P | A | -0.3525 | |
| 726 | Q | A | -1.4043 | |
| 727 | D | A | -1.5445 | |
| 728 | I | A | 0.5979 | |
| 729 | N | A | -0.3882 | |
| 730 | L | A | 0.5578 | |
| 731 | T | A | -0.9007 | |
| 732 | K | A | -2.6791 | |
| 733 | K | A | -2.9581 | |
| 734 | N | A | -2.6097 |
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 | -0.2415 | 7.08 | View | CSV | PDB |
| 4.5 | -0.315 | 7.08 | View | CSV | PDB |
| 5.0 | -0.4074 | 7.08 | View | CSV | PDB |
| 5.5 | -0.497 | 7.08 | View | CSV | PDB |
| 6.0 | -0.5604 | 7.08 | View | CSV | PDB |
| 6.5 | -0.5827 | 7.08 | View | CSV | PDB |
| 7.0 | -0.5642 | 7.08 | View | CSV | PDB |
| 7.5 | -0.5175 | 7.08 | View | CSV | PDB |
| 8.0 | -0.4557 | 7.08 | View | CSV | PDB |
| 8.5 | -0.3855 | 7.08 | View | CSV | PDB |
| 9.0 | -0.3079 | 7.08 | 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