| Chain sequence(s) |
A: MGVLKFKHIFFRSFVKSSGVSQIVFTFLLIPCCLTLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYNASPSTLSATMFIVSILFLIISSVASL
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 globular. Max 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 (00:05:39)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/3c8483726607f73/tmp/folded.pdb (00:05:39)
[INFO] Main: Simulation completed successfully. (00:07:58)
|
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 | 1.4287 | |
| 2 | G | A | 1.0855 | |
| 3 | V | A | 2.3418 | |
| 4 | L | A | 1.8751 | |
| 5 | K | A | -0.2249 | |
| 6 | F | A | 0.8995 | |
| 7 | K | A | -0.7478 | |
| 8 | H | A | 0.2799 | |
| 9 | I | A | 2.5657 | |
| 10 | F | A | 2.7432 | |
| 11 | F | A | 2.6587 | |
| 12 | R | A | 0.6146 | |
| 13 | S | A | 0.9251 | |
| 14 | F | A | 2.0088 | |
| 15 | V | A | 1.5028 | |
| 16 | K | A | -0.5676 | |
| 17 | S | A | -0.3934 | |
| 18 | S | A | -0.2800 | |
| 19 | G | A | 0.2372 | |
| 20 | V | A | 2.3583 | |
| 21 | S | A | 1.5920 | |
| 22 | Q | A | 1.5462 | |
| 23 | I | A | 3.8252 | |
| 24 | V | A | 4.8979 | |
| 25 | F | A | 4.6851 | |
| 26 | T | A | 4.0419 | |
| 27 | F | A | 5.0257 | |
| 28 | L | A | 4.7873 | |
| 29 | L | A | 4.3704 | |
| 30 | I | A | 4.3504 | |
| 31 | P | A | 2.6586 | |
| 32 | C | A | 2.9190 | |
| 33 | C | A | 2.8306 | |
| 34 | L | A | 2.6420 | |
| 35 | T | A | 1.3392 | |
| 36 | L | A | 0.9247 | |
| 37 | N | A | 0.0002 | |
| 38 | F | A | -0.1417 | |
| 39 | R | A | 0.0000 | |
| 40 | A | A | -0.2018 | |
| 41 | P | A | 0.0514 | |
| 42 | P | A | -0.0853 | |
| 43 | V | A | 0.4434 | |
| 44 | I | A | 0.2655 | |
| 45 | P | A | -0.5035 | |
| 46 | N | A | -1.1467 | |
| 47 | V | A | 0.0026 | |
| 48 | P | A | -0.3190 | |
| 49 | F | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | W | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | W | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | P | A | 0.0000 | |
| 57 | S | A | 0.0000 | |
| 58 | E | A | -0.8620 | |
| 59 | F | A | 0.8388 | |
| 60 | C | A | 0.0000 | |
| 61 | L | A | -0.6445 | |
| 62 | G | A | 0.0000 | |
| 63 | K | A | -1.5652 | |
| 64 | F | A | -0.2429 | |
| 65 | D | A | -2.0330 | |
| 66 | E | A | -2.3973 | |
| 67 | P | A | -1.4009 | |
| 68 | L | A | 0.0000 | |
| 69 | D | A | -0.9984 | |
| 70 | M | A | -0.1896 | |
| 71 | S | A | -0.6877 | |
| 72 | L | A | 0.0000 | |
| 73 | F | A | 0.0000 | |
| 74 | S | A | 0.2053 | |
| 75 | F | A | 0.0000 | |
| 76 | I | A | 0.4846 | |
| 77 | G | A | 0.0000 | |
| 78 | S | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | R | A | -0.2261 | |
| 81 | I | A | 0.7260 | |
| 82 | N | A | -0.4691 | |
| 83 | A | A | -0.3591 | |
| 84 | T | A | -0.0836 | |
| 85 | G | A | -0.3672 | |
| 86 | Q | A | -0.2337 | |
| 87 | G | A | -0.1205 | |
| 88 | V | A | 0.0000 | |
| 89 | T | A | 0.0000 | |
| 90 | I | A | 0.0000 | |
| 91 | F | A | 0.0000 | |
| 92 | Y | A | -0.0892 | |
| 93 | V | A | -0.5606 | |
| 94 | D | A | -1.1933 | |
| 95 | R | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | G | A | 0.0000 | |
| 98 | Y | A | -0.4165 | |
| 99 | Y | A | 0.0000 | |
| 100 | P | A | 0.0000 | |
| 101 | Y | A | 0.1465 | |
| 102 | I | A | 0.0000 | |
| 103 | D | A | 0.5382 | |
| 104 | S | A | 0.6246 | |
| 105 | I | A | 1.8859 | |
| 106 | T | A | 1.0544 | |
| 107 | G | A | 0.8439 | |
| 108 | V | A | 1.7097 | |
| 109 | T | A | 0.6685 | |
| 110 | V | A | 0.5936 | |
| 111 | N | A | -0.1605 | |
| 112 | G | A | -0.3754 | |
| 113 | G | A | 0.0000 | |
| 114 | I | A | 0.0000 | |
| 115 | P | A | 0.0000 | |
| 116 | Q | A | -1.4402 | |
| 117 | K | A | -1.4779 | |
| 118 | I | A | -0.9644 | |
| 119 | S | A | -1.1494 | |
| 120 | L | A | -1.1645 | |
| 121 | Q | A | -2.1333 | |
| 122 | D | A | -2.4870 | |
| 123 | H | A | 0.0000 | |
| 124 | L | A | -1.8161 | |
| 125 | D | A | -2.4574 | |
| 126 | K | A | -2.1631 | |
| 127 | A | A | 0.0000 | |
| 128 | K | A | -1.9086 | |
| 129 | K | A | -2.1916 | |
| 130 | D | A | -1.2318 | |
| 131 | I | A | 0.0000 | |
| 132 | T | A | -0.2573 | |
| 133 | F | A | 0.5394 | |
| 134 | Y | A | 0.0000 | |
| 135 | M | A | 0.0000 | |
| 136 | P | A | 0.4543 | |
| 137 | V | A | 0.9044 | |
| 138 | D | A | -0.8261 | |
| 139 | N | A | -1.3183 | |
| 140 | L | A | -0.3293 | |
| 141 | G | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | A | A | 0.0000 | |
| 144 | V | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | D | A | -0.2821 | |
| 147 | W | A | 0.0000 | |
| 148 | E | A | -1.3066 | |
| 149 | E | A | -1.0446 | |
| 150 | W | A | 0.0000 | |
| 151 | R | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | T | A | -0.8578 | |
| 154 | W | A | 0.0000 | |
| 155 | A | A | -0.0671 | |
| 156 | R | A | 0.0000 | |
| 157 | N | A | 0.0000 | |
| 158 | W | A | -0.4219 | |
| 159 | K | A | -1.6960 | |
| 160 | P | A | -1.2815 | |
| 161 | K | A | -1.1953 | |
| 162 | D | A | -1.3019 | |
| 163 | V | A | -0.6976 | |
| 164 | Y | A | 0.0000 | |
| 165 | K | A | -1.3184 | |
| 166 | N | A | -1.8564 | |
| 167 | R | A | -1.4281 | |
| 168 | S | A | 0.0000 | |
| 169 | I | A | -1.7751 | |
| 170 | E | A | -1.9588 | |
| 171 | L | A | -1.8121 | |
| 172 | V | A | 0.0000 | |
| 173 | Q | A | -1.3255 | |
| 174 | Q | A | -1.8742 | |
| 175 | Q | A | -1.8216 | |
| 176 | N | A | -1.0897 | |
| 177 | V | A | 0.3851 | |
| 178 | Q | A | -0.6883 | |
| 179 | L | A | -0.4956 | |
| 180 | S | A | 0.0569 | |
| 181 | L | A | 0.5352 | |
| 182 | T | A | -0.7092 | |
| 183 | E | A | -2.3084 | |
| 184 | A | A | 0.0000 | |
| 185 | T | A | -2.1371 | |
| 186 | E | A | -3.2617 | |
| 187 | K | A | -2.9488 | |
| 188 | A | A | 0.0000 | |
| 189 | K | A | -3.0137 | |
| 190 | Q | A | -3.4387 | |
| 191 | E | A | -3.3567 | |
| 192 | F | A | 0.0000 | |
| 193 | E | A | -2.3263 | |
| 194 | K | A | -2.9423 | |
| 195 | A | A | -1.9603 | |
| 196 | G | A | 0.0000 | |
| 197 | K | A | -1.6202 | |
| 198 | D | A | -1.2368 | |
| 199 | F | A | 0.0000 | |
| 200 | L | A | 0.0000 | |
| 201 | V | A | -0.9545 | |
| 202 | E | A | -1.4165 | |
| 203 | T | A | 0.0000 | |
| 204 | I | A | 0.0000 | |
| 205 | K | A | -0.9668 | |
| 206 | L | A | -0.3363 | |
| 207 | G | A | 0.0000 | |
| 208 | K | A | -0.3529 | |
| 209 | L | A | 0.9151 | |
| 210 | L | A | 0.3939 | |
| 211 | R | A | -0.4204 | |
| 212 | P | A | -0.8879 | |
| 213 | N | A | -1.3893 | |
| 214 | H | A | 0.0000 | |
| 215 | L | A | -0.0939 | |
| 216 | W | A | 0.0000 | |
| 217 | G | A | 0.0000 | |
| 218 | Y | A | 0.0000 | |
| 219 | Y | A | 0.0339 | |
| 220 | L | A | 0.0581 | |
| 221 | F | A | 0.0000 | |
| 222 | P | A | 0.0000 | |
| 223 | D | A | 0.0000 | |
| 224 | C | A | 0.0000 | |
| 225 | Y | A | 0.1325 | |
| 226 | N | A | 0.0000 | |
| 227 | H | A | -1.4275 | |
| 228 | H | A | -2.2477 | |
| 229 | Y | A | -2.0054 | |
| 230 | K | A | -3.0887 | |
| 231 | K | A | -3.1129 | |
| 232 | P | A | -1.8757 | |
| 233 | G | A | -1.4628 | |
| 234 | Y | A | -1.5270 | |
| 235 | N | A | -1.3261 | |
| 236 | G | A | 0.0000 | |
| 237 | S | A | -0.3325 | |
| 238 | C | A | 0.1531 | |
| 239 | F | A | 0.9551 | |
| 240 | N | A | -0.4660 | |
| 241 | V | A | 0.2771 | |
| 242 | E | A | 0.0000 | |
| 243 | I | A | -0.7203 | |
| 244 | K | A | -2.0704 | |
| 245 | R | A | -1.5660 | |
| 246 | N | A | 0.0000 | |
| 247 | D | A | -1.7563 | |
| 248 | D | A | -2.4854 | |
| 249 | L | A | 0.0000 | |
| 250 | S | A | -0.9460 | |
| 251 | W | A | -0.7402 | |
| 252 | L | A | 0.0000 | |
| 253 | W | A | 0.0000 | |
| 254 | N | A | -1.4462 | |
| 255 | E | A | -1.2121 | |
| 256 | S | A | 0.0000 | |
| 257 | T | A | -0.4232 | |
| 258 | A | A | 0.0000 | |
| 259 | L | A | 0.0000 | |
| 260 | Y | A | 0.0000 | |
| 261 | P | A | 0.0000 | |
| 262 | S | A | 0.0000 | |
| 263 | I | A | 0.0000 | |
| 264 | Y | A | 0.1355 | |
| 265 | L | A | 0.0000 | |
| 266 | N | A | -1.0548 | |
| 267 | T | A | -1.3328 | |
| 268 | Q | A | -1.5904 | |
| 269 | Q | A | -0.9079 | |
| 270 | S | A | -0.2336 | |
| 271 | P | A | 0.1057 | |
| 272 | V | A | 1.5122 | |
| 273 | A | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | T | A | 0.1545 | |
| 276 | L | A | 0.1348 | |
| 277 | Y | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | R | A | 0.0000 | |
| 280 | N | A | 0.0000 | |
| 281 | R | A | 0.0000 | |
| 282 | V | A | 0.0000 | |
| 283 | R | A | -1.0035 | |
| 284 | E | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | I | A | 0.0000 | |
| 287 | R | A | -0.8577 | |
| 288 | V | A | 0.0000 | |
| 289 | S | A | 0.0000 | |
| 290 | K | A | -1.0041 | |
| 291 | I | A | -0.5759 | |
| 292 | P | A | -1.1711 | |
| 293 | D | A | -1.9228 | |
| 294 | A | A | -1.3301 | |
| 295 | K | A | -2.0086 | |
| 296 | S | A | -1.3687 | |
| 297 | P | A | 0.0000 | |
| 298 | L | A | -0.4641 | |
| 299 | P | A | 0.0495 | |
| 300 | V | A | 0.0000 | |
| 301 | F | A | 0.0000 | |
| 302 | A | A | 0.0000 | |
| 303 | Y | A | 0.0000 | |
| 304 | T | A | 0.0000 | |
| 305 | R | A | 0.0000 | |
| 306 | I | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | F | A | 0.0000 | |
| 309 | T | A | -0.8879 | |
| 310 | D | A | -1.8555 | |
| 311 | Q | A | -1.5826 | |
| 312 | V | A | -0.2903 | |
| 313 | L | A | 0.2136 | |
| 314 | K | A | -1.2142 | |
| 315 | F | A | -0.2560 | |
| 316 | L | A | 0.0000 | |
| 317 | S | A | -1.2936 | |
| 318 | Q | A | -1.8286 | |
| 319 | D | A | -2.3901 | |
| 320 | E | A | -1.4413 | |
| 321 | L | A | 0.0000 | |
| 322 | V | A | -0.7698 | |
| 323 | Y | A | -0.1977 | |
| 324 | T | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | G | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | T | A | 0.0000 | |
| 329 | V | A | 0.0000 | |
| 330 | A | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | A | A | 0.0000 | |
| 334 | S | A | 0.0727 | |
| 335 | G | A | 0.0000 | |
| 336 | I | A | 0.0000 | |
| 337 | V | A | 0.0000 | |
| 338 | I | A | 0.0000 | |
| 339 | W | A | 0.1840 | |
| 340 | G | A | 0.0000 | |
| 341 | T | A | 0.3618 | |
| 342 | L | A | 0.5723 | |
| 343 | S | A | 0.2183 | |
| 344 | I | A | 0.0000 | |
| 345 | M | A | 0.0000 | |
| 346 | R | A | -1.4467 | |
| 347 | S | A | -0.6695 | |
| 348 | M | A | -0.0797 | |
| 349 | K | A | -1.3966 | |
| 350 | S | A | -0.4972 | |
| 351 | C | A | 0.0000 | |
| 352 | L | A | -0.0989 | |
| 353 | L | A | 0.4166 | |
| 354 | L | A | 0.0000 | |
| 355 | D | A | -0.8571 | |
| 356 | N | A | -0.5632 | |
| 357 | Y | A | 0.0000 | |
| 358 | M | A | 0.0000 | |
| 359 | E | A | -0.7252 | |
| 360 | T | A | -0.3748 | |
| 361 | I | A | -0.1204 | |
| 362 | L | A | 0.0000 | |
| 363 | N | A | 0.0000 | |
| 364 | P | A | -0.1288 | |
| 365 | Y | A | 0.0000 | |
| 366 | I | A | 0.0000 | |
| 367 | I | A | 0.0000 | |
| 368 | N | A | -0.3250 | |
| 369 | V | A | 0.0000 | |
| 370 | T | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | A | A | 0.0000 | |
| 373 | A | A | 0.0000 | |
| 374 | K | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | C | A | 0.0000 | |
| 377 | S | A | 0.0000 | |
| 378 | Q | A | -1.5514 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | C | A | 0.0000 | |
| 382 | Q | A | -2.5601 | |
| 383 | E | A | -2.1490 | |
| 384 | Q | A | -1.7528 | |
| 385 | G | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | C | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | R | A | 0.0000 | |
| 390 | K | A | -2.4392 | |
| 391 | N | A | -2.1519 | |
| 392 | W | A | -1.0612 | |
| 393 | N | A | -1.4044 | |
| 394 | S | A | -1.2216 | |
| 395 | S | A | -0.6693 | |
| 396 | D | A | -1.0373 | |
| 397 | Y | A | -0.1063 | |
| 398 | L | A | 0.0000 | |
| 399 | H | A | -0.4376 | |
| 400 | L | A | 0.0000 | |
| 401 | N | A | -1.5241 | |
| 402 | P | A | -1.4817 | |
| 403 | D | A | -2.2568 | |
| 404 | N | A | -2.2798 | |
| 405 | F | A | 0.0000 | |
| 406 | A | A | -1.3743 | |
| 407 | I | A | -0.3915 | |
| 408 | Q | A | -0.9969 | |
| 409 | L | A | -0.7059 | |
| 410 | E | A | -1.6008 | |
| 411 | K | A | -2.3645 | |
| 412 | G | A | -1.7731 | |
| 413 | G | A | -1.6997 | |
| 414 | K | A | -2.1747 | |
| 415 | F | A | 0.0000 | |
| 416 | T | A | -0.8930 | |
| 417 | V | A | -1.1778 | |
| 418 | R | A | -2.5614 | |
| 419 | G | A | -2.7349 | |
| 420 | K | A | -2.3980 | |
| 421 | P | A | 0.0000 | |
| 422 | T | A | -1.2257 | |
| 423 | L | A | -1.5014 | |
| 424 | E | A | -2.5565 | |
| 425 | D | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | E | A | -3.4545 | |
| 428 | Q | A | -2.7329 | |
| 429 | F | A | 0.0000 | |
| 430 | S | A | -2.5012 | |
| 431 | E | A | -2.9255 | |
| 432 | K | A | -2.4482 | |
| 433 | F | A | 0.0000 | |
| 434 | Y | A | -0.8923 | |
| 435 | C | A | -1.0743 | |
| 436 | S | A | 0.0000 | |
| 437 | C | A | -0.6311 | |
| 438 | Y | A | 0.0000 | |
| 439 | S | A | -0.5996 | |
| 440 | T | A | -0.2495 | |
| 441 | L | A | -0.1148 | |
| 442 | S | A | -0.6444 | |
| 443 | C | A | 0.0000 | |
| 444 | K | A | -2.7735 | |
| 445 | E | A | -2.8486 | |
| 446 | K | A | -2.4013 | |
| 447 | A | A | -1.7169 | |
| 448 | D | A | -2.5593 | |
| 449 | V | A | 0.0000 | |
| 450 | K | A | -3.3376 | |
| 451 | D | A | -3.3509 | |
| 452 | T | A | 0.0000 | |
| 453 | D | A | -2.2337 | |
| 454 | A | A | -1.1502 | |
| 455 | V | A | 0.0000 | |
| 456 | D | A | -2.1521 | |
| 457 | V | A | 0.0000 | |
| 458 | C | A | -0.6081 | |
| 459 | I | A | -0.1502 | |
| 460 | A | A | -0.7703 | |
| 461 | D | A | -1.8632 | |
| 462 | G | A | -1.1453 | |
| 463 | V | A | 0.0000 | |
| 464 | C | A | -0.9451 | |
| 465 | I | A | 0.0000 | |
| 466 | D | A | -2.5560 | |
| 467 | A | A | -1.1820 | |
| 468 | F | A | 0.3552 | |
| 469 | L | A | -0.6408 | |
| 470 | K | A | -1.1651 | |
| 471 | P | A | -0.6335 | |
| 472 | P | A | -0.4866 | |
| 473 | M | A | -0.4883 | |
| 474 | E | A | -2.2773 | |
| 475 | T | A | -2.1328 | |
| 476 | E | A | -3.3907 | |
| 477 | E | A | -3.1768 | |
| 478 | P | A | -1.4037 | |
| 479 | Q | A | -0.3846 | |
| 480 | I | A | 2.2340 | |
| 481 | F | A | 2.7945 | |
| 482 | Y | A | 2.0311 | |
| 483 | N | A | 0.1751 | |
| 484 | A | A | -0.0958 | |
| 485 | S | A | -0.5577 | |
| 486 | P | A | -0.4371 | |
| 487 | S | A | 0.0016 | |
| 488 | T | A | 0.4364 | |
| 489 | L | A | 1.3248 | |
| 490 | S | A | 0.6712 | |
| 491 | A | A | 1.1993 | |
| 492 | T | A | 1.5337 | |
| 493 | M | A | 2.8638 | |
| 494 | F | A | 3.9911 | |
| 495 | I | A | 4.4999 | |
| 496 | V | A | 4.1955 | |
| 497 | S | A | 3.5484 | |
| 498 | I | A | 4.7894 | |
| 499 | L | A | 4.8695 | |
| 500 | F | A | 4.9544 | |
| 501 | L | A | 4.6904 | |
| 502 | I | A | 4.9814 | |
| 503 | I | A | 4.2712 | |
| 504 | S | A | 2.3078 | |
| 505 | S | A | 1.7423 | |
| 506 | V | A | 2.5066 | |
| 507 | A | A | 1.3783 | |
| 508 | S | A | 1.0842 | |
| 509 | L | A | 1.6945 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | 0.1256 | 9.1129 | View | CSV | PDB |
| 4.5 | 0.0687 | 9.1129 | View | CSV | PDB |
| 5.0 | 0.0014 | 9.1129 | View | CSV | PDB |
| 5.5 | -0.0621 | 9.1129 | View | CSV | PDB |
| 6.0 | -0.1067 | 9.1129 | View | CSV | PDB |
| 6.5 | -0.1232 | 9.1129 | View | CSV | PDB |
| 7.0 | -0.1137 | 9.1129 | View | CSV | PDB |
| 7.5 | -0.088 | 9.1129 | View | CSV | PDB |
| 8.0 | -0.0532 | 9.1129 | View | CSV | PDB |
| 8.5 | -0.0112 | 9.1129 | View | CSV | PDB |
| 9.0 | 0.0386 | 9.1129 | 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