| Chain sequence(s) |
A: MGQVVQFKLSDIGEGIREVTVKEWYVKEGDTVSQFDSICEVQSDKASVTITSRYDGVIKKLYYNLDDIAYVGKPLVDIETEALKDSEEDVVETPAVSHDEHTHQEIKGRKTLATPAVRRLAMENNIKLSEVVGSGKDGRILKEDILNYLEKQTGAILPPSPKVEIMPPPPKPKDMTVPILVSKPPVFTGKDKTEPIKGFQKAMVKTMSAALKIPHFGYCDEIDLTELVKLREELKPIAFARGIKLSFMPFFLKAASLGLLQFPILNASVDENCQNITYKASHNIGIAMDTEQGLIVPNVKNVQICSIFDIATELNRLQKLGSVSQLSTTDLTGGTFTLSNIGSIGGTFAKPVIMPPEVAIGALGSIKAIPRFNQKGEVYKAQIMNVSWSADHRVIDGATMSRFSNLWKSYLENPAFMLLDLKGSGSLPPHQKVPLPSLSPTMQAGTIARWEKKEGDKINEGDLIAEVETDKATVGFESLEECYMAKILVAEGTRDVPIGAIICITVGKPEDIEAFKNYTLDSSAAPTPQAAPAPTPAATASPPTPSAQAPGSSYPPHMQVLLPALSPTMTMGTVQRWEKKVGEKLSEGDLLAEIETDKATIGFEVQEEGYLAKILVPEGTRDVPLGTPLCIIVEKEADISAFADYRPTEVTDLKPQVPPPTPPPVAAVPPTPQPLAPTPSAPCPATPAGPKGRVFVSPLAKKLAVEKGIDLTQVKGTGPDGRITKKDIDSFVPSKVAPAPAAVVPPTGPGMAPVPTGGSDDLVTVKTPAFAESVTEGDVRWEKAVGDTVAEDEVVCEIETDKTSVQVPSPANGVIEALLVPDGGKVEGGTPLFTLRKTGAGSGHHHHHH
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 (00:09:21)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d6215c84a6c801a/tmp/folded.pdb (00:09:21)
[INFO] Main: Simulation completed successfully. (00:13:17)
|
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 | 0.4785 | |
| 2 | G | A | -0.4788 | |
| 3 | Q | A | -1.0742 | |
| 4 | V | A | -0.4943 | |
| 5 | V | A | -0.6198 | |
| 6 | Q | A | -1.9285 | |
| 7 | F | A | 0.0000 | |
| 8 | K | A | -2.5446 | |
| 9 | L | A | 0.0000 | |
| 10 | S | A | -1.6600 | |
| 11 | D | A | -2.6542 | |
| 12 | I | A | -1.2727 | |
| 13 | G | A | -1.8568 | |
| 14 | E | A | -2.5648 | |
| 15 | G | A | -2.1609 | |
| 16 | I | A | -2.6386 | |
| 17 | R | A | -2.9958 | |
| 18 | E | A | -2.6596 | |
| 19 | V | A | 0.0000 | |
| 20 | T | A | -1.6413 | |
| 21 | V | A | 0.0000 | |
| 22 | K | A | -2.3460 | |
| 23 | E | A | -1.9254 | |
| 24 | W | A | -0.6269 | |
| 25 | Y | A | -0.0614 | |
| 26 | V | A | -0.9168 | |
| 27 | K | A | -2.4770 | |
| 28 | E | A | -2.7897 | |
| 29 | G | A | -2.0715 | |
| 30 | D | A | -1.6420 | |
| 31 | T | A | -1.0418 | |
| 32 | V | A | 0.0000 | |
| 33 | S | A | -0.9757 | |
| 34 | Q | A | -1.3727 | |
| 35 | F | A | 0.3680 | |
| 36 | D | A | -0.6124 | |
| 37 | S | A | -0.2490 | |
| 38 | I | A | 0.0000 | |
| 39 | C | A | 0.0000 | |
| 40 | E | A | -1.0659 | |
| 41 | V | A | 0.0000 | |
| 42 | Q | A | -2.1931 | |
| 43 | S | A | 0.0000 | |
| 44 | D | A | -2.9762 | |
| 45 | K | A | -2.6292 | |
| 46 | A | A | -1.3907 | |
| 47 | S | A | -1.0843 | |
| 48 | V | A | -0.1523 | |
| 49 | T | A | -0.3914 | |
| 50 | I | A | 0.0000 | |
| 51 | T | A | -0.2263 | |
| 52 | S | A | 0.0000 | |
| 53 | R | A | -1.8620 | |
| 54 | Y | A | -1.1904 | |
| 55 | D | A | -1.5366 | |
| 56 | G | A | -1.3282 | |
| 57 | V | A | -1.0259 | |
| 58 | I | A | 0.0000 | |
| 59 | K | A | -2.2332 | |
| 60 | K | A | -2.0568 | |
| 61 | L | A | -0.9361 | |
| 62 | Y | A | -0.0955 | |
| 63 | Y | A | -0.3123 | |
| 64 | N | A | -1.3071 | |
| 65 | L | A | -0.9285 | |
| 66 | D | A | -2.3207 | |
| 67 | D | A | -1.3912 | |
| 68 | I | A | -0.3203 | |
| 69 | A | A | 0.0000 | |
| 70 | Y | A | -1.0870 | |
| 71 | V | A | -1.8419 | |
| 72 | G | A | -2.0938 | |
| 73 | K | A | -2.1507 | |
| 74 | P | A | -1.6414 | |
| 75 | L | A | 0.0000 | |
| 76 | V | A | 0.0000 | |
| 77 | D | A | -1.2599 | |
| 78 | I | A | 0.0000 | |
| 79 | E | A | -1.1040 | |
| 80 | T | A | -0.8794 | |
| 81 | E | A | -1.7474 | |
| 82 | A | A | -0.9146 | |
| 83 | L | A | -0.3256 | |
| 84 | K | A | -2.2502 | |
| 85 | D | A | -3.0658 | |
| 86 | S | A | -2.7983 | |
| 87 | E | A | -3.6955 | |
| 88 | E | A | -3.1061 | |
| 89 | D | A | -2.0587 | |
| 90 | V | A | 0.4877 | |
| 91 | V | A | 1.0030 | |
| 92 | E | A | -0.7653 | |
| 93 | T | A | -0.2213 | |
| 94 | P | A | -0.1322 | |
| 95 | A | A | 0.3769 | |
| 96 | V | A | 1.2117 | |
| 97 | S | A | -0.4954 | |
| 98 | H | A | -2.0952 | |
| 99 | D | A | -3.2738 | |
| 100 | E | A | -3.5684 | |
| 101 | H | A | -2.8312 | |
| 102 | T | A | -2.2324 | |
| 103 | H | A | -2.2393 | |
| 104 | Q | A | -2.3643 | |
| 105 | E | A | -2.1741 | |
| 106 | I | A | -0.4281 | |
| 107 | K | A | -2.1682 | |
| 108 | G | A | -2.3152 | |
| 109 | R | A | -2.9877 | |
| 110 | K | A | -2.8822 | |
| 111 | T | A | -1.4116 | |
| 112 | L | A | -1.0583 | |
| 113 | A | A | 0.0000 | |
| 114 | T | A | -0.6585 | |
| 115 | P | A | -0.8798 | |
| 116 | A | A | -0.9317 | |
| 117 | V | A | 0.0000 | |
| 118 | R | A | -1.8017 | |
| 119 | R | A | -2.4587 | |
| 120 | L | A | -1.6926 | |
| 121 | A | A | 0.0000 | |
| 122 | M | A | -1.5332 | |
| 123 | E | A | -2.5088 | |
| 124 | N | A | -2.0397 | |
| 125 | N | A | -2.2662 | |
| 126 | I | A | 0.0000 | |
| 127 | K | A | -2.4931 | |
| 128 | L | A | -1.1322 | |
| 129 | S | A | -1.7780 | |
| 130 | E | A | -1.9153 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 1.1353 | |
| 133 | G | A | -0.6837 | |
| 134 | S | A | -1.0967 | |
| 135 | G | A | -1.8404 | |
| 136 | K | A | -2.8481 | |
| 137 | D | A | -2.9176 | |
| 138 | G | A | -1.5717 | |
| 139 | R | A | -1.8631 | |
| 140 | I | A | 0.0000 | |
| 141 | L | A | -1.0861 | |
| 142 | K | A | -2.1751 | |
| 143 | E | A | -2.3983 | |
| 144 | D | A | -1.2850 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | -1.4553 | |
| 147 | N | A | -2.4102 | |
| 148 | Y | A | -1.4993 | |
| 149 | L | A | -1.7531 | |
| 150 | E | A | -2.5249 | |
| 151 | K | A | -3.0113 | |
| 152 | Q | A | -2.5939 | |
| 153 | T | A | -1.5204 | |
| 154 | G | A | -1.0453 | |
| 155 | A | A | 0.4078 | |
| 156 | I | A | 2.1043 | |
| 157 | L | A | 2.0236 | |
| 158 | P | A | 0.7829 | |
| 159 | P | A | -0.1343 | |
| 160 | S | A | -0.3964 | |
| 161 | P | A | -0.9803 | |
| 162 | K | A | -1.2560 | |
| 163 | V | A | 0.6734 | |
| 164 | E | A | -0.1836 | |
| 165 | I | A | 1.8082 | |
| 166 | M | A | 1.5912 | |
| 167 | P | A | 0.3685 | |
| 168 | P | A | -0.2578 | |
| 169 | P | A | -0.8723 | |
| 170 | P | A | -1.7063 | |
| 171 | K | A | -2.7700 | |
| 172 | P | A | -2.3071 | |
| 173 | K | A | -2.9220 | |
| 174 | D | A | -2.1694 | |
| 175 | M | A | 0.1347 | |
| 176 | T | A | 0.7559 | |
| 177 | V | A | 2.7510 | |
| 178 | P | A | 2.6416 | |
| 179 | I | A | 3.9108 | |
| 180 | L | A | 3.2807 | |
| 181 | V | A | 2.5047 | |
| 182 | S | A | 0.5590 | |
| 183 | K | A | -0.9249 | |
| 184 | P | A | -0.1063 | |
| 185 | P | A | 0.5125 | |
| 186 | V | A | 2.1374 | |
| 187 | F | A | 2.0106 | |
| 188 | T | A | 0.0683 | |
| 189 | G | A | -1.0177 | |
| 190 | K | A | -2.9138 | |
| 191 | D | A | -3.3559 | |
| 192 | K | A | -3.5241 | |
| 193 | T | A | -2.2564 | |
| 194 | E | A | -2.2255 | |
| 195 | P | A | -1.1032 | |
| 196 | I | A | -0.0052 | |
| 197 | K | A | -1.5789 | |
| 198 | G | A | -1.0336 | |
| 199 | F | A | 0.1966 | |
| 200 | Q | A | -0.6052 | |
| 201 | K | A | -1.1497 | |
| 202 | A | A | -0.4324 | |
| 203 | M | A | 0.2991 | |
| 204 | V | A | 0.6555 | |
| 205 | K | A | -1.0406 | |
| 206 | T | A | -0.1608 | |
| 207 | M | A | 0.5417 | |
| 208 | S | A | 0.0909 | |
| 209 | A | A | -0.4211 | |
| 210 | A | A | 0.0000 | |
| 211 | L | A | 0.7455 | |
| 212 | K | A | -1.3919 | |
| 213 | I | A | 0.0000 | |
| 214 | P | A | -0.7854 | |
| 215 | H | A | -0.7625 | |
| 216 | F | A | -0.8703 | |
| 217 | G | A | -0.6263 | |
| 218 | Y | A | 0.0513 | |
| 219 | C | A | 0.1757 | |
| 220 | D | A | -0.8217 | |
| 221 | E | A | -1.7186 | |
| 222 | I | A | 0.0000 | |
| 223 | D | A | -1.4363 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -1.6384 | |
| 226 | E | A | -2.5552 | |
| 227 | L | A | 0.0000 | |
| 228 | V | A | -1.8276 | |
| 229 | K | A | -3.0473 | |
| 230 | L | A | -2.2727 | |
| 231 | R | A | -2.2067 | |
| 232 | E | A | -3.2491 | |
| 233 | E | A | -2.8243 | |
| 234 | L | A | -0.9355 | |
| 235 | K | A | -1.5849 | |
| 236 | P | A | -0.4745 | |
| 237 | I | A | 0.8268 | |
| 238 | A | A | 0.0000 | |
| 239 | F | A | 0.2814 | |
| 240 | A | A | -0.1237 | |
| 241 | R | A | -1.4783 | |
| 242 | G | A | -1.0426 | |
| 243 | I | A | 0.0000 | |
| 244 | K | A | -1.6997 | |
| 245 | L | A | 0.0000 | |
| 246 | S | A | -0.7282 | |
| 247 | F | A | 0.2560 | |
| 248 | M | A | 0.2491 | |
| 249 | P | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | F | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | K | A | 0.0000 | |
| 254 | A | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | S | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | G | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | L | A | 0.1048 | |
| 261 | Q | A | -0.9203 | |
| 262 | F | A | -0.3482 | |
| 263 | P | A | 0.1890 | |
| 264 | I | A | 0.6913 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | 0.0000 | |
| 267 | A | A | 0.0000 | |
| 268 | S | A | -0.1453 | |
| 269 | V | A | 0.0000 | |
| 270 | D | A | -2.5091 | |
| 271 | E | A | -3.3958 | |
| 272 | N | A | -3.0776 | |
| 273 | C | A | -2.1000 | |
| 274 | Q | A | -2.3962 | |
| 275 | N | A | -1.8160 | |
| 276 | I | A | 0.4077 | |
| 277 | T | A | 0.4928 | |
| 278 | Y | A | 1.0404 | |
| 279 | K | A | 0.0476 | |
| 280 | A | A | -0.0121 | |
| 281 | S | A | -0.2777 | |
| 282 | H | A | 0.0000 | |
| 283 | N | A | -0.7851 | |
| 284 | I | A | 0.0000 | |
| 285 | G | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | A | A | -0.1207 | |
| 288 | M | A | 0.0000 | |
| 289 | D | A | -1.8725 | |
| 290 | T | A | -1.7521 | |
| 291 | E | A | -2.2309 | |
| 292 | Q | A | -1.5654 | |
| 293 | G | A | -1.0221 | |
| 294 | L | A | -0.2213 | |
| 295 | I | A | 0.0000 | |
| 296 | V | A | 0.3608 | |
| 297 | P | A | 0.0000 | |
| 298 | N | A | 0.0000 | |
| 299 | V | A | 0.0000 | |
| 300 | K | A | -0.8317 | |
| 301 | N | A | -0.3149 | |
| 302 | V | A | 0.0000 | |
| 303 | Q | A | 0.1100 | |
| 304 | I | A | 0.6385 | |
| 305 | C | A | 0.1626 | |
| 306 | S | A | 0.0857 | |
| 307 | I | A | 0.3086 | |
| 308 | F | A | -0.4693 | |
| 309 | D | A | -0.9218 | |
| 310 | I | A | 0.0000 | |
| 311 | A | A | 0.0000 | |
| 312 | T | A | -1.3005 | |
| 313 | E | A | -1.3348 | |
| 314 | L | A | -1.2374 | |
| 315 | N | A | -1.9617 | |
| 316 | R | A | -1.8761 | |
| 317 | L | A | 0.0000 | |
| 318 | Q | A | -2.1451 | |
| 319 | K | A | -2.2742 | |
| 320 | L | A | -1.0056 | |
| 321 | G | A | 0.0000 | |
| 322 | S | A | -0.9845 | |
| 323 | V | A | 0.5084 | |
| 324 | S | A | -0.5960 | |
| 325 | Q | A | -0.8498 | |
| 326 | L | A | -0.4684 | |
| 327 | S | A | -0.2226 | |
| 328 | T | A | -0.1291 | |
| 329 | T | A | -0.3062 | |
| 330 | D | A | 0.0000 | |
| 331 | L | A | 0.4125 | |
| 332 | T | A | -0.1737 | |
| 333 | G | A | -0.6368 | |
| 334 | G | A | -0.5019 | |
| 335 | T | A | 0.0000 | |
| 336 | F | A | 0.0000 | |
| 337 | T | A | 0.0000 | |
| 338 | L | A | 0.0000 | |
| 339 | S | A | -0.1520 | |
| 340 | N | A | -0.0635 | |
| 341 | I | A | 0.7104 | |
| 342 | G | A | 0.6480 | |
| 343 | S | A | 0.9032 | |
| 344 | I | A | 1.9538 | |
| 345 | G | A | 0.7577 | |
| 346 | G | A | 0.3917 | |
| 347 | T | A | 0.6346 | |
| 348 | F | A | 1.5101 | |
| 349 | A | A | 0.1924 | |
| 350 | K | A | -1.1572 | |
| 351 | P | A | -0.3525 | |
| 352 | V | A | 0.4009 | |
| 353 | I | A | 0.0000 | |
| 354 | M | A | 0.2450 | |
| 355 | P | A | -0.4625 | |
| 356 | P | A | -0.8247 | |
| 357 | E | A | 0.0000 | |
| 358 | V | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | I | A | 0.0000 | |
| 361 | G | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | L | A | 0.0000 | |
| 364 | G | A | 0.0000 | |
| 365 | S | A | 0.3249 | |
| 366 | I | A | 0.0700 | |
| 367 | K | A | -0.8719 | |
| 368 | A | A | -0.7923 | |
| 369 | I | A | -0.4469 | |
| 370 | P | A | -0.6198 | |
| 371 | R | A | -0.6689 | |
| 372 | F | A | 0.3958 | |
| 373 | N | A | -1.1582 | |
| 374 | Q | A | -1.9546 | |
| 375 | K | A | -2.4254 | |
| 376 | G | A | -1.4433 | |
| 377 | E | A | -1.0255 | |
| 378 | V | A | 0.7528 | |
| 379 | Y | A | 0.0783 | |
| 380 | K | A | -1.3286 | |
| 381 | A | A | 0.0000 | |
| 382 | Q | A | -1.0403 | |
| 383 | I | A | -0.8642 | |
| 384 | M | A | 0.0000 | |
| 385 | N | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | S | A | 0.0000 | |
| 388 | W | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | D | A | 0.0000 | |
| 392 | H | A | -1.8101 | |
| 393 | R | A | -1.4313 | |
| 394 | V | A | -0.5543 | |
| 395 | I | A | 0.0000 | |
| 396 | D | A | -2.0299 | |
| 397 | G | A | -1.3634 | |
| 398 | A | A | -1.0534 | |
| 399 | T | A | -1.2393 | |
| 400 | M | A | 0.0000 | |
| 401 | S | A | -1.4215 | |
| 402 | R | A | -2.4023 | |
| 403 | F | A | 0.0000 | |
| 404 | S | A | 0.0000 | |
| 405 | N | A | -1.9908 | |
| 406 | L | A | -1.2156 | |
| 407 | W | A | 0.0000 | |
| 408 | K | A | -1.5895 | |
| 409 | S | A | -0.8558 | |
| 410 | Y | A | 0.0000 | |
| 411 | L | A | 0.0000 | |
| 412 | E | A | -1.5457 | |
| 413 | N | A | -1.6347 | |
| 414 | P | A | 0.0000 | |
| 415 | A | A | 0.6626 | |
| 416 | F | A | 1.5934 | |
| 417 | M | A | 0.0000 | |
| 418 | L | A | 2.3514 | |
| 419 | L | A | 2.2022 | |
| 420 | D | A | 0.5777 | |
| 421 | L | A | 0.5366 | |
| 422 | K | A | -1.2913 | |
| 423 | G | A | -1.0617 | |
| 424 | S | A | -0.4626 | |
| 425 | G | A | -0.7155 | |
| 426 | S | A | -0.2179 | |
| 427 | L | A | 0.0609 | |
| 428 | P | A | -0.8335 | |
| 429 | P | A | -0.9386 | |
| 430 | H | A | -1.2575 | |
| 431 | Q | A | -1.4232 | |
| 432 | K | A | -0.9508 | |
| 433 | V | A | 0.0000 | |
| 434 | P | A | -0.3535 | |
| 435 | L | A | 0.0000 | |
| 436 | P | A | -0.0386 | |
| 437 | S | A | -0.3414 | |
| 438 | L | A | -0.3955 | |
| 439 | S | A | 0.0000 | |
| 440 | P | A | -0.7949 | |
| 441 | T | A | -1.0628 | |
| 442 | M | A | 0.0000 | |
| 443 | Q | A | -1.7332 | |
| 444 | A | A | -1.9726 | |
| 445 | G | A | 0.0000 | |
| 446 | T | A | -2.6587 | |
| 447 | I | A | 0.0000 | |
| 448 | A | A | -2.3160 | |
| 449 | R | A | -3.1681 | |
| 450 | W | A | 0.0000 | |
| 451 | E | A | -3.0648 | |
| 452 | K | A | -2.6679 | |
| 453 | K | A | -3.0116 | |
| 454 | E | A | -2.4798 | |
| 455 | G | A | -2.3441 | |
| 456 | D | A | -2.4954 | |
| 457 | K | A | -2.6423 | |
| 458 | I | A | 0.0000 | |
| 459 | N | A | -3.0585 | |
| 460 | E | A | -3.4359 | |
| 461 | G | A | -2.1296 | |
| 462 | D | A | -2.1808 | |
| 463 | L | A | -1.1799 | |
| 464 | I | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | E | A | -2.1412 | |
| 467 | V | A | 0.0000 | |
| 468 | E | A | -2.8823 | |
| 469 | T | A | -2.4730 | |
| 470 | D | A | -3.1028 | |
| 471 | K | A | -2.7487 | |
| 472 | A | A | -1.5531 | |
| 473 | T | A | -1.4050 | |
| 474 | V | A | -0.4671 | |
| 475 | G | A | -1.0181 | |
| 476 | F | A | -0.5893 | |
| 477 | E | A | -1.7794 | |
| 478 | S | A | 0.0000 | |
| 479 | L | A | -0.8361 | |
| 480 | E | A | -3.1275 | |
| 481 | E | A | -3.8096 | |
| 482 | C | A | 0.0000 | |
| 483 | Y | A | -2.2953 | |
| 484 | M | A | 0.0000 | |
| 485 | A | A | 0.0000 | |
| 486 | K | A | -1.3305 | |
| 487 | I | A | -0.4488 | |
| 488 | L | A | 0.4916 | |
| 489 | V | A | 0.0481 | |
| 490 | A | A | -0.7721 | |
| 491 | E | A | -1.9538 | |
| 492 | G | A | -1.9253 | |
| 493 | T | A | -1.8861 | |
| 494 | R | A | -3.1238 | |
| 495 | D | A | -3.0432 | |
| 496 | V | A | 0.0000 | |
| 497 | P | A | -1.1180 | |
| 498 | I | A | -0.3380 | |
| 499 | G | A | -0.3752 | |
| 500 | A | A | 0.1058 | |
| 501 | I | A | 0.2701 | |
| 502 | I | A | 0.0000 | |
| 503 | C | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | T | A | 0.0000 | |
| 506 | V | A | 0.0000 | |
| 507 | G | A | -2.4761 | |
| 508 | K | A | -2.9743 | |
| 509 | P | A | -2.5309 | |
| 510 | E | A | -2.9784 | |
| 511 | D | A | -2.4515 | |
| 512 | I | A | -2.3598 | |
| 513 | E | A | -3.0928 | |
| 514 | A | A | -1.8012 | |
| 515 | F | A | 0.0000 | |
| 516 | K | A | -3.0350 | |
| 517 | N | A | -2.4180 | |
| 518 | Y | A | 0.0000 | |
| 519 | T | A | -0.7388 | |
| 520 | L | A | 0.0964 | |
| 521 | D | A | -1.4610 | |
| 522 | S | A | -1.0456 | |
| 523 | S | A | -0.4787 | |
| 524 | A | A | -0.4433 | |
| 525 | A | A | -0.4697 | |
| 526 | P | A | -0.6780 | |
| 527 | T | A | -0.6023 | |
| 528 | P | A | -0.9072 | |
| 529 | Q | A | -1.3682 | |
| 530 | A | A | -0.6256 | |
| 531 | A | A | -0.3784 | |
| 532 | P | A | -0.4126 | |
| 533 | A | A | -0.2075 | |
| 534 | P | A | -0.3708 | |
| 535 | T | A | -0.3171 | |
| 536 | P | A | -0.3011 | |
| 537 | A | A | -0.0961 | |
| 538 | A | A | -0.0183 | |
| 539 | T | A | -0.0438 | |
| 540 | A | A | -0.1228 | |
| 541 | S | A | -0.4044 | |
| 542 | P | A | -0.5437 | |
| 543 | P | A | -0.5353 | |
| 544 | T | A | -0.4631 | |
| 545 | P | A | -0.6065 | |
| 546 | S | A | -0.5919 | |
| 547 | A | A | -0.7036 | |
| 548 | Q | A | -1.3453 | |
| 549 | A | A | -0.7643 | |
| 550 | P | A | -0.8522 | |
| 551 | G | A | -0.8100 | |
| 552 | S | A | -0.4290 | |
| 553 | S | A | -0.1730 | |
| 554 | Y | A | 0.2486 | |
| 555 | P | A | -0.5024 | |
| 556 | P | A | -0.9448 | |
| 557 | H | A | -1.0875 | |
| 558 | M | A | -0.6491 | |
| 559 | Q | A | -0.3208 | |
| 560 | V | A | 0.0000 | |
| 561 | L | A | 0.7573 | |
| 562 | L | A | 0.0000 | |
| 563 | P | A | 0.3870 | |
| 564 | A | A | 0.3345 | |
| 565 | L | A | -0.0436 | |
| 566 | S | A | -0.5078 | |
| 567 | P | A | -0.4157 | |
| 568 | T | A | -0.6903 | |
| 569 | M | A | 0.0000 | |
| 570 | T | A | -0.2702 | |
| 571 | M | A | -0.7078 | |
| 572 | G | A | 0.0000 | |
| 573 | T | A | -2.5464 | |
| 574 | V | A | 0.0000 | |
| 575 | Q | A | -2.8094 | |
| 576 | R | A | -3.3638 | |
| 577 | W | A | 0.0000 | |
| 578 | E | A | -2.9322 | |
| 579 | K | A | -2.1992 | |
| 580 | K | A | -2.0023 | |
| 581 | V | A | -0.0252 | |
| 582 | G | A | -1.1197 | |
| 583 | E | A | -1.8077 | |
| 584 | K | A | -3.0351 | |
| 585 | L | A | 0.0000 | |
| 586 | S | A | -3.1269 | |
| 587 | E | A | -4.0921 | |
| 588 | G | A | -2.9105 | |
| 589 | D | A | -2.7371 | |
| 590 | L | A | -1.6833 | |
| 591 | L | A | 0.0000 | |
| 592 | A | A | 0.0000 | |
| 593 | E | A | -2.3782 | |
| 594 | I | A | 0.0000 | |
| 595 | E | A | -2.4120 | |
| 596 | T | A | -1.9594 | |
| 597 | D | A | -2.7320 | |
| 598 | K | A | -2.6123 | |
| 599 | A | A | -1.3366 | |
| 600 | T | A | -1.0536 | |
| 601 | I | A | -0.4058 | |
| 602 | G | A | -1.1562 | |
| 603 | F | A | 0.0000 | |
| 604 | E | A | -2.8382 | |
| 605 | V | A | 0.0000 | |
| 606 | Q | A | -3.6352 | |
| 607 | E | A | -4.2835 | |
| 608 | E | A | -4.4059 | |
| 609 | G | A | 0.0000 | |
| 610 | Y | A | -2.7588 | |
| 611 | L | A | 0.0000 | |
| 612 | A | A | 0.0000 | |
| 613 | K | A | -0.4435 | |
| 614 | I | A | 0.1310 | |
| 615 | L | A | -0.2549 | |
| 616 | V | A | 0.0000 | |
| 617 | P | A | -1.2060 | |
| 618 | E | A | -2.3290 | |
| 619 | G | A | -2.1662 | |
| 620 | T | A | -2.1234 | |
| 621 | R | A | -3.1121 | |
| 622 | D | A | -2.6315 | |
| 623 | V | A | 0.0000 | |
| 624 | P | A | -0.3702 | |
| 625 | L | A | 0.4570 | |
| 626 | G | A | 0.2927 | |
| 627 | T | A | 0.3204 | |
| 628 | P | A | 0.2885 | |
| 629 | L | A | 0.0000 | |
| 630 | C | A | 0.0000 | |
| 631 | I | A | 0.0000 | |
| 632 | I | A | 0.0000 | |
| 633 | V | A | 0.0000 | |
| 634 | E | A | -3.9101 | |
| 635 | K | A | -3.9570 | |
| 636 | E | A | -3.4589 | |
| 637 | A | A | -1.8031 | |
| 638 | D | A | -1.7964 | |
| 639 | I | A | -1.1431 | |
| 640 | S | A | -0.7800 | |
| 641 | A | A | -0.3721 | |
| 642 | F | A | 0.0000 | |
| 643 | A | A | -0.9454 | |
| 644 | D | A | -2.2272 | |
| 645 | Y | A | -1.5294 | |
| 646 | R | A | -2.2961 | |
| 647 | P | A | -1.2338 | |
| 648 | T | A | -1.0229 | |
| 649 | E | A | -1.4847 | |
| 650 | V | A | 0.3510 | |
| 651 | T | A | -0.3871 | |
| 652 | D | A | -1.3970 | |
| 653 | L | A | -0.1528 | |
| 654 | K | A | -1.7511 | |
| 655 | P | A | -1.0469 | |
| 656 | Q | A | -0.7781 | |
| 657 | V | A | 0.7144 | |
| 658 | P | A | 0.0554 | |
| 659 | P | A | -0.2805 | |
| 660 | P | A | -0.3614 | |
| 661 | T | A | -0.5076 | |
| 662 | P | A | -0.3457 | |
| 663 | P | A | -0.1290 | |
| 664 | P | A | 0.4364 | |
| 665 | V | A | 1.8002 | |
| 666 | A | A | 1.2523 | |
| 667 | A | A | 1.2141 | |
| 668 | V | A | 1.8289 | |
| 669 | P | A | 0.4771 | |
| 670 | P | A | -0.0826 | |
| 671 | T | A | -0.4252 | |
| 672 | P | A | -0.9788 | |
| 673 | Q | A | -1.1078 | |
| 674 | P | A | -0.1398 | |
| 675 | L | A | 1.1145 | |
| 676 | A | A | 0.6104 | |
| 677 | P | A | 0.0337 | |
| 678 | T | A | -0.3494 | |
| 679 | P | A | -0.4357 | |
| 680 | S | A | -0.3775 | |
| 681 | A | A | -0.0987 | |
| 682 | P | A | 0.0234 | |
| 683 | C | A | 0.4935 | |
| 684 | P | A | 0.1225 | |
| 685 | A | A | 0.0031 | |
| 686 | T | A | -0.2684 | |
| 687 | P | A | -0.3533 | |
| 688 | A | A | -0.5704 | |
| 689 | G | A | -0.9871 | |
| 690 | P | A | -1.6417 | |
| 691 | K | A | -2.4067 | |
| 692 | G | A | -1.7916 | |
| 693 | R | A | -1.6782 | |
| 694 | V | A | 0.1274 | |
| 695 | F | A | 0.1380 | |
| 696 | V | A | -0.0103 | |
| 697 | S | A | -0.2904 | |
| 698 | P | A | -0.4775 | |
| 699 | L | A | -0.1666 | |
| 700 | A | A | 0.0000 | |
| 701 | K | A | -1.4478 | |
| 702 | K | A | -2.0540 | |
| 703 | L | A | -1.6866 | |
| 704 | A | A | 0.0000 | |
| 705 | V | A | -0.6205 | |
| 706 | E | A | -2.2627 | |
| 707 | K | A | -2.4507 | |
| 708 | G | A | -1.3817 | |
| 709 | I | A | -1.1137 | |
| 710 | D | A | -1.5901 | |
| 711 | L | A | -0.6293 | |
| 712 | T | A | -1.1667 | |
| 713 | Q | A | -1.6251 | |
| 714 | V | A | 0.0000 | |
| 715 | K | A | -2.1598 | |
| 716 | G | A | -2.0461 | |
| 717 | T | A | -1.7942 | |
| 718 | G | A | -1.7984 | |
| 719 | P | A | -1.6359 | |
| 720 | D | A | -2.4429 | |
| 721 | G | A | -1.9976 | |
| 722 | R | A | -2.1007 | |
| 723 | I | A | 0.0000 | |
| 724 | T | A | -1.7671 | |
| 725 | K | A | -2.4504 | |
| 726 | K | A | -2.8581 | |
| 727 | D | A | -2.1784 | |
| 728 | I | A | 0.0000 | |
| 729 | D | A | -2.5133 | |
| 730 | S | A | -1.1094 | |
| 731 | F | A | -0.0966 | |
| 732 | V | A | 1.1784 | |
| 733 | P | A | 0.1056 | |
| 734 | S | A | -0.3555 | |
| 735 | K | A | -0.8200 | |
| 736 | V | A | 0.8530 | |
| 737 | A | A | 0.3686 | |
| 738 | P | A | -0.0401 | |
| 739 | A | A | -0.1792 | |
| 740 | P | A | -0.2412 | |
| 741 | A | A | 0.5472 | |
| 742 | A | A | 1.3397 | |
| 743 | V | A | 2.6009 | |
| 744 | V | A | 2.4214 | |
| 745 | P | A | 0.8954 | |
| 746 | P | A | -0.0826 | |
| 747 | T | A | -0.3445 | |
| 748 | G | A | -0.7704 | |
| 749 | P | A | -0.4833 | |
| 750 | G | A | -0.1857 | |
| 751 | M | A | 0.9355 | |
| 752 | A | A | 0.6924 | |
| 753 | P | A | 0.7630 | |
| 754 | V | A | 1.5749 | |
| 755 | P | A | 0.3258 | |
| 756 | T | A | -0.1156 | |
| 757 | G | A | -1.0666 | |
| 758 | G | A | -1.6001 | |
| 759 | S | A | -1.7380 | |
| 760 | D | A | -2.8316 | |
| 761 | D | A | -2.9805 | |
| 762 | L | A | -1.0495 | |
| 763 | V | A | -0.5834 | |
| 764 | T | A | -0.0809 | |
| 765 | V | A | -0.4330 | |
| 766 | K | A | -1.8186 | |
| 767 | T | A | 0.0000 | |
| 768 | P | A | -0.8878 | |
| 769 | A | A | -0.7414 | |
| 770 | F | A | -0.7799 | |
| 771 | A | A | -0.9181 | |
| 772 | E | A | -1.7701 | |
| 773 | S | A | -1.5160 | |
| 774 | V | A | -1.7041 | |
| 775 | T | A | -1.7944 | |
| 776 | E | A | -3.6173 | |
| 777 | G | A | 0.0000 | |
| 778 | D | A | -4.6209 | |
| 779 | V | A | 0.0000 | |
| 780 | R | A | -4.2636 | |
| 781 | W | A | 0.0000 | |
| 782 | E | A | -2.5692 | |
| 783 | K | A | -1.2067 | |
| 784 | A | A | 0.0042 | |
| 785 | V | A | 1.1625 | |
| 786 | G | A | -0.2680 | |
| 787 | D | A | -0.6547 | |
| 788 | T | A | -0.7594 | |
| 789 | V | A | 0.0000 | |
| 790 | A | A | -1.8977 | |
| 791 | E | A | -3.2779 | |
| 792 | D | A | -3.0538 | |
| 793 | E | A | -2.1617 | |
| 794 | V | A | -1.3590 | |
| 795 | V | A | 0.0000 | |
| 796 | C | A | 0.0000 | |
| 797 | E | A | -2.6205 | |
| 798 | I | A | 0.0000 | |
| 799 | E | A | -4.1745 | |
| 800 | T | A | -3.2768 | |
| 801 | D | A | -3.4855 | |
| 802 | K | A | -2.8622 | |
| 803 | T | A | -1.8714 | |
| 804 | S | A | -2.1548 | |
| 805 | V | A | -1.0660 | |
| 806 | Q | A | -1.7212 | |
| 807 | V | A | 0.0000 | |
| 808 | P | A | -1.4620 | |
| 809 | S | A | 0.0000 | |
| 810 | P | A | -1.5388 | |
| 811 | A | A | -2.0895 | |
| 812 | N | A | -2.2994 | |
| 813 | G | A | 0.0000 | |
| 814 | V | A | -0.5834 | |
| 815 | I | A | 0.0000 | |
| 816 | E | A | -0.4660 | |
| 817 | A | A | 0.4340 | |
| 818 | L | A | 0.7648 | |
| 819 | L | A | 0.5800 | |
| 820 | V | A | 0.0000 | |
| 821 | P | A | -1.5876 | |
| 822 | D | A | -3.1378 | |
| 823 | G | A | -3.0488 | |
| 824 | G | A | -2.4391 | |
| 825 | K | A | -3.8348 | |
| 826 | V | A | 0.0000 | |
| 827 | E | A | -3.0205 | |
| 828 | G | A | -1.7602 | |
| 829 | G | A | -1.3242 | |
| 830 | T | A | -1.3305 | |
| 831 | P | A | -0.8263 | |
| 832 | L | A | 0.0000 | |
| 833 | F | A | 0.0000 | |
| 834 | T | A | 0.0796 | |
| 835 | L | A | 0.0000 | |
| 836 | R | A | -2.2064 | |
| 837 | K | A | -2.4627 | |
| 838 | T | A | -1.4012 | |
| 839 | G | A | -1.4027 | |
| 840 | A | A | -0.7571 | |
| 841 | G | A | -0.9260 | |
| 842 | S | A | -1.0843 | |
| 843 | G | A | -1.5530 | |
| 844 | H | A | -2.2239 | |
| 845 | H | A | -2.5187 | |
| 846 | H | A | -2.6884 | |
| 847 | H | A | -2.6284 | |
| 848 | H | A | -2.3545 | |
| 849 | H | A | -1.8428 |
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 | -0.3193 | 5.6971 | View | CSV | PDB |
| 4.5 | -0.409 | 5.6971 | View | CSV | PDB |
| 5.0 | -0.519 | 5.6971 | View | CSV | PDB |
| 5.5 | -0.6269 | 5.6971 | View | CSV | PDB |
| 6.0 | -0.7089 | 5.6971 | View | CSV | PDB |
| 6.5 | -0.749 | 5.6971 | View | CSV | PDB |
| 7.0 | -0.7479 | 5.6971 | View | CSV | PDB |
| 7.5 | -0.7192 | 5.6971 | View | CSV | PDB |
| 8.0 | -0.6752 | 5.6971 | View | CSV | PDB |
| 8.5 | -0.6202 | 5.6971 | View | CSV | PDB |
| 9.0 | -0.5546 | 5.6971 | 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