| Chain sequence(s) |
A: MYRKLAVISAFLATARAQSACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIGFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWEANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGSYSGNELNDDYCTAEEAEFGGSSFSDKGGLTQFKKATSGGMVLVMSLWDDYYANMLWLDSTYPTNETSSTPGAVRGSCSTSSGVPAQVESQSPNAKVTFSNIKFGPIGSTGNPSGGNPPGGNRGTTTTRRPATTTGSSPGPTQSHYGQCGGIGYSGPTVCASGTTCQVLNPYYSQCL
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 (00:02:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/594d81e9f9ab349/tmp/folded.pdb (00:02:47)
[INFO] Main: Simulation completed successfully. (00:05:32)
|
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 | 1.0941 | |
| 2 | Y | A | 0.6907 | |
| 3 | R | A | -1.3985 | |
| 4 | K | A | -1.1941 | |
| 5 | L | A | 1.1026 | |
| 6 | A | A | 1.5173 | |
| 7 | V | A | 2.9261 | |
| 8 | I | A | 3.2035 | |
| 9 | S | A | 1.9755 | |
| 10 | A | A | 2.0790 | |
| 11 | F | A | 2.9144 | |
| 12 | L | A | 2.4972 | |
| 13 | A | A | 1.1464 | |
| 14 | T | A | 0.2026 | |
| 15 | A | A | -0.8797 | |
| 16 | R | A | -2.2074 | |
| 17 | A | A | 0.0000 | |
| 18 | Q | A | 0.0000 | |
| 19 | S | A | -0.6817 | |
| 20 | A | A | -0.1011 | |
| 21 | C | A | 0.1152 | |
| 22 | T | A | 0.4013 | |
| 23 | L | A | 1.1348 | |
| 24 | Q | A | 0.0348 | |
| 25 | S | A | -0.2503 | |
| 26 | E | A | -0.6099 | |
| 27 | T | A | -0.6634 | |
| 28 | H | A | 0.0000 | |
| 29 | P | A | -0.2842 | |
| 30 | P | A | -0.5185 | |
| 31 | L | A | 0.0000 | |
| 32 | T | A | -0.9378 | |
| 33 | W | A | 0.0000 | |
| 34 | Q | A | 0.0000 | |
| 35 | K | A | -1.3477 | |
| 36 | C | A | 0.0000 | |
| 37 | S | A | -0.6407 | |
| 38 | S | A | -0.5361 | |
| 39 | G | A | -0.8741 | |
| 40 | G | A | -1.3418 | |
| 41 | T | A | -1.2466 | |
| 42 | C | A | -1.3377 | |
| 43 | T | A | -1.1837 | |
| 44 | Q | A | -1.8039 | |
| 45 | Q | A | -1.2920 | |
| 46 | T | A | -0.7435 | |
| 47 | G | A | 0.0000 | |
| 48 | S | A | -0.5914 | |
| 49 | V | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | 0.0000 | |
| 53 | A | A | -0.0859 | |
| 54 | N | A | -0.2347 | |
| 55 | W | A | 0.0504 | |
| 56 | R | A | 0.0000 | |
| 57 | W | A | -0.0899 | |
| 58 | T | A | 0.0000 | |
| 59 | H | A | 0.0000 | |
| 60 | A | A | 0.0000 | |
| 61 | T | A | -1.1810 | |
| 62 | N | A | -1.4176 | |
| 63 | S | A | -0.7274 | |
| 64 | S | A | -0.3841 | |
| 65 | T | A | -0.7706 | |
| 66 | N | A | -0.9438 | |
| 67 | C | A | 0.0000 | |
| 68 | Y | A | 0.0000 | |
| 69 | D | A | -2.2791 | |
| 70 | G | A | -1.7861 | |
| 71 | N | A | -1.6656 | |
| 72 | T | A | -1.2723 | |
| 73 | W | A | -0.8514 | |
| 74 | S | A | -0.4788 | |
| 75 | S | A | -0.3194 | |
| 76 | T | A | -0.2181 | |
| 77 | L | A | -0.2748 | |
| 78 | C | A | 0.0000 | |
| 79 | P | A | -1.0239 | |
| 80 | D | A | -1.7336 | |
| 81 | N | A | 0.0000 | |
| 82 | E | A | -2.6419 | |
| 83 | T | A | -1.6461 | |
| 84 | C | A | 0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | K | A | -2.2350 | |
| 87 | N | A | -1.4056 | |
| 88 | C | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | D | A | 0.0000 | |
| 92 | G | A | 0.0000 | |
| 93 | A | A | 0.0000 | |
| 94 | A | A | -0.2092 | |
| 95 | Y | A | 0.0000 | |
| 96 | A | A | -0.1117 | |
| 97 | S | A | -0.4689 | |
| 98 | T | A | -0.8464 | |
| 99 | Y | A | 0.0000 | |
| 100 | G | A | -0.5231 | |
| 101 | V | A | 0.0000 | |
| 102 | T | A | -0.2045 | |
| 103 | T | A | -0.4392 | |
| 104 | S | A | -0.6610 | |
| 105 | G | A | -0.9269 | |
| 106 | N | A | -1.1347 | |
| 107 | S | A | -0.6365 | |
| 108 | L | A | 0.0000 | |
| 109 | S | A | -0.3414 | |
| 110 | I | A | 0.0000 | |
| 111 | G | A | -0.7086 | |
| 112 | F | A | 0.0000 | |
| 113 | V | A | -0.8631 | |
| 114 | T | A | -1.4546 | |
| 115 | Q | A | -2.2778 | |
| 116 | S | A | -1.6844 | |
| 117 | A | A | -1.2810 | |
| 118 | Q | A | -2.4036 | |
| 119 | K | A | -2.8602 | |
| 120 | N | A | -1.5484 | |
| 121 | V | A | -0.4235 | |
| 122 | G | A | 0.0000 | |
| 123 | A | A | 0.0000 | |
| 124 | R | A | -0.1273 | |
| 125 | L | A | 0.0000 | |
| 126 | Y | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | M | A | 0.0000 | |
| 129 | A | A | -0.7464 | |
| 130 | S | A | -1.1441 | |
| 131 | D | A | -2.1151 | |
| 132 | T | A | -1.2917 | |
| 133 | T | A | -1.0747 | |
| 134 | Y | A | 0.0000 | |
| 135 | Q | A | -0.8129 | |
| 136 | E | A | -1.2762 | |
| 137 | F | A | 0.0000 | |
| 138 | T | A | -0.4378 | |
| 139 | L | A | 0.0000 | |
| 140 | L | A | -0.5206 | |
| 141 | G | A | -0.3500 | |
| 142 | N | A | -0.2952 | |
| 143 | E | A | 0.0000 | |
| 144 | F | A | 0.0000 | |
| 145 | S | A | 0.0000 | |
| 146 | F | A | 0.0000 | |
| 147 | D | A | 0.0000 | |
| 148 | V | A | 0.0000 | |
| 149 | D | A | -1.8243 | |
| 150 | V | A | 0.0000 | |
| 151 | S | A | -1.4939 | |
| 152 | Q | A | -1.6526 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | -0.4116 | |
| 155 | C | A | 0.2178 | |
| 156 | G | A | 0.0000 | |
| 157 | L | A | 0.0000 | |
| 158 | N | A | 0.0000 | |
| 159 | G | A | 0.0000 | |
| 160 | A | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | Y | A | 0.0000 | |
| 163 | F | A | 0.0000 | |
| 164 | V | A | 0.0000 | |
| 165 | S | A | 0.0000 | |
| 166 | M | A | 0.0000 | |
| 167 | D | A | -0.9188 | |
| 168 | A | A | -0.6225 | |
| 169 | D | A | -0.6615 | |
| 170 | G | A | 0.0000 | |
| 171 | G | A | 0.0000 | |
| 172 | V | A | -0.1099 | |
| 173 | S | A | -0.7963 | |
| 174 | K | A | -1.6517 | |
| 175 | Y | A | -0.6621 | |
| 176 | P | A | -0.7863 | |
| 177 | T | A | -1.2724 | |
| 178 | N | A | 0.0000 | |
| 179 | T | A | -0.3182 | |
| 180 | A | A | 0.0000 | |
| 181 | G | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | K | A | -1.3172 | |
| 184 | Y | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | T | A | 0.0000 | |
| 187 | G | A | -0.2098 | |
| 188 | Y | A | 0.0000 | |
| 189 | C | A | 0.0000 | |
| 190 | D | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | Q | A | -0.2896 | |
| 193 | C | A | 0.0000 | |
| 194 | P | A | 0.0000 | |
| 195 | R | A | -0.5800 | |
| 196 | D | A | -0.4105 | |
| 197 | L | A | 0.0000 | |
| 198 | K | A | 0.0000 | |
| 199 | F | A | 0.0000 | |
| 200 | I | A | 0.0000 | |
| 201 | N | A | -0.5664 | |
| 202 | G | A | 0.0000 | |
| 203 | Q | A | -1.3201 | |
| 204 | A | A | 0.0000 | |
| 205 | N | A | 0.0000 | |
| 206 | V | A | -1.2883 | |
| 207 | E | A | -2.1924 | |
| 208 | G | A | -1.6265 | |
| 209 | W | A | -1.3944 | |
| 210 | E | A | -2.0609 | |
| 211 | P | A | -1.4996 | |
| 212 | S | A | -1.2617 | |
| 213 | S | A | -1.1601 | |
| 214 | N | A | -1.4418 | |
| 215 | N | A | -1.2554 | |
| 216 | A | A | -1.3505 | |
| 217 | N | A | -2.1366 | |
| 218 | T | A | -1.4296 | |
| 219 | G | A | 0.0000 | |
| 220 | I | A | -0.6619 | |
| 221 | G | A | 0.0000 | |
| 222 | G | A | -1.7712 | |
| 223 | H | A | -1.4076 | |
| 224 | G | A | 0.0000 | |
| 225 | S | A | 0.0000 | |
| 226 | C | A | 0.0000 | |
| 227 | C | A | 0.0000 | |
| 228 | S | A | 0.0000 | |
| 229 | E | A | 0.0000 | |
| 230 | M | A | 0.0000 | |
| 231 | D | A | 0.0000 | |
| 232 | I | A | 0.0000 | |
| 233 | W | A | 0.0000 | |
| 234 | E | A | -0.1867 | |
| 235 | A | A | 0.0000 | |
| 236 | N | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | I | A | 0.2835 | |
| 239 | S | A | 0.0000 | |
| 240 | E | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | T | A | 0.0000 | |
| 244 | P | A | 0.0000 | |
| 245 | H | A | 0.0000 | |
| 246 | P | A | 0.0000 | |
| 247 | C | A | 0.0000 | |
| 248 | T | A | -0.4030 | |
| 249 | T | A | -0.3679 | |
| 250 | V | A | -0.3241 | |
| 251 | G | A | -0.5732 | |
| 252 | Q | A | -0.5737 | |
| 253 | E | A | -0.6475 | |
| 254 | I | A | -0.2711 | |
| 255 | C | A | -1.2143 | |
| 256 | E | A | -2.3824 | |
| 257 | G | A | -2.2761 | |
| 258 | D | A | -3.2286 | |
| 259 | G | A | -2.3653 | |
| 260 | C | A | 0.0000 | |
| 261 | G | A | 0.0000 | |
| 262 | G | A | 0.0000 | |
| 263 | T | A | -0.5664 | |
| 264 | Y | A | -0.7156 | |
| 265 | S | A | -2.0496 | |
| 266 | D | A | -2.9484 | |
| 267 | N | A | -2.6533 | |
| 268 | R | A | -1.6119 | |
| 269 | Y | A | -0.4629 | |
| 270 | G | A | -1.1638 | |
| 271 | G | A | -0.9626 | |
| 272 | T | A | -0.4035 | |
| 273 | C | A | 0.0000 | |
| 274 | D | A | 0.0000 | |
| 275 | P | A | 0.0000 | |
| 276 | D | A | -0.8277 | |
| 277 | G | A | 0.0000 | |
| 278 | C | A | 0.0000 | |
| 279 | D | A | -0.3807 | |
| 280 | W | A | 0.0000 | |
| 281 | N | A | 0.0000 | |
| 282 | P | A | 0.0000 | |
| 283 | Y | A | -0.3304 | |
| 284 | R | A | -0.3936 | |
| 285 | L | A | -0.8493 | |
| 286 | G | A | -1.1843 | |
| 287 | N | A | -1.1455 | |
| 288 | T | A | -0.5063 | |
| 289 | S | A | -0.3623 | |
| 290 | F | A | 0.0000 | |
| 291 | Y | A | 0.0000 | |
| 292 | G | A | 0.0000 | |
| 293 | P | A | -0.3445 | |
| 294 | G | A | -0.4936 | |
| 295 | S | A | -0.4257 | |
| 296 | S | A | -0.1949 | |
| 297 | F | A | 0.1565 | |
| 298 | T | A | 0.0599 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -1.0481 | |
| 301 | T | A | 0.0000 | |
| 302 | T | A | -1.4862 | |
| 303 | K | A | -2.6029 | |
| 304 | K | A | -2.7444 | |
| 305 | L | A | 0.0000 | |
| 306 | T | A | -0.5782 | |
| 307 | V | A | 0.0000 | |
| 308 | V | A | 0.0000 | |
| 309 | T | A | 0.0000 | |
| 310 | Q | A | -0.4413 | |
| 311 | F | A | 0.0000 | |
| 312 | E | A | -0.9795 | |
| 313 | T | A | -0.6823 | |
| 314 | S | A | -0.6239 | |
| 315 | G | A | -1.0369 | |
| 316 | A | A | 0.0000 | |
| 317 | I | A | 0.0000 | |
| 318 | N | A | -0.8032 | |
| 319 | R | A | 0.0000 | |
| 320 | Y | A | -0.2546 | |
| 321 | Y | A | 0.0000 | |
| 322 | V | A | 0.1757 | |
| 323 | Q | A | 0.0000 | |
| 324 | N | A | -1.3880 | |
| 325 | G | A | -0.1942 | |
| 326 | V | A | 1.1339 | |
| 327 | T | A | 0.5093 | |
| 328 | F | A | 0.2140 | |
| 329 | Q | A | -1.2442 | |
| 330 | Q | A | 0.0000 | |
| 331 | P | A | -1.2497 | |
| 332 | N | A | -2.3631 | |
| 333 | A | A | 0.0000 | |
| 334 | E | A | -2.4306 | |
| 335 | L | A | 0.0000 | |
| 336 | G | A | -1.2472 | |
| 337 | S | A | -1.2147 | |
| 338 | Y | A | 0.0000 | |
| 339 | S | A | -1.7270 | |
| 340 | G | A | -1.6268 | |
| 341 | N | A | -1.6540 | |
| 342 | E | A | -1.5277 | |
| 343 | L | A | 0.0000 | |
| 344 | N | A | -1.6409 | |
| 345 | D | A | -2.1115 | |
| 346 | D | A | -2.5035 | |
| 347 | Y | A | 0.0000 | |
| 348 | C | A | 0.0000 | |
| 349 | T | A | -1.4350 | |
| 350 | A | A | 0.0000 | |
| 351 | E | A | 0.0000 | |
| 352 | E | A | -0.8641 | |
| 353 | A | A | -0.8426 | |
| 354 | E | A | -1.3095 | |
| 355 | F | A | -0.6733 | |
| 356 | G | A | -0.9814 | |
| 357 | G | A | -1.1189 | |
| 358 | S | A | -1.1055 | |
| 359 | S | A | -1.1267 | |
| 360 | F | A | 0.0000 | |
| 361 | S | A | -1.5590 | |
| 362 | D | A | -2.0829 | |
| 363 | K | A | -1.4562 | |
| 364 | G | A | -1.1336 | |
| 365 | G | A | 0.0000 | |
| 366 | L | A | 0.0000 | |
| 367 | T | A | -0.9660 | |
| 368 | Q | A | -0.9578 | |
| 369 | F | A | 0.0000 | |
| 370 | K | A | -1.4871 | |
| 371 | K | A | -1.9999 | |
| 372 | A | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | S | A | -0.9912 | |
| 375 | G | A | -0.9192 | |
| 376 | G | A | -0.9605 | |
| 377 | M | A | 0.0000 | |
| 378 | V | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | V | A | 0.0000 | |
| 381 | M | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | L | A | 0.0000 | |
| 384 | W | A | 0.3167 | |
| 385 | D | A | 0.0000 | |
| 386 | D | A | 0.0000 | |
| 387 | Y | A | 0.5721 | |
| 388 | Y | A | 1.0713 | |
| 389 | A | A | 0.7094 | |
| 390 | N | A | 0.4798 | |
| 391 | M | A | 0.0000 | |
| 392 | L | A | 0.0000 | |
| 393 | W | A | 0.2918 | |
| 394 | L | A | 0.0000 | |
| 395 | D | A | 0.0000 | |
| 396 | S | A | 0.0000 | |
| 397 | T | A | -0.1856 | |
| 398 | Y | A | 0.0982 | |
| 399 | P | A | -0.3677 | |
| 400 | T | A | -0.7422 | |
| 401 | N | A | -1.5456 | |
| 402 | E | A | -1.2174 | |
| 403 | T | A | -0.7267 | |
| 404 | S | A | -0.3874 | |
| 405 | S | A | -0.4461 | |
| 406 | T | A | -0.4088 | |
| 407 | P | A | -0.5519 | |
| 408 | G | A | -0.3712 | |
| 409 | A | A | 0.0000 | |
| 410 | V | A | 0.0256 | |
| 411 | R | A | 0.0105 | |
| 412 | G | A | 0.0000 | |
| 413 | S | A | -0.1280 | |
| 414 | C | A | 0.0000 | |
| 415 | S | A | -0.3473 | |
| 416 | T | A | -0.2717 | |
| 417 | S | A | -0.1544 | |
| 418 | S | A | -0.1051 | |
| 419 | G | A | 0.0000 | |
| 420 | V | A | 0.7750 | |
| 421 | P | A | 0.0000 | |
| 422 | A | A | -0.5855 | |
| 423 | Q | A | -1.2219 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | 0.0000 | |
| 426 | S | A | -1.3097 | |
| 427 | Q | A | -1.8382 | |
| 428 | S | A | -1.4940 | |
| 429 | P | A | -1.3120 | |
| 430 | N | A | -1.8305 | |
| 431 | A | A | 0.0000 | |
| 432 | K | A | -1.3954 | |
| 433 | V | A | 0.0000 | |
| 434 | T | A | -0.7369 | |
| 435 | F | A | 0.0000 | |
| 436 | S | A | -0.7178 | |
| 437 | N | A | -0.6086 | |
| 438 | I | A | 0.0000 | |
| 439 | K | A | 0.0000 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | 0.0000 | |
| 442 | P | A | -0.3166 | |
| 443 | I | A | 0.0502 | |
| 444 | G | A | -0.5909 | |
| 445 | S | A | 0.0000 | |
| 446 | T | A | 0.0000 | |
| 447 | G | A | -1.0495 | |
| 448 | N | A | -1.7109 | |
| 449 | P | A | -1.3577 | |
| 450 | S | A | -1.4684 | |
| 451 | G | A | -1.5420 | |
| 452 | G | A | -1.7152 | |
| 453 | N | A | -1.9455 | |
| 454 | P | A | -1.4234 | |
| 455 | P | A | -1.2501 | |
| 456 | G | A | -1.5915 | |
| 457 | G | A | -1.8904 | |
| 458 | N | A | -2.6480 | |
| 459 | R | A | -2.8692 | |
| 460 | G | A | -1.7901 | |
| 461 | T | A | -0.9629 | |
| 462 | T | A | -0.6609 | |
| 463 | T | A | -0.6061 | |
| 464 | T | A | -1.3882 | |
| 465 | R | A | -2.8400 | |
| 466 | R | A | -2.8768 | |
| 467 | P | A | -1.6643 | |
| 468 | A | A | -0.5249 | |
| 469 | T | A | -0.4008 | |
| 470 | T | A | -0.2706 | |
| 471 | T | A | -0.4208 | |
| 472 | G | A | -0.7163 | |
| 473 | S | A | -0.6955 | |
| 474 | S | A | -0.7043 | |
| 475 | P | A | -0.5781 | |
| 476 | G | A | -0.5323 | |
| 477 | P | A | -0.3264 | |
| 478 | T | A | 0.0225 | |
| 479 | Q | A | 0.0629 | |
| 480 | S | A | -0.0218 | |
| 481 | H | A | -0.0316 | |
| 482 | Y | A | 0.9877 | |
| 483 | G | A | 0.2052 | |
| 484 | Q | A | 0.5414 | |
| 485 | C | A | 0.0000 | |
| 486 | G | A | 1.0047 | |
| 487 | G | A | 1.7717 | |
| 488 | I | A | 2.2305 | |
| 489 | G | A | 0.6085 | |
| 490 | Y | A | 0.7118 | |
| 491 | S | A | -0.2007 | |
| 492 | G | A | -0.2010 | |
| 493 | P | A | 0.0366 | |
| 494 | T | A | 0.5243 | |
| 495 | V | A | 1.4710 | |
| 496 | C | A | 0.6683 | |
| 497 | A | A | 0.1515 | |
| 498 | S | A | -0.3425 | |
| 499 | G | A | -0.5325 | |
| 500 | T | A | 0.1249 | |
| 501 | T | A | 0.4732 | |
| 502 | C | A | 0.9520 | |
| 503 | Q | A | 0.6049 | |
| 504 | V | A | 1.9913 | |
| 505 | L | A | 1.7210 | |
| 506 | N | A | 0.8565 | |
| 507 | P | A | 1.1914 | |
| 508 | Y | A | 2.3065 | |
| 509 | Y | A | 1.7845 | |
| 510 | S | A | 0.0000 | |
| 511 | Q | A | 0.6496 | |
| 512 | C | A | 0.0000 | |
| 513 | L | A | 0.9061 |
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 | -0.1869 | 5.7289 | View | CSV | PDB |
| 4.5 | -0.2153 | 5.7289 | View | CSV | PDB |
| 5.0 | -0.2501 | 5.7289 | View | CSV | PDB |
| 5.5 | -0.2857 | 5.7289 | View | CSV | PDB |
| 6.0 | -0.316 | 5.7289 | View | CSV | PDB |
| 6.5 | -0.3353 | 5.7289 | View | CSV | PDB |
| 7.0 | -0.3428 | 5.7289 | View | CSV | PDB |
| 7.5 | -0.3423 | 5.7289 | View | CSV | PDB |
| 8.0 | -0.3376 | 5.7289 | View | CSV | PDB |
| 8.5 | -0.3294 | 5.7289 | View | CSV | PDB |
| 9.0 | -0.3172 | 5.7289 | 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