| Chain sequence(s) |
A: MQAVVPLNKMTAISPEPQTLASTEQNEVPRVVTSGEQEAILRGNAADAESFRQRFRWFCYSEVAGPRKALSQLWELCNQWLRPDIHTKEQILELLVFEQFLTILPGEIRIWVKSQHPESSEEVVTLIEDLTQMLEEKDPVSQDSTVSQEENSKEDKMVTVCPNTESCESITLKDVAVNFSRGEWKKLEPFQKELYKEVLLENLRNLEFLDFPVSKLELISQLKWVELPWLLEEVSKSSRLDESALDKIIERCLRDDDHGLMEESQQYCGSSEEDHGNQGNSKGRVAQNKTLGSGSRGKKFDPDKSPFGHNFKETSDLIKHLRVYLRKKSRRYNESKKPFSFHSDLVLNRKEKTAGEKSRKSNDGGKVLSHSSALTEHQKRQKIHLGDRSQKCSKCGIIFIRRSTLSRRKTPMCEKCRKDSCQEAALNKDEGNESGEKTHKCSKCGKAFGYSASLTKHRRIHTGEKPYMCNECGKAFSDSSSLTPHHRTHSGEKPFKCDDCGKGFTLSAHLIKHQRIHTGEKPYKCKDCGRPFSDSSSLIQHQRIHTGEKPYTCSNCGKSFSHSSSLSKHQRIHTGEKPYKCGECGKAFRQNSCLTRHQRIHTGEKPYLCNDCGMTFSHFTSVIYHQRLHSGEKPYKCNQCEKAFPTHSLLSRHQRIHTGVKPYKCKECGKSFSQSSSLNEHHRIHTGEKPYECNYCGATFSRSSILVEHLKIHTGRREYECNECEKTFKSNSGLIRHRGFHSAE
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 (00:16:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c45c3f31627d53c/tmp/folded.pdb (00:16:40)
[INFO] Main: Simulation completed successfully. (00:20:26)
|
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 | 0.6898 | |
| 2 | Q | A | 0.0728 | |
| 3 | A | A | 1.0610 | |
| 4 | V | A | 2.5540 | |
| 5 | V | A | 2.5664 | |
| 6 | P | A | 1.2522 | |
| 7 | L | A | 1.1423 | |
| 8 | N | A | -0.9295 | |
| 9 | K | A | -1.4588 | |
| 10 | M | A | 0.3525 | |
| 11 | T | A | 0.3421 | |
| 12 | A | A | 0.9393 | |
| 13 | I | A | 1.7516 | |
| 14 | S | A | 0.1531 | |
| 15 | P | A | -0.9244 | |
| 16 | E | A | -2.1750 | |
| 17 | P | A | -1.6282 | |
| 18 | Q | A | -1.4178 | |
| 19 | T | A | -0.1974 | |
| 20 | L | A | 1.1180 | |
| 21 | A | A | 0.3400 | |
| 22 | S | A | -0.5476 | |
| 23 | T | A | -1.3472 | |
| 24 | E | A | -3.0801 | |
| 25 | Q | A | -3.0686 | |
| 26 | N | A | -2.8018 | |
| 27 | E | A | -2.5136 | |
| 28 | V | A | 0.0170 | |
| 29 | P | A | -0.1386 | |
| 30 | R | A | -0.4254 | |
| 31 | V | A | 1.8627 | |
| 32 | V | A | 1.5634 | |
| 33 | T | A | 0.2446 | |
| 34 | S | A | -0.6635 | |
| 35 | G | A | -1.0229 | |
| 36 | E | A | -1.1571 | |
| 37 | Q | A | -1.0843 | |
| 38 | E | A | -1.7715 | |
| 39 | A | A | -0.7905 | |
| 40 | I | A | 0.8085 | |
| 41 | L | A | 0.3376 | |
| 42 | R | A | -1.6825 | |
| 43 | G | A | -1.0731 | |
| 44 | N | A | -1.0866 | |
| 45 | A | A | -1.2593 | |
| 46 | A | A | -1.4927 | |
| 47 | D | A | -2.3518 | |
| 48 | A | A | -1.7699 | |
| 49 | E | A | -1.7053 | |
| 50 | S | A | -1.6006 | |
| 51 | F | A | -1.5431 | |
| 52 | R | A | -1.5275 | |
| 53 | Q | A | -1.5196 | |
| 54 | R | A | -1.5896 | |
| 55 | F | A | -0.8539 | |
| 56 | R | A | -1.3435 | |
| 57 | W | A | 0.2714 | |
| 58 | F | A | 0.2496 | |
| 59 | C | A | 0.7307 | |
| 60 | Y | A | 0.9770 | |
| 61 | S | A | -0.1532 | |
| 62 | E | A | -1.2178 | |
| 63 | V | A | -0.7358 | |
| 64 | A | A | -1.2104 | |
| 65 | G | A | -1.3421 | |
| 66 | P | A | -1.3205 | |
| 67 | R | A | -2.6457 | |
| 68 | K | A | -2.0752 | |
| 69 | A | A | 0.0000 | |
| 70 | L | A | -0.5718 | |
| 71 | S | A | -1.1154 | |
| 72 | Q | A | -1.1216 | |
| 73 | L | A | -0.4275 | |
| 74 | W | A | 0.0287 | |
| 75 | E | A | -1.4507 | |
| 76 | L | A | -1.1261 | |
| 77 | C | A | -0.9561 | |
| 78 | N | A | -2.0023 | |
| 79 | Q | A | -1.7785 | |
| 80 | W | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | R | A | -1.4034 | |
| 83 | P | A | -1.5039 | |
| 84 | D | A | -1.4328 | |
| 85 | I | A | 0.4759 | |
| 86 | H | A | -0.9135 | |
| 87 | T | A | -1.7599 | |
| 88 | K | A | -2.6030 | |
| 89 | E | A | -3.1584 | |
| 90 | Q | A | -1.9386 | |
| 91 | I | A | -0.9075 | |
| 92 | L | A | -0.6421 | |
| 93 | E | A | -1.1959 | |
| 94 | L | A | -0.1851 | |
| 95 | L | A | 0.4973 | |
| 96 | V | A | 0.0000 | |
| 97 | F | A | -0.5231 | |
| 98 | E | A | 0.0000 | |
| 99 | Q | A | -0.5902 | |
| 100 | F | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | T | A | -0.1740 | |
| 103 | I | A | 0.2873 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | -0.4206 | |
| 106 | G | A | -0.8486 | |
| 107 | E | A | -1.6907 | |
| 108 | I | A | 0.0000 | |
| 109 | R | A | -0.5733 | |
| 110 | I | A | 0.5049 | |
| 111 | W | A | -0.2787 | |
| 112 | V | A | 0.0000 | |
| 113 | K | A | -1.7860 | |
| 114 | S | A | -0.9945 | |
| 115 | Q | A | -1.6520 | |
| 116 | H | A | -2.3710 | |
| 117 | P | A | -2.3363 | |
| 118 | E | A | -2.6668 | |
| 119 | S | A | -1.9428 | |
| 120 | S | A | -1.7889 | |
| 121 | E | A | -2.6079 | |
| 122 | E | A | -2.2004 | |
| 123 | V | A | 0.0000 | |
| 124 | V | A | -1.4403 | |
| 125 | T | A | -1.3624 | |
| 126 | L | A | -1.2050 | |
| 127 | I | A | 0.0000 | |
| 128 | E | A | -1.8996 | |
| 129 | D | A | -2.5326 | |
| 130 | L | A | 0.0000 | |
| 131 | T | A | -2.3709 | |
| 132 | Q | A | -3.1767 | |
| 133 | M | A | -2.3624 | |
| 134 | L | A | 0.0000 | |
| 135 | E | A | -4.0264 | |
| 136 | E | A | -4.1390 | |
| 137 | K | A | -3.5638 | |
| 138 | D | A | -3.0680 | |
| 139 | P | A | -1.0795 | |
| 140 | V | A | 0.4157 | |
| 141 | S | A | -0.6850 | |
| 142 | Q | A | -1.8733 | |
| 143 | D | A | -2.1853 | |
| 144 | S | A | -1.0421 | |
| 145 | T | A | -0.0838 | |
| 146 | V | A | 0.9325 | |
| 147 | S | A | -0.4053 | |
| 148 | Q | A | -2.2671 | |
| 149 | E | A | -3.4483 | |
| 150 | E | A | -3.6042 | |
| 151 | N | A | -2.8685 | |
| 152 | S | A | -2.2895 | |
| 153 | K | A | -3.3164 | |
| 154 | E | A | -3.8055 | |
| 155 | D | A | -3.4745 | |
| 156 | K | A | -2.0149 | |
| 157 | M | A | 0.6252 | |
| 158 | V | A | 2.1493 | |
| 159 | T | A | 1.8891 | |
| 160 | V | A | 2.4905 | |
| 161 | C | A | 1.3313 | |
| 162 | P | A | -0.3507 | |
| 163 | N | A | -1.5401 | |
| 164 | T | A | -1.4725 | |
| 165 | E | A | -2.3545 | |
| 166 | S | A | -1.4174 | |
| 167 | C | A | -0.7740 | |
| 168 | E | A | -1.9973 | |
| 169 | S | A | -0.7800 | |
| 170 | I | A | -0.4670 | |
| 171 | T | A | -0.7751 | |
| 172 | L | A | -0.5571 | |
| 173 | K | A | -1.4518 | |
| 174 | D | A | -0.8400 | |
| 175 | V | A | -0.2218 | |
| 176 | A | A | 0.3077 | |
| 177 | V | A | 1.2710 | |
| 178 | N | A | -0.4575 | |
| 179 | F | A | -0.4068 | |
| 180 | S | A | -1.7083 | |
| 181 | R | A | -2.8459 | |
| 182 | G | A | -2.5843 | |
| 183 | E | A | -3.2141 | |
| 184 | W | A | -2.8413 | |
| 185 | K | A | -3.6783 | |
| 186 | K | A | -3.7329 | |
| 187 | L | A | -2.4117 | |
| 188 | E | A | -2.3873 | |
| 189 | P | A | -1.0492 | |
| 190 | F | A | 0.6096 | |
| 191 | Q | A | -0.8525 | |
| 192 | K | A | -1.4871 | |
| 193 | E | A | -1.5623 | |
| 194 | L | A | 0.3564 | |
| 195 | Y | A | -0.1260 | |
| 196 | K | A | -1.4381 | |
| 197 | E | A | -2.0014 | |
| 198 | V | A | -0.4702 | |
| 199 | L | A | 0.0000 | |
| 200 | L | A | -1.3181 | |
| 201 | E | A | -3.0806 | |
| 202 | N | A | -2.0736 | |
| 203 | L | A | 0.0000 | |
| 204 | R | A | -2.8532 | |
| 205 | N | A | -2.3155 | |
| 206 | L | A | 0.0000 | |
| 207 | E | A | -2.1726 | |
| 208 | F | A | 0.2990 | |
| 209 | L | A | 0.5899 | |
| 210 | D | A | -1.0345 | |
| 211 | F | A | -0.3464 | |
| 212 | P | A | -0.7877 | |
| 213 | V | A | -0.9128 | |
| 214 | S | A | -0.7694 | |
| 215 | K | A | -1.2961 | |
| 216 | L | A | 0.1716 | |
| 217 | E | A | -1.3563 | |
| 218 | L | A | -0.5185 | |
| 219 | I | A | 0.1019 | |
| 220 | S | A | -0.2813 | |
| 221 | Q | A | 0.0000 | |
| 222 | L | A | 0.2202 | |
| 223 | K | A | -0.3340 | |
| 224 | W | A | 0.5934 | |
| 225 | V | A | 0.0711 | |
| 226 | E | A | 0.0866 | |
| 227 | L | A | 1.2225 | |
| 228 | P | A | 0.4774 | |
| 229 | W | A | 0.5016 | |
| 230 | L | A | 0.0000 | |
| 231 | L | A | 0.1054 | |
| 232 | E | A | -2.0498 | |
| 233 | E | A | -2.4642 | |
| 234 | V | A | -1.0929 | |
| 235 | S | A | -1.6348 | |
| 236 | K | A | -2.7893 | |
| 237 | S | A | -1.8107 | |
| 238 | S | A | -1.7455 | |
| 239 | R | A | -2.4795 | |
| 240 | L | A | -1.6481 | |
| 241 | D | A | -3.0422 | |
| 242 | E | A | -3.3620 | |
| 243 | S | A | -2.2570 | |
| 244 | A | A | -2.1867 | |
| 245 | L | A | -2.0336 | |
| 246 | D | A | -3.3828 | |
| 247 | K | A | -3.1284 | |
| 248 | I | A | -1.4354 | |
| 249 | I | A | -1.0608 | |
| 250 | E | A | -3.1331 | |
| 251 | R | A | -3.4416 | |
| 252 | C | A | -1.5840 | |
| 253 | L | A | -1.5427 | |
| 254 | R | A | -4.0614 | |
| 255 | D | A | -4.3190 | |
| 256 | D | A | -4.0437 | |
| 257 | D | A | -3.5303 | |
| 258 | H | A | -2.6879 | |
| 259 | G | A | -1.0038 | |
| 260 | L | A | 0.3554 | |
| 261 | M | A | -0.3134 | |
| 262 | E | A | -2.4071 | |
| 263 | E | A | -2.8640 | |
| 264 | S | A | -1.9704 | |
| 265 | Q | A | -2.1582 | |
| 266 | Q | A | -1.7495 | |
| 267 | Y | A | 0.6080 | |
| 268 | C | A | 0.3792 | |
| 269 | G | A | -0.1884 | |
| 270 | S | A | -1.0454 | |
| 271 | S | A | -2.0084 | |
| 272 | E | A | -3.6076 | |
| 273 | E | A | -3.9905 | |
| 274 | D | A | -4.0200 | |
| 275 | H | A | -3.3459 | |
| 276 | G | A | -2.6923 | |
| 277 | N | A | -2.8739 | |
| 278 | Q | A | -2.6034 | |
| 279 | G | A | -2.3402 | |
| 280 | N | A | -2.6158 | |
| 281 | S | A | -2.3109 | |
| 282 | K | A | -2.7667 | |
| 283 | G | A | -1.9240 | |
| 284 | R | A | -1.8430 | |
| 285 | V | A | 0.0793 | |
| 286 | A | A | -0.7624 | |
| 287 | Q | A | -1.9807 | |
| 288 | N | A | -2.4585 | |
| 289 | K | A | -2.4877 | |
| 290 | T | A | -1.0776 | |
| 291 | L | A | -0.3270 | |
| 292 | G | A | -1.3908 | |
| 293 | S | A | -1.4663 | |
| 294 | G | A | -1.5115 | |
| 295 | S | A | -1.7214 | |
| 296 | R | A | -2.9098 | |
| 297 | G | A | -2.3954 | |
| 298 | K | A | -3.0303 | |
| 299 | K | A | -2.2855 | |
| 300 | F | A | -0.6218 | |
| 301 | D | A | -2.3496 | |
| 302 | P | A | -2.0389 | |
| 303 | D | A | -2.9584 | |
| 304 | K | A | -2.8732 | |
| 305 | S | A | -1.7924 | |
| 306 | P | A | -1.2110 | |
| 307 | F | A | 0.0000 | |
| 308 | G | A | -1.5535 | |
| 309 | H | A | -1.8729 | |
| 310 | N | A | -2.1875 | |
| 311 | F | A | -1.6084 | |
| 312 | K | A | -3.0102 | |
| 313 | E | A | -3.3138 | |
| 314 | T | A | -2.1315 | |
| 315 | S | A | 0.0000 | |
| 316 | D | A | -3.0099 | |
| 317 | L | A | -1.5724 | |
| 318 | I | A | 0.0000 | |
| 319 | K | A | -1.6866 | |
| 320 | H | A | -1.2665 | |
| 321 | L | A | 0.0000 | |
| 322 | R | A | -1.3364 | |
| 323 | V | A | -0.5490 | |
| 324 | Y | A | -0.5670 | |
| 325 | L | A | 0.0000 | |
| 326 | R | A | -3.1893 | |
| 327 | K | A | -3.2757 | |
| 328 | K | A | -2.7073 | |
| 329 | S | A | -3.3247 | |
| 330 | R | A | -4.6138 | |
| 331 | R | A | -4.3706 | |
| 332 | Y | A | -3.1800 | |
| 333 | N | A | -3.7822 | |
| 334 | E | A | -4.1196 | |
| 335 | S | A | -3.0507 | |
| 336 | K | A | -3.4906 | |
| 337 | K | A | -2.7208 | |
| 338 | P | A | -0.5267 | |
| 339 | F | A | 1.2752 | |
| 340 | S | A | 1.0002 | |
| 341 | F | A | 1.7116 | |
| 342 | H | A | -0.2055 | |
| 343 | S | A | -0.2655 | |
| 344 | D | A | -0.4709 | |
| 345 | L | A | 1.8685 | |
| 346 | V | A | 2.1759 | |
| 347 | L | A | 1.2869 | |
| 348 | N | A | -1.3816 | |
| 349 | R | A | -3.2693 | |
| 350 | K | A | -4.0511 | |
| 351 | E | A | -4.1056 | |
| 352 | K | A | -3.2794 | |
| 353 | T | A | -1.8498 | |
| 354 | A | A | -1.2506 | |
| 355 | G | A | -1.8925 | |
| 356 | E | A | -2.9117 | |
| 357 | K | A | -3.1991 | |
| 358 | S | A | -2.7704 | |
| 359 | R | A | -3.2113 | |
| 360 | K | A | -3.0224 | |
| 361 | S | A | -2.4939 | |
| 362 | N | A | -2.7544 | |
| 363 | D | A | -2.8136 | |
| 364 | G | A | -2.0272 | |
| 365 | G | A | -1.3361 | |
| 366 | K | A | -0.7211 | |
| 367 | V | A | 1.3287 | |
| 368 | L | A | 1.6350 | |
| 369 | S | A | 0.2615 | |
| 370 | H | A | -0.7288 | |
| 371 | S | A | -0.4522 | |
| 372 | S | A | -0.1680 | |
| 373 | A | A | -0.0144 | |
| 374 | L | A | 0.3202 | |
| 375 | T | A | -1.3653 | |
| 376 | E | A | -3.4632 | |
| 377 | H | A | -3.5839 | |
| 378 | Q | A | -3.3265 | |
| 379 | K | A | -4.1150 | |
| 380 | R | A | -4.3606 | |
| 381 | Q | A | -3.5392 | |
| 382 | K | A | -2.6329 | |
| 383 | I | A | -0.2107 | |
| 384 | H | A | -0.3838 | |
| 385 | L | A | 0.2208 | |
| 386 | G | A | -0.7693 | |
| 387 | D | A | -2.1130 | |
| 388 | R | A | -1.9815 | |
| 389 | S | A | -0.5902 | |
| 390 | Q | A | -0.5600 | |
| 391 | K | A | -0.7333 | |
| 392 | C | A | 0.0000 | |
| 393 | S | A | -0.9511 | |
| 394 | K | A | -1.8469 | |
| 395 | C | A | -0.3201 | |
| 396 | G | A | 0.0872 | |
| 397 | I | A | 1.3044 | |
| 398 | I | A | 2.0760 | |
| 399 | F | A | 1.1292 | |
| 400 | I | A | 0.5630 | |
| 401 | R | A | -0.8986 | |
| 402 | R | A | -1.7682 | |
| 403 | S | A | -0.6045 | |
| 404 | T | A | -0.3978 | |
| 405 | L | A | -0.2325 | |
| 406 | S | A | -1.5056 | |
| 407 | R | A | -2.9827 | |
| 408 | R | A | -3.3184 | |
| 409 | K | A | -2.6755 | |
| 410 | T | A | -1.9033 | |
| 411 | P | A | -1.5099 | |
| 412 | M | A | -1.6388 | |
| 413 | C | A | 0.0000 | |
| 414 | E | A | -3.9091 | |
| 415 | K | A | -3.9488 | |
| 416 | C | A | 0.0000 | |
| 417 | R | A | -4.7571 | |
| 418 | K | A | -4.7615 | |
| 419 | D | A | -4.5464 | |
| 420 | S | A | -3.2349 | |
| 421 | C | A | -2.2929 | |
| 422 | Q | A | -2.7468 | |
| 423 | E | A | -2.9451 | |
| 424 | A | A | -2.1514 | |
| 425 | A | A | -1.4320 | |
| 426 | L | A | -0.6483 | |
| 427 | N | A | -3.0007 | |
| 428 | K | A | -3.9550 | |
| 429 | D | A | -3.9909 | |
| 430 | E | A | -4.2052 | |
| 431 | G | A | -3.6174 | |
| 432 | N | A | -4.1041 | |
| 433 | E | A | -3.6599 | |
| 434 | S | A | -2.3712 | |
| 435 | G | A | -2.7297 | |
| 436 | E | A | -3.4204 | |
| 437 | K | A | -3.5598 | |
| 438 | T | A | -1.9139 | |
| 439 | H | A | -1.7891 | |
| 440 | K | A | -2.5763 | |
| 441 | C | A | 0.0000 | |
| 442 | S | A | -1.7625 | |
| 443 | K | A | -2.2370 | |
| 444 | C | A | -1.2479 | |
| 445 | G | A | -1.4885 | |
| 446 | K | A | -2.0722 | |
| 447 | A | A | -1.9155 | |
| 448 | F | A | -1.2229 | |
| 449 | G | A | -1.2363 | |
| 450 | Y | A | 0.3743 | |
| 451 | S | A | -0.1273 | |
| 452 | A | A | -0.0501 | |
| 453 | S | A | -0.1972 | |
| 454 | L | A | -0.8616 | |
| 455 | T | A | -0.5990 | |
| 456 | K | A | -1.3660 | |
| 457 | H | A | -0.7406 | |
| 458 | R | A | -1.6505 | |
| 459 | R | A | -1.2885 | |
| 460 | I | A | 0.5309 | |
| 461 | H | A | -0.5254 | |
| 462 | T | A | -0.8826 | |
| 463 | G | A | -1.1207 | |
| 464 | E | A | -2.3893 | |
| 465 | K | A | -1.9115 | |
| 466 | P | A | -0.9099 | |
| 467 | Y | A | -0.3083 | |
| 468 | M | A | -0.1668 | |
| 469 | C | A | 0.0000 | |
| 470 | N | A | -2.1663 | |
| 471 | E | A | -2.5763 | |
| 472 | C | A | -1.4000 | |
| 473 | G | A | -1.5359 | |
| 474 | K | A | -1.8927 | |
| 475 | A | A | -1.0194 | |
| 476 | F | A | -0.8291 | |
| 477 | S | A | -1.1119 | |
| 478 | D | A | -0.9448 | |
| 479 | S | A | -0.3015 | |
| 480 | S | A | -0.3482 | |
| 481 | S | A | -0.2650 | |
| 482 | L | A | -0.1652 | |
| 483 | T | A | -0.3711 | |
| 484 | P | A | -0.7651 | |
| 485 | H | A | -0.8367 | |
| 486 | H | A | -1.5764 | |
| 487 | R | A | -1.8624 | |
| 488 | T | A | -1.4326 | |
| 489 | H | A | -1.5263 | |
| 490 | S | A | -1.6793 | |
| 491 | G | A | -2.0799 | |
| 492 | E | A | -3.0962 | |
| 493 | K | A | -3.1314 | |
| 494 | P | A | -1.6437 | |
| 495 | F | A | -1.2508 | |
| 496 | K | A | -2.9411 | |
| 497 | C | A | 0.0000 | |
| 498 | D | A | -3.3039 | |
| 499 | D | A | -3.1437 | |
| 500 | C | A | -1.9205 | |
| 501 | G | A | -2.2652 | |
| 502 | K | A | -2.7854 | |
| 503 | G | A | -2.5188 | |
| 504 | F | A | -1.2931 | |
| 505 | T | A | -1.2536 | |
| 506 | L | A | 0.1298 | |
| 507 | S | A | -0.0280 | |
| 508 | A | A | 0.1916 | |
| 509 | H | A | -0.4117 | |
| 510 | L | A | -0.6541 | |
| 511 | I | A | 1.0767 | |
| 512 | K | A | -0.9138 | |
| 513 | H | A | -0.3291 | |
| 514 | Q | A | -0.8447 | |
| 515 | R | A | -0.8653 | |
| 516 | I | A | 0.7527 | |
| 517 | H | A | -0.4785 | |
| 518 | T | A | -1.0313 | |
| 519 | G | A | -1.1398 | |
| 520 | E | A | -2.6420 | |
| 521 | K | A | -2.6287 | |
| 522 | P | A | -1.9504 | |
| 523 | Y | A | -1.6725 | |
| 524 | K | A | -2.9042 | |
| 525 | C | A | 0.0000 | |
| 526 | K | A | -3.2210 | |
| 527 | D | A | -3.0302 | |
| 528 | C | A | -1.9713 | |
| 529 | G | A | -2.2278 | |
| 530 | R | A | -2.7605 | |
| 531 | P | A | -2.3448 | |
| 532 | F | A | -1.5266 | |
| 533 | S | A | -1.5940 | |
| 534 | D | A | -1.2000 | |
| 535 | S | A | -0.3028 | |
| 536 | S | A | 0.0875 | |
| 537 | S | A | 0.0804 | |
| 538 | L | A | 0.0000 | |
| 539 | I | A | 1.2078 | |
| 540 | Q | A | 0.2311 | |
| 541 | H | A | 0.1928 | |
| 542 | Q | A | -0.4101 | |
| 543 | R | A | -0.5439 | |
| 544 | I | A | 0.7688 | |
| 545 | H | A | -0.5424 | |
| 546 | T | A | -0.9463 | |
| 547 | G | A | -1.0411 | |
| 548 | E | A | -2.2912 | |
| 549 | K | A | -2.2662 | |
| 550 | P | A | -1.2297 | |
| 551 | Y | A | -0.6713 | |
| 552 | T | A | -0.8501 | |
| 553 | C | A | 0.0000 | |
| 554 | S | A | -1.0889 | |
| 555 | N | A | -1.6274 | |
| 556 | C | A | -0.8660 | |
| 557 | G | A | -1.1724 | |
| 558 | K | A | -1.6786 | |
| 559 | S | A | -1.3499 | |
| 560 | F | A | -1.1477 | |
| 561 | S | A | -1.1130 | |
| 562 | H | A | -1.1340 | |
| 563 | S | A | -0.7656 | |
| 564 | S | A | -0.8271 | |
| 565 | S | A | -0.8402 | |
| 566 | L | A | -0.9592 | |
| 567 | S | A | -1.0191 | |
| 568 | K | A | -1.8530 | |
| 569 | H | A | -1.2372 | |
| 570 | Q | A | -1.5317 | |
| 571 | R | A | -1.7599 | |
| 572 | I | A | 0.0137 | |
| 573 | H | A | -0.6491 | |
| 574 | T | A | -1.0539 | |
| 575 | G | A | -1.4230 | |
| 576 | E | A | -2.7658 | |
| 577 | K | A | -2.6393 | |
| 578 | P | A | -1.7553 | |
| 579 | Y | A | -1.5631 | |
| 580 | K | A | -2.5065 | |
| 581 | C | A | 0.0000 | |
| 582 | G | A | -1.9162 | |
| 583 | E | A | -2.3901 | |
| 584 | C | A | -1.2395 | |
| 585 | G | A | -1.5036 | |
| 586 | K | A | -1.8572 | |
| 587 | A | A | -1.9096 | |
| 588 | F | A | -1.6030 | |
| 589 | R | A | -1.9363 | |
| 590 | Q | A | -1.6895 | |
| 591 | N | A | -1.5477 | |
| 592 | S | A | -1.0203 | |
| 593 | C | A | -0.8678 | |
| 594 | L | A | -1.3798 | |
| 595 | T | A | -1.0045 | |
| 596 | R | A | -1.8302 | |
| 597 | H | A | -0.8947 | |
| 598 | Q | A | -1.4309 | |
| 599 | R | A | -1.5086 | |
| 600 | I | A | 0.4647 | |
| 601 | H | A | -0.5367 | |
| 602 | T | A | -0.9097 | |
| 603 | G | A | -1.2208 | |
| 604 | E | A | -2.7529 | |
| 605 | K | A | -1.6486 | |
| 606 | P | A | -0.6986 | |
| 607 | Y | A | 0.8472 | |
| 608 | L | A | 1.1152 | |
| 609 | C | A | 0.0000 | |
| 610 | N | A | -1.7180 | |
| 611 | D | A | -2.3064 | |
| 612 | C | A | -0.8078 | |
| 613 | G | A | -0.3513 | |
| 614 | M | A | 0.4964 | |
| 615 | T | A | 0.3332 | |
| 616 | F | A | 0.1763 | |
| 617 | S | A | -0.7347 | |
| 618 | H | A | 0.0261 | |
| 619 | F | A | 2.0497 | |
| 620 | T | A | 1.0630 | |
| 621 | S | A | 0.7476 | |
| 622 | V | A | 0.0000 | |
| 623 | I | A | 1.0533 | |
| 624 | Y | A | 0.7550 | |
| 625 | H | A | 0.0000 | |
| 626 | Q | A | -1.0687 | |
| 627 | R | A | -0.8798 | |
| 628 | L | A | 0.3431 | |
| 629 | H | A | -0.9129 | |
| 630 | S | A | -1.3573 | |
| 631 | G | A | -1.2513 | |
| 632 | E | A | -2.1944 | |
| 633 | K | A | -2.2560 | |
| 634 | P | A | -1.4488 | |
| 635 | Y | A | -1.4605 | |
| 636 | K | A | -2.9868 | |
| 637 | C | A | 0.0000 | |
| 638 | N | A | -2.7621 | |
| 639 | Q | A | -2.6701 | |
| 640 | C | A | -2.4553 | |
| 641 | E | A | -3.2509 | |
| 642 | K | A | -3.0350 | |
| 643 | A | A | -2.3668 | |
| 644 | F | A | -1.2074 | |
| 645 | P | A | -0.8080 | |
| 646 | T | A | -0.7486 | |
| 647 | H | A | -1.2789 | |
| 648 | S | A | -0.7064 | |
| 649 | L | A | -0.3572 | |
| 650 | L | A | -1.3030 | |
| 651 | S | A | -0.7958 | |
| 652 | R | A | -1.2092 | |
| 653 | H | A | 0.0000 | |
| 654 | Q | A | -0.6464 | |
| 655 | R | A | -0.2448 | |
| 656 | I | A | 1.1776 | |
| 657 | H | A | 0.1374 | |
| 658 | T | A | 0.1792 | |
| 659 | G | A | 0.2489 | |
| 660 | V | A | 0.5966 | |
| 661 | K | A | -1.2769 | |
| 662 | P | A | -0.9298 | |
| 663 | Y | A | -1.5375 | |
| 664 | K | A | -3.0325 | |
| 665 | C | A | 0.0000 | |
| 666 | K | A | -3.2287 | |
| 667 | E | A | -3.0658 | |
| 668 | C | A | -1.7987 | |
| 669 | G | A | -2.2009 | |
| 670 | K | A | -2.7400 | |
| 671 | S | A | -1.9667 | |
| 672 | F | A | -1.3319 | |
| 673 | S | A | -0.9168 | |
| 674 | Q | A | -1.6577 | |
| 675 | S | A | -1.4109 | |
| 676 | S | A | -1.3169 | |
| 677 | S | A | -1.2567 | |
| 678 | L | A | -1.8128 | |
| 679 | N | A | -2.0329 | |
| 680 | E | A | -2.4436 | |
| 681 | H | A | 0.0000 | |
| 682 | H | A | -1.7032 | |
| 683 | R | A | -1.7400 | |
| 684 | I | A | 0.3677 | |
| 685 | H | A | -0.5933 | |
| 686 | T | A | -0.9175 | |
| 687 | G | A | -1.3071 | |
| 688 | E | A | -2.9274 | |
| 689 | K | A | -2.8939 | |
| 690 | P | A | -2.0107 | |
| 691 | Y | A | -1.3946 | |
| 692 | E | A | -2.1886 | |
| 693 | C | A | 0.0000 | |
| 694 | N | A | -0.9399 | |
| 695 | Y | A | 0.8442 | |
| 696 | C | A | 0.4239 | |
| 697 | G | A | -0.5629 | |
| 698 | A | A | -0.5906 | |
| 699 | T | A | -1.5546 | |
| 700 | F | A | -1.1103 | |
| 701 | S | A | -1.7937 | |
| 702 | R | A | -1.6421 | |
| 703 | S | A | -0.6178 | |
| 704 | S | A | -0.0368 | |
| 705 | I | A | 0.3251 | |
| 706 | L | A | -0.0781 | |
| 707 | V | A | 0.9126 | |
| 708 | E | A | -0.8936 | |
| 709 | H | A | 0.1612 | |
| 710 | L | A | 0.4822 | |
| 711 | K | A | -1.3151 | |
| 712 | I | A | 0.5499 | |
| 713 | H | A | 0.1842 | |
| 714 | T | A | -0.9657 | |
| 715 | G | A | -1.9004 | |
| 716 | R | A | -3.5623 | |
| 717 | R | A | -4.5561 | |
| 718 | E | A | -3.9945 | |
| 719 | Y | A | -2.8569 | |
| 720 | E | A | -4.0068 | |
| 721 | C | A | 0.0000 | |
| 722 | N | A | -3.1224 | |
| 723 | E | A | -2.8386 | |
| 724 | C | A | -2.3283 | |
| 725 | E | A | -3.4829 | |
| 726 | K | A | -3.2293 | |
| 727 | T | A | -3.4017 | |
| 728 | F | A | -2.6278 | |
| 729 | K | A | -3.5477 | |
| 730 | S | A | -2.1318 | |
| 731 | N | A | -1.5325 | |
| 732 | S | A | -0.6181 | |
| 733 | G | A | -0.8139 | |
| 734 | L | A | 0.0000 | |
| 735 | I | A | 0.6348 | |
| 736 | R | A | -1.2086 | |
| 737 | H | A | -0.8565 | |
| 738 | R | A | -1.0501 | |
| 739 | G | A | -0.4682 | |
| 740 | F | A | 0.6208 | |
| 741 | H | A | -0.8907 | |
| 742 | S | A | -0.6560 | |
| 743 | A | A | -0.5598 | |
| 744 | E | A | -1.5374 |
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 | -1.3095 | 4.4336 | View | CSV | PDB |
| 4.5 | -1.4158 | 4.2456 | View | CSV | PDB |
| 5.0 | -1.5484 | 4.2356 | View | CSV | PDB |
| 5.5 | -1.6737 | 4.3047 | View | CSV | PDB |
| 6.0 | -1.7593 | 4.3909 | View | CSV | PDB |
| 6.5 | -1.7849 | 4.4696 | View | CSV | PDB |
| 7.0 | -1.7513 | 4.533 | View | CSV | PDB |
| 7.5 | -1.6774 | 4.5871 | View | CSV | PDB |
| 8.0 | -1.583 | 4.6373 | View | CSV | PDB |
| 8.5 | -1.4779 | 4.8292 | View | CSV | PDB |
| 9.0 | -1.3644 | 5.0163 | 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