| Chain sequence(s) |
A: PRKMYSCAFETTTKVEDCRVWAYGYMNIIEDHSEYKIGNSLDEFMAWVLKVQADLYFHNLKFAGAFIINWLERNGFKWSADGLPNTYNTIISRMGQWYMIDICLGYKGKRKIHTVIYDSLKKLPFPVKKIAKDFKLTVLKGDIDYHKERPVGYKITPEEYAYIKNDIQIIAEALLIQQFKQGLDRMTAGSDSLKGFKDIITTKKFKKVFPTLSLGLDKEVRYAYRGGFTWLNDRFKEKEIGEGMVFDVNSLYPAQMYSRLLPYGEPIVFEGKYVWDEDYPLHIQHIRCEFELKEGYIPTIQIKRSRFYKGNEYLKSSGGEIADLWLSNVDLELMKEHYDLYNVEYISGLKFKATTGLFKDFIDKWTYIKTTSEGAIKQLAKLMLNSLYGKFASNPDVTGKVPYLKENGALGFRLGEEETKDPVYTPMGVFITAWARYTTITAAQACYDRIIYCDTDSIHLTGTEIPDVIKDIVDPKKLGYWAHESTFKRAKYLRQKTYIQDIYMKEVVEGSPDDYTDIKFSVKCAGMTDKIKKEVTFENFKVGFSRKMKPKKPVQVPGGVVVLVDDTFTIK
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 (00:07:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/82aaad6de9c23f/tmp/folded.pdb (00:07:05)
[INFO] Main: Simulation completed successfully. (00:11:22)
|
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 |
|---|---|---|---|---|
| 5 | P | A | -0.9388 | |
| 6 | R | A | -1.6719 | |
| 7 | K | A | -2.0802 | |
| 8 | M | A | -1.2124 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | C | A | 0.0000 | |
| 12 | A | A | -0.2587 | |
| 13 | F | A | 0.0000 | |
| 14 | E | A | 0.0000 | |
| 15 | T | A | 0.0000 | |
| 16 | T | A | 0.0000 | |
| 17 | T | A | -0.7838 | |
| 18 | K | A | -1.6134 | |
| 19 | V | A | -0.2553 | |
| 20 | E | A | -2.0881 | |
| 21 | D | A | -1.7174 | |
| 22 | C | A | 0.0000 | |
| 23 | R | A | -0.6022 | |
| 24 | V | A | 0.0000 | |
| 25 | W | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | Y | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | M | A | 0.0000 | |
| 31 | N | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | E | A | -2.6904 | |
| 34 | D | A | -2.5109 | |
| 35 | H | A | -1.7608 | |
| 36 | S | A | -1.2304 | |
| 37 | E | A | -1.3418 | |
| 38 | Y | A | -0.6761 | |
| 39 | K | A | -0.7904 | |
| 40 | I | A | -0.2806 | |
| 41 | G | A | -0.8257 | |
| 42 | N | A | -1.1824 | |
| 43 | S | A | -1.1268 | |
| 44 | L | A | -1.2524 | |
| 45 | D | A | -2.4610 | |
| 46 | E | A | -2.1722 | |
| 47 | F | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | A | A | -1.0588 | |
| 50 | W | A | -0.8948 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -0.4875 | |
| 53 | K | A | -1.5254 | |
| 54 | V | A | -1.0382 | |
| 55 | Q | A | -1.3847 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -0.7551 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | H | A | -0.5577 | |
| 62 | N | A | -0.9439 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -1.2450 | |
| 65 | F | A | -0.2435 | |
| 66 | A | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | N | A | 0.0000 | |
| 73 | W | A | -1.0021 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -1.6714 | |
| 76 | R | A | -2.1294 | |
| 77 | N | A | -2.4056 | |
| 78 | G | A | -2.0012 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -2.1359 | |
| 81 | W | A | -0.8438 | |
| 82 | S | A | 0.0000 | |
| 83 | A | A | -0.6236 | |
| 84 | D | A | -1.6492 | |
| 85 | G | A | -0.7509 | |
| 86 | L | A | -0.3878 | |
| 87 | P | A | -0.5829 | |
| 88 | N | A | -1.3923 | |
| 89 | T | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | N | A | -0.3881 | |
| 92 | T | A | 0.0000 | |
| 93 | I | A | 0.9991 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | 0.2076 | |
| 96 | R | A | -0.1404 | |
| 97 | M | A | 0.4687 | |
| 98 | G | A | -0.1533 | |
| 99 | Q | A | -0.6528 | |
| 100 | W | A | 0.0000 | |
| 101 | Y | A | 0.3344 | |
| 102 | M | A | 0.4855 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | L | A | -0.2157 | |
| 108 | G | A | 0.0000 | |
| 109 | Y | A | -1.1822 | |
| 110 | K | A | -2.6032 | |
| 111 | G | A | -2.4846 | |
| 112 | K | A | -3.1596 | |
| 113 | R | A | -3.3086 | |
| 114 | K | A | -1.8881 | |
| 115 | I | A | -1.1097 | |
| 116 | H | A | -0.7063 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | Y | A | 0.1856 | |
| 121 | D | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | L | A | -0.1857 | |
| 124 | K | A | -0.4262 | |
| 125 | K | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -0.2724 | |
| 128 | F | A | 0.0000 | |
| 129 | P | A | -0.8202 | |
| 130 | V | A | -1.0882 | |
| 131 | K | A | -2.1103 | |
| 132 | K | A | -2.0523 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | K | A | -2.7653 | |
| 136 | D | A | -2.0660 | |
| 137 | F | A | -1.2429 | |
| 138 | K | A | -2.1963 | |
| 139 | L | A | -1.2534 | |
| 140 | T | A | -0.7715 | |
| 141 | V | A | -0.8107 | |
| 142 | L | A | -0.9791 | |
| 143 | K | A | -2.0828 | |
| 144 | G | A | -2.3271 | |
| 145 | D | A | -2.8183 | |
| 146 | I | A | 0.0000 | |
| 147 | D | A | -2.7607 | |
| 148 | Y | A | -1.5160 | |
| 149 | H | A | -2.2720 | |
| 150 | K | A | -2.6509 | |
| 151 | E | A | -2.7937 | |
| 152 | R | A | 0.0000 | |
| 153 | P | A | -0.2942 | |
| 154 | V | A | 1.0573 | |
| 155 | G | A | -0.1731 | |
| 156 | Y | A | -0.7418 | |
| 157 | K | A | -1.6506 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.9773 | |
| 160 | P | A | -1.1075 | |
| 161 | E | A | -1.9805 | |
| 162 | E | A | 0.0000 | |
| 163 | Y | A | -0.4802 | |
| 164 | A | A | -0.5242 | |
| 165 | Y | A | -0.9642 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -0.8873 | |
| 168 | N | A | -0.5069 | |
| 169 | D | A | -0.8783 | |
| 170 | I | A | 0.0000 | |
| 171 | Q | A | -0.6526 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | E | A | -0.3092 | |
| 176 | A | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.5467 | |
| 179 | I | A | -0.0831 | |
| 180 | Q | A | 0.0000 | |
| 181 | F | A | -1.6702 | |
| 182 | K | A | -2.2834 | |
| 183 | Q | A | -2.2011 | |
| 184 | G | A | -2.1150 | |
| 185 | L | A | -1.8804 | |
| 186 | D | A | -2.8581 | |
| 187 | R | A | -2.4164 | |
| 188 | M | A | -0.8249 | |
| 189 | T | A | -0.6522 | |
| 190 | A | A | -0.4475 | |
| 191 | G | A | -0.5053 | |
| 192 | S | A | -0.9063 | |
| 193 | D | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | L | A | -0.7166 | |
| 196 | K | A | -1.4369 | |
| 197 | G | A | -0.9777 | |
| 198 | F | A | 0.0000 | |
| 199 | K | A | -1.7455 | |
| 200 | D | A | -1.7225 | |
| 201 | I | A | -0.6817 | |
| 202 | I | A | -0.8191 | |
| 203 | T | A | -1.5786 | |
| 204 | T | A | -2.2808 | |
| 205 | K | A | -3.1296 | |
| 206 | K | A | -2.7425 | |
| 207 | F | A | -2.2970 | |
| 208 | K | A | -3.3587 | |
| 209 | K | A | -3.4241 | |
| 210 | V | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | P | A | -1.6024 | |
| 213 | T | A | -1.0870 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.2982 | |
| 216 | L | A | -0.1370 | |
| 217 | G | A | -0.5875 | |
| 218 | L | A | -0.2797 | |
| 219 | D | A | 0.0000 | |
| 220 | K | A | -1.8151 | |
| 221 | E | A | -1.1889 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.8741 | |
| 224 | Y | A | -0.1162 | |
| 225 | A | A | 0.0000 | |
| 226 | Y | A | -0.0742 | |
| 227 | R | A | -0.5440 | |
| 228 | G | A | -0.4867 | |
| 229 | G | A | -0.5028 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | -0.8306 | |
| 232 | W | A | 0.0000 | |
| 233 | L | A | -1.5121 | |
| 234 | N | A | 0.0000 | |
| 235 | D | A | -3.4034 | |
| 236 | R | A | -3.1850 | |
| 237 | F | A | -3.0206 | |
| 238 | K | A | -3.9301 | |
| 239 | E | A | -4.1180 | |
| 240 | K | A | -4.2301 | |
| 241 | E | A | -3.4706 | |
| 242 | I | A | 0.0000 | |
| 243 | G | A | -2.3474 | |
| 244 | E | A | -2.1505 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | D | A | -1.0847 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | 0.0000 | |
| 252 | S | A | -0.5809 | |
| 253 | L | A | 0.0000 | |
| 254 | Y | A | 0.0921 | |
| 255 | P | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | Y | A | -0.5913 | |
| 260 | S | A | -0.4553 | |
| 261 | R | A | -0.3338 | |
| 262 | L | A | 0.1900 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | Y | A | -0.5091 | |
| 266 | G | A | -1.4500 | |
| 267 | E | A | -1.7326 | |
| 268 | P | A | -0.0266 | |
| 269 | I | A | 1.4422 | |
| 270 | V | A | 1.8061 | |
| 271 | F | A | 0.4290 | |
| 272 | E | A | -1.4439 | |
| 273 | G | A | -1.4798 | |
| 274 | K | A | -1.5040 | |
| 275 | Y | A | 0.3461 | |
| 276 | V | A | 1.5112 | |
| 277 | W | A | 1.0141 | |
| 278 | D | A | -0.8437 | |
| 279 | E | A | -2.4186 | |
| 280 | D | A | -2.7480 | |
| 281 | Y | A | -1.1452 | |
| 282 | P | A | -0.9005 | |
| 283 | L | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | Q | A | 0.0000 | |
| 287 | H | A | -0.8941 | |
| 288 | I | A | 0.0000 | |
| 289 | R | A | -1.1924 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.0452 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -2.7280 | |
| 294 | L | A | -2.4488 | |
| 295 | K | A | -2.6929 | |
| 296 | E | A | -2.5719 | |
| 297 | G | A | -1.2399 | |
| 298 | Y | A | -0.8569 | |
| 299 | I | A | 0.0000 | |
| 300 | P | A | 0.0000 | |
| 301 | T | A | -0.4557 | |
| 302 | I | A | 0.0000 | |
| 303 | Q | A | -1.6678 | |
| 304 | I | A | 0.0000 | |
| 305 | K | A | -3.4243 | |
| 306 | R | A | -3.0972 | |
| 307 | S | A | -2.1841 | |
| 308 | R | A | -1.8352 | |
| 309 | F | A | 0.2506 | |
| 310 | Y | A | -1.4598 | |
| 311 | K | A | -2.9049 | |
| 312 | G | A | -2.9123 | |
| 313 | N | A | -2.4118 | |
| 314 | E | A | -2.7697 | |
| 315 | Y | A | -1.4270 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -2.5699 | |
| 318 | S | A | -2.0615 | |
| 319 | S | A | 0.0000 | |
| 320 | G | A | -0.9837 | |
| 321 | G | A | -0.5669 | |
| 322 | E | A | -0.1800 | |
| 323 | I | A | 0.7696 | |
| 324 | A | A | 0.0000 | |
| 325 | D | A | -1.5387 | |
| 326 | L | A | 0.0000 | |
| 327 | W | A | -0.1968 | |
| 328 | L | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | N | A | -0.6984 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | -1.0077 | |
| 333 | L | A | 0.0000 | |
| 334 | E | A | -2.6743 | |
| 335 | L | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | K | A | -2.8520 | |
| 338 | E | A | -2.7509 | |
| 339 | H | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | D | A | -2.4221 | |
| 342 | L | A | -1.1803 | |
| 343 | Y | A | -0.4811 | |
| 344 | N | A | -0.9823 | |
| 345 | V | A | -0.4801 | |
| 346 | E | A | -1.8169 | |
| 347 | Y | A | -1.2669 | |
| 348 | I | A | -0.7659 | |
| 349 | S | A | -0.8061 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | 0.3808 | |
| 353 | F | A | 0.0000 | |
| 354 | K | A | -1.4443 | |
| 355 | A | A | -0.6813 | |
| 356 | T | A | -0.2400 | |
| 357 | T | A | -0.2231 | |
| 358 | G | A | -0.8008 | |
| 359 | L | A | -0.3836 | |
| 360 | F | A | 0.0000 | |
| 361 | K | A | -2.4824 | |
| 362 | D | A | -2.9146 | |
| 363 | F | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | D | A | -2.2919 | |
| 366 | K | A | -2.0365 | |
| 367 | W | A | -0.8314 | |
| 368 | T | A | -0.7607 | |
| 369 | Y | A | 0.4502 | |
| 370 | I | A | 0.0698 | |
| 371 | K | A | -0.8885 | |
| 372 | T | A | -0.5838 | |
| 373 | T | A | -0.1873 | |
| 374 | S | A | -0.8495 | |
| 375 | E | A | -2.0429 | |
| 376 | G | A | -1.4881 | |
| 377 | A | A | 0.0000 | |
| 378 | I | A | -0.4402 | |
| 379 | K | A | -1.2306 | |
| 380 | Q | A | -1.0796 | |
| 381 | L | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.0854 | |
| 384 | L | A | -0.4128 | |
| 385 | M | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | N | A | -0.6244 | |
| 388 | S | A | -0.4553 | |
| 389 | L | A | 0.0000 | |
| 390 | Y | A | -0.1701 | |
| 391 | G | A | -0.5319 | |
| 392 | K | A | -0.6635 | |
| 393 | F | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -1.0815 | |
| 396 | N | A | -1.8380 | |
| 397 | P | A | 0.0000 | |
| 398 | D | A | -2.2074 | |
| 399 | V | A | -1.6985 | |
| 400 | T | A | 0.0000 | |
| 401 | G | A | -0.8741 | |
| 402 | K | A | -0.3737 | |
| 403 | V | A | -0.1548 | |
| 404 | P | A | 0.0000 | |
| 405 | Y | A | -0.2836 | |
| 406 | L | A | -0.7706 | |
| 407 | K | A | -1.6567 | |
| 408 | E | A | -2.6677 | |
| 409 | N | A | -2.3587 | |
| 410 | G | A | -1.6493 | |
| 411 | A | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | G | A | -0.5723 | |
| 414 | F | A | -0.0905 | |
| 415 | R | A | -1.1683 | |
| 416 | L | A | -0.2356 | |
| 417 | G | A | -1.5377 | |
| 418 | E | A | -3.0907 | |
| 419 | E | A | -3.4259 | |
| 420 | E | A | -3.5782 | |
| 421 | T | A | -2.8087 | |
| 422 | K | A | -2.9771 | |
| 423 | D | A | -2.5539 | |
| 424 | P | A | 0.0000 | |
| 425 | V | A | -0.8624 | |
| 426 | Y | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | P | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | W | A | 0.2573 | |
| 437 | A | A | 0.0000 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.1861 | |
| 440 | T | A | 0.1427 | |
| 441 | T | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | T | A | 0.1270 | |
| 444 | A | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | Q | A | -0.2411 | |
| 447 | A | A | -0.2776 | |
| 448 | C | A | 0.0000 | |
| 449 | Y | A | -0.7012 | |
| 450 | D | A | -1.8135 | |
| 451 | R | A | -1.0435 | |
| 452 | I | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | D | A | -0.7565 | |
| 457 | T | A | -0.4941 | |
| 458 | D | A | -0.6285 | |
| 459 | S | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | T | A | -1.1266 | |
| 464 | G | A | -1.1730 | |
| 465 | T | A | -1.2519 | |
| 466 | E | A | -2.0219 | |
| 467 | I | A | -1.3489 | |
| 468 | P | A | -1.5526 | |
| 469 | D | A | -2.3524 | |
| 470 | V | A | -0.6328 | |
| 471 | I | A | 0.0000 | |
| 472 | K | A | -2.6528 | |
| 473 | D | A | -2.1760 | |
| 474 | I | A | -0.5164 | |
| 475 | V | A | -0.5435 | |
| 476 | D | A | -1.0923 | |
| 477 | P | A | -1.2153 | |
| 478 | K | A | -1.5440 | |
| 479 | K | A | -1.2793 | |
| 480 | L | A | -0.5369 | |
| 481 | G | A | -0.2096 | |
| 482 | Y | A | -0.4098 | |
| 483 | W | A | 0.0000 | |
| 484 | A | A | -0.9641 | |
| 485 | H | A | -1.1665 | |
| 486 | E | A | -1.8206 | |
| 487 | S | A | 0.0000 | |
| 488 | T | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | K | A | -2.1280 | |
| 491 | R | A | -2.3852 | |
| 492 | A | A | 0.0000 | |
| 493 | K | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | R | A | -1.5969 | |
| 497 | Q | A | -1.7019 | |
| 498 | K | A | -1.9288 | |
| 499 | T | A | 0.0000 | |
| 500 | Y | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | Q | A | 0.0000 | |
| 503 | D | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | M | A | -1.2100 | |
| 507 | K | A | -1.2850 | |
| 508 | E | A | -1.0802 | |
| 509 | V | A | 1.0214 | |
| 514 | V | A | 0.6023 | |
| 515 | E | A | -1.7586 | |
| 516 | G | A | 0.0000 | |
| 517 | S | A | -1.6312 | |
| 518 | P | A | -1.6773 | |
| 519 | D | A | -2.5616 | |
| 520 | D | A | -2.8133 | |
| 521 | Y | A | -1.5304 | |
| 522 | T | A | -1.1149 | |
| 523 | D | A | -1.9112 | |
| 524 | I | A | -0.5137 | |
| 525 | K | A | -1.3497 | |
| 526 | F | A | -0.1016 | |
| 527 | S | A | -0.4637 | |
| 528 | V | A | -1.2229 | |
| 529 | K | A | -1.9235 | |
| 530 | C | A | 0.0000 | |
| 531 | A | A | -0.9287 | |
| 532 | G | A | -0.9683 | |
| 533 | M | A | 0.0000 | |
| 534 | T | A | -1.8595 | |
| 535 | D | A | -3.3560 | |
| 536 | K | A | -3.5238 | |
| 537 | I | A | 0.0000 | |
| 538 | K | A | -2.9602 | |
| 539 | K | A | -3.1746 | |
| 540 | E | A | -2.3438 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -1.1418 | |
| 543 | F | A | -1.2194 | |
| 544 | E | A | -2.1014 | |
| 545 | N | A | -1.4348 | |
| 546 | F | A | 0.0000 | |
| 547 | K | A | -1.5084 | |
| 548 | V | A | 0.0307 | |
| 549 | G | A | -0.5098 | |
| 550 | F | A | 0.0000 | |
| 551 | S | A | -0.9658 | |
| 552 | R | A | -1.9540 | |
| 553 | K | A | -2.6233 | |
| 554 | M | A | -2.5085 | |
| 555 | K | A | -2.4385 | |
| 556 | P | A | -1.6478 | |
| 557 | K | A | -1.2704 | |
| 558 | P | A | -0.1428 | |
| 559 | V | A | 0.3450 | |
| 560 | Q | A | -0.0086 | |
| 561 | V | A | 0.0000 | |
| 562 | P | A | -1.0500 | |
| 563 | G | A | -0.6667 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | 0.8510 | |
| 568 | V | A | -0.2465 | |
| 569 | D | A | -2.4650 | |
| 570 | D | A | -2.4918 | |
| 571 | T | A | -1.9302 | |
| 572 | F | A | -1.2049 | |
| 573 | T | A | -0.9452 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -1.4784 |
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 | -0.7787 | 3.6586 | View | CSV | PDB |
| 4.5 | -0.8579 | 3.5048 | View | CSV | PDB |
| 5.0 | -0.9537 | 3.3111 | View | CSV | PDB |
| 5.5 | -1.0463 | 3.1032 | View | CSV | PDB |
| 6.0 | -1.1124 | 2.9072 | View | CSV | PDB |
| 6.5 | -1.1348 | 2.7483 | View | CSV | PDB |
| 7.0 | -1.1151 | 2.6396 | View | CSV | PDB |
| 7.5 | -1.0678 | 2.5721 | View | CSV | PDB |
| 8.0 | -1.0052 | 2.5309 | View | CSV | PDB |
| 8.5 | -0.9318 | 2.5121 | View | CSV | PDB |
| 9.0 | -0.8467 | 2.5188 | 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