| Chain sequence(s) |
A: MLANSASVRILIKGGKVVNDDCTHEADVYIENGIIQQVGRELMIPGGAKVIDATGKLVIPGGIDTSTHFHQTFMNATCVDDFYHGTKAALVGGTTMIIGHVLPDKETSLVDAYEKCRGLADPKVCCDYALHVGITWWAPKVKAEMETLVREKGVNSFQMFMTYKDLYMLRDSELYQVLHACKDIGAIARVHAENGELVAEGAKEALDLGITGPEGIEISRPEELEAEATHRVITIANRTHCPIYLVNVSSISAGDVIAAAKMQGKVVLAETTTAHATLTGLHYYHQDWSHAAAYVTVPPLRLDTNTSTYLMSLLANDTLNIVASDHRPFTTKQKAMGKEDFTKIPHGVSGVQDRMSVIWERGVVGGKMDENRFVAVTSSNAAKLLNLYPRKGRIIPGADADVVVWDPEATKTISASTQVQGGDFNLYENMRCHGVPLVTISRGRVVYENGVFMCAEGTGKFCPLRSFPDTVYKKLVQREKTLKVRGVDRTPYLGDVAVVVHPGKKEMGTPLADTPTRPVTRHGGMRDLHESSFSLSGSQIDDHVPKRASARILAPPGGRSSGIW
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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[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 (00:07:10)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a383162b3b3a414/tmp/folded.pdb (00:07:10)
[INFO] Main: Simulation completed successfully. (00:09:53)
|
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 | 1.6390 | |
| 2 | L | A | 1.7051 | |
| 3 | A | A | 0.4312 | |
| 4 | N | A | -0.7641 | |
| 5 | S | A | -0.5835 | |
| 6 | A | A | -0.4526 | |
| 7 | S | A | -0.5201 | |
| 8 | V | A | -0.6265 | |
| 9 | R | A | -0.9807 | |
| 10 | I | A | 0.0000 | |
| 11 | L | A | 0.0000 | |
| 12 | I | A | 0.0000 | |
| 13 | K | A | -2.3252 | |
| 14 | G | A | -2.3201 | |
| 15 | G | A | 0.0000 | |
| 16 | K | A | -2.1780 | |
| 17 | V | A | 0.0000 | |
| 18 | V | A | 0.0000 | |
| 19 | N | A | 0.0000 | |
| 20 | D | A | -1.5936 | |
| 21 | D | A | -1.9439 | |
| 22 | C | A | -0.8056 | |
| 23 | T | A | -1.1481 | |
| 24 | H | A | -1.5720 | |
| 25 | E | A | -2.9886 | |
| 26 | A | A | 0.0000 | |
| 27 | D | A | 0.0000 | |
| 28 | V | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | E | A | -1.1420 | |
| 32 | N | A | -1.5122 | |
| 33 | G | A | 0.0000 | |
| 34 | I | A | -0.6050 | |
| 35 | I | A | 0.0000 | |
| 36 | Q | A | -1.0699 | |
| 37 | Q | A | -1.0134 | |
| 38 | V | A | -0.9275 | |
| 39 | G | A | -1.7512 | |
| 40 | R | A | -3.1226 | |
| 41 | E | A | -2.4043 | |
| 42 | L | A | -0.8787 | |
| 43 | M | A | 0.4602 | |
| 44 | I | A | 0.1882 | |
| 45 | P | A | -0.1436 | |
| 46 | G | A | -0.7834 | |
| 47 | G | A | -0.8339 | |
| 48 | A | A | -0.7060 | |
| 49 | K | A | -1.0743 | |
| 50 | V | A | -0.0092 | |
| 51 | I | A | 0.0000 | |
| 52 | D | A | -2.1491 | |
| 53 | A | A | 0.0000 | |
| 54 | T | A | -1.6801 | |
| 55 | G | A | -1.5780 | |
| 56 | K | A | -1.5615 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | I | A | 0.0000 | |
| 60 | P | A | 0.0000 | |
| 61 | G | A | 0.0000 | |
| 62 | G | A | 0.0000 | |
| 63 | I | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | T | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | T | A | 0.0000 | |
| 68 | H | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | H | A | -0.5184 | |
| 71 | Q | A | 0.0000 | |
| 72 | T | A | -0.3651 | |
| 73 | F | A | 0.0000 | |
| 74 | M | A | -0.7406 | |
| 75 | N | A | -1.4003 | |
| 76 | A | A | 0.0000 | |
| 77 | T | A | -0.3161 | |
| 78 | C | A | 0.0000 | |
| 79 | V | A | 0.2998 | |
| 80 | D | A | 0.0000 | |
| 81 | D | A | -0.5180 | |
| 82 | F | A | 0.0000 | |
| 83 | Y | A | -0.9783 | |
| 84 | H | A | -0.6377 | |
| 85 | G | A | 0.0000 | |
| 86 | T | A | 0.0000 | |
| 87 | K | A | -0.4258 | |
| 88 | A | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | 0.1981 | |
| 92 | G | A | 0.0000 | |
| 93 | G | A | 0.0000 | |
| 94 | T | A | 0.0000 | |
| 95 | T | A | 0.0000 | |
| 96 | M | A | 0.0000 | |
| 97 | I | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | H | A | 0.0000 | |
| 101 | V | A | 0.0000 | |
| 102 | L | A | -0.3882 | |
| 103 | P | A | 0.0000 | |
| 104 | D | A | -2.8907 | |
| 105 | K | A | -3.4221 | |
| 106 | E | A | -3.2686 | |
| 107 | T | A | -2.4402 | |
| 108 | S | A | -1.7519 | |
| 109 | L | A | 0.0000 | |
| 110 | V | A | -1.3496 | |
| 111 | D | A | -2.7333 | |
| 112 | A | A | -2.1865 | |
| 113 | Y | A | 0.0000 | |
| 114 | E | A | -3.2090 | |
| 115 | K | A | -3.0767 | |
| 116 | C | A | 0.0000 | |
| 117 | R | A | -2.0249 | |
| 118 | G | A | -1.8030 | |
| 119 | L | A | -1.0522 | |
| 120 | A | A | 0.0000 | |
| 121 | D | A | -1.9481 | |
| 122 | P | A | -1.7026 | |
| 123 | K | A | -1.9694 | |
| 124 | V | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | C | A | 0.0000 | |
| 127 | D | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | A | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | H | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | G | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | T | A | 0.0000 | |
| 136 | W | A | 0.0000 | |
| 137 | W | A | -1.2996 | |
| 138 | A | A | -1.1981 | |
| 139 | P | A | -1.4254 | |
| 140 | K | A | -2.2639 | |
| 141 | V | A | 0.0000 | |
| 142 | K | A | -2.0249 | |
| 143 | A | A | -1.5769 | |
| 144 | E | A | -1.6738 | |
| 145 | M | A | 0.0000 | |
| 146 | E | A | -2.6426 | |
| 147 | T | A | -2.0626 | |
| 148 | L | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | R | A | -3.4964 | |
| 151 | E | A | -3.1431 | |
| 152 | K | A | -2.3186 | |
| 153 | G | A | -1.7162 | |
| 154 | V | A | 0.0000 | |
| 155 | N | A | 0.0000 | |
| 156 | S | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | Q | A | 0.0000 | |
| 159 | M | A | 0.0000 | |
| 160 | F | A | 0.0000 | |
| 161 | M | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | Y | A | -0.5879 | |
| 164 | K | A | -1.8187 | |
| 165 | D | A | -2.0939 | |
| 166 | L | A | -0.8211 | |
| 167 | Y | A | -0.6160 | |
| 168 | M | A | -1.1008 | |
| 169 | L | A | 0.0000 | |
| 170 | R | A | -3.0169 | |
| 171 | D | A | -2.9901 | |
| 172 | S | A | -1.9363 | |
| 173 | E | A | -1.9410 | |
| 174 | L | A | 0.0000 | |
| 175 | Y | A | -1.5064 | |
| 176 | Q | A | -1.7210 | |
| 177 | V | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | H | A | -1.7285 | |
| 180 | A | A | 0.0000 | |
| 181 | C | A | 0.0000 | |
| 182 | K | A | 0.0000 | |
| 183 | D | A | -2.0466 | |
| 184 | I | A | 0.0000 | |
| 185 | G | A | 0.0000 | |
| 186 | A | A | 0.0000 | |
| 187 | I | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | R | A | 0.0000 | |
| 190 | V | A | 0.0000 | |
| 191 | H | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | E | A | 0.0000 | |
| 194 | N | A | 0.0000 | |
| 195 | G | A | 0.0000 | |
| 196 | E | A | -1.2834 | |
| 197 | L | A | -0.3443 | |
| 198 | V | A | 0.0000 | |
| 199 | A | A | -1.9182 | |
| 200 | E | A | -2.7473 | |
| 201 | G | A | -1.9714 | |
| 202 | A | A | 0.0000 | |
| 203 | K | A | -3.2890 | |
| 204 | E | A | -3.1915 | |
| 205 | A | A | 0.0000 | |
| 206 | L | A | -1.7112 | |
| 207 | D | A | -2.0774 | |
| 208 | L | A | 0.0080 | |
| 209 | G | A | -0.6410 | |
| 210 | I | A | -0.2331 | |
| 211 | T | A | -1.2248 | |
| 212 | G | A | -0.8720 | |
| 213 | P | A | 0.0000 | |
| 214 | E | A | 0.2636 | |
| 215 | G | A | 0.0000 | |
| 216 | I | A | 0.0000 | |
| 217 | E | A | 0.0000 | |
| 218 | I | A | 0.4546 | |
| 219 | S | A | 0.0000 | |
| 220 | R | A | 0.0000 | |
| 221 | P | A | -0.6475 | |
| 222 | E | A | -1.6611 | |
| 223 | E | A | -2.4328 | |
| 224 | L | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | A | A | -1.7506 | |
| 227 | E | A | -1.8270 | |
| 228 | A | A | 0.0000 | |
| 229 | T | A | 0.0000 | |
| 230 | H | A | -1.6063 | |
| 231 | R | A | -1.5184 | |
| 232 | V | A | 0.0000 | |
| 233 | I | A | 0.0000 | |
| 234 | T | A | -1.3210 | |
| 235 | I | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | N | A | -2.0398 | |
| 238 | R | A | -2.4386 | |
| 239 | T | A | 0.0000 | |
| 240 | H | A | -1.7860 | |
| 241 | C | A | 0.0000 | |
| 242 | P | A | 0.0000 | |
| 243 | I | A | 0.0000 | |
| 244 | Y | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | V | A | 0.0000 | |
| 247 | N | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | S | A | 0.0000 | |
| 250 | S | A | 0.0000 | |
| 251 | I | A | -0.4707 | |
| 252 | S | A | -1.0681 | |
| 253 | A | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | D | A | -1.6744 | |
| 256 | V | A | -0.8554 | |
| 257 | I | A | 0.0000 | |
| 258 | A | A | -0.7214 | |
| 259 | A | A | -0.5739 | |
| 260 | A | A | 0.0000 | |
| 261 | K | A | -0.5416 | |
| 262 | M | A | 0.2681 | |
| 263 | Q | A | -0.9525 | |
| 264 | G | A | -0.7440 | |
| 265 | K | A | -0.9465 | |
| 266 | V | A | -0.4711 | |
| 267 | V | A | 0.0000 | |
| 268 | L | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | E | A | 0.0000 | |
| 271 | T | A | 0.0000 | |
| 272 | T | A | 0.0000 | |
| 273 | T | A | 0.0000 | |
| 274 | A | A | 0.0000 | |
| 275 | H | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | T | A | 0.0000 | |
| 278 | L | A | 0.2334 | |
| 279 | T | A | 0.1951 | |
| 280 | G | A | 0.0000 | |
| 281 | L | A | 1.3072 | |
| 282 | H | A | 0.2129 | |
| 283 | Y | A | 0.0000 | |
| 284 | Y | A | 0.5892 | |
| 285 | H | A | -0.8970 | |
| 286 | Q | A | -1.6416 | |
| 287 | D | A | -1.4350 | |
| 288 | W | A | -1.0348 | |
| 289 | S | A | -1.0775 | |
| 290 | H | A | -0.8896 | |
| 291 | A | A | 0.0000 | |
| 292 | A | A | 0.0000 | |
| 293 | A | A | -0.3460 | |
| 294 | Y | A | 0.0000 | |
| 295 | V | A | 0.0000 | |
| 296 | T | A | 0.0000 | |
| 297 | V | A | 0.0000 | |
| 298 | P | A | 0.0000 | |
| 299 | P | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | R | A | 0.0000 | |
| 302 | L | A | 0.3625 | |
| 303 | D | A | -0.8287 | |
| 304 | T | A | -0.7276 | |
| 305 | N | A | -1.3487 | |
| 306 | T | A | 0.0000 | |
| 307 | S | A | 0.0000 | |
| 308 | T | A | -0.4906 | |
| 309 | Y | A | 0.0612 | |
| 310 | L | A | 0.0000 | |
| 311 | M | A | 0.0000 | |
| 312 | S | A | -0.7173 | |
| 313 | L | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | A | A | -1.4814 | |
| 316 | N | A | -1.9169 | |
| 317 | D | A | -1.6755 | |
| 318 | T | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | N | A | 0.0000 | |
| 321 | I | A | 0.0000 | |
| 322 | V | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | D | A | -0.1836 | |
| 326 | H | A | 0.0000 | |
| 327 | R | A | 0.0000 | |
| 328 | P | A | 0.0000 | |
| 329 | F | A | 0.0000 | |
| 330 | T | A | -1.0392 | |
| 331 | T | A | -1.3080 | |
| 332 | K | A | -2.1709 | |
| 333 | Q | A | -1.3745 | |
| 334 | K | A | 0.0000 | |
| 335 | A | A | -1.7540 | |
| 336 | M | A | -1.5953 | |
| 337 | G | A | 0.0000 | |
| 338 | K | A | -3.1537 | |
| 339 | E | A | -3.1055 | |
| 340 | D | A | -2.3844 | |
| 341 | F | A | 0.0000 | |
| 342 | T | A | -1.5686 | |
| 343 | K | A | -2.5135 | |
| 344 | I | A | 0.0000 | |
| 345 | P | A | 0.0000 | |
| 346 | H | A | 0.0000 | |
| 347 | G | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | S | A | 0.0000 | |
| 350 | G | A | 0.0000 | |
| 351 | V | A | 0.0000 | |
| 352 | Q | A | -0.0925 | |
| 353 | D | A | 0.0000 | |
| 354 | R | A | 0.0000 | |
| 355 | M | A | 0.0000 | |
| 356 | S | A | -0.6166 | |
| 357 | V | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | E | A | -0.5131 | |
| 361 | R | A | -0.7004 | |
| 362 | G | A | 0.0000 | |
| 363 | V | A | -0.6410 | |
| 364 | V | A | 0.1131 | |
| 365 | G | A | -0.7118 | |
| 366 | G | A | -1.1084 | |
| 367 | K | A | -1.6974 | |
| 368 | M | A | 0.0000 | |
| 369 | D | A | -2.2091 | |
| 370 | E | A | -1.4333 | |
| 371 | N | A | -1.5679 | |
| 372 | R | A | -1.7557 | |
| 373 | F | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | A | A | 0.0000 | |
| 376 | V | A | 0.0000 | |
| 377 | T | A | 0.0000 | |
| 378 | S | A | 0.0000 | |
| 379 | S | A | 0.0000 | |
| 380 | N | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.0397 | |
| 384 | L | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | N | A | -1.3364 | |
| 387 | L | A | 0.0000 | |
| 388 | Y | A | -0.7401 | |
| 389 | P | A | -0.9874 | |
| 390 | R | A | -1.6674 | |
| 391 | K | A | 0.0000 | |
| 392 | G | A | 0.0000 | |
| 393 | R | A | -0.8294 | |
| 394 | I | A | 0.0000 | |
| 395 | I | A | -0.1446 | |
| 396 | P | A | -0.6978 | |
| 397 | G | A | -0.8019 | |
| 398 | A | A | 0.0000 | |
| 399 | D | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | D | A | 0.0000 | |
| 402 | V | A | 0.0000 | |
| 403 | V | A | 0.0000 | |
| 404 | V | A | 0.0000 | |
| 405 | W | A | 0.0000 | |
| 406 | D | A | -1.0533 | |
| 407 | P | A | -1.1207 | |
| 408 | E | A | -1.9756 | |
| 409 | A | A | -1.3334 | |
| 410 | T | A | -1.7029 | |
| 411 | K | A | -1.9778 | |
| 412 | T | A | -2.0196 | |
| 413 | I | A | 0.0000 | |
| 414 | S | A | -1.3976 | |
| 415 | A | A | -0.9362 | |
| 416 | S | A | -0.6134 | |
| 417 | T | A | -0.1693 | |
| 418 | Q | A | -0.2395 | |
| 419 | V | A | 0.1511 | |
| 420 | Q | A | 0.0000 | |
| 421 | G | A | 0.0000 | |
| 422 | G | A | -0.8361 | |
| 423 | D | A | -1.8535 | |
| 424 | F | A | -0.9209 | |
| 425 | N | A | 0.0000 | |
| 426 | L | A | 0.0000 | |
| 427 | Y | A | 0.0000 | |
| 428 | E | A | -2.0028 | |
| 429 | N | A | -2.4062 | |
| 430 | M | A | -1.9347 | |
| 431 | R | A | -2.7509 | |
| 432 | C | A | 0.0000 | |
| 433 | H | A | -1.4682 | |
| 434 | G | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | P | A | 0.0000 | |
| 437 | L | A | -0.3426 | |
| 438 | V | A | 0.0000 | |
| 439 | T | A | 0.0000 | |
| 440 | I | A | 0.0000 | |
| 441 | S | A | 0.0000 | |
| 442 | R | A | -1.2926 | |
| 443 | G | A | 0.0000 | |
| 444 | R | A | -1.7473 | |
| 445 | V | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | Y | A | 0.0000 | |
| 448 | E | A | -0.5893 | |
| 449 | N | A | -1.1321 | |
| 450 | G | A | -0.2245 | |
| 451 | V | A | 1.2910 | |
| 452 | F | A | 1.0192 | |
| 453 | M | A | 0.6950 | |
| 454 | C | A | -0.1218 | |
| 455 | A | A | -0.8089 | |
| 456 | E | A | -2.3209 | |
| 457 | G | A | -1.9980 | |
| 458 | T | A | -1.4629 | |
| 459 | G | A | -1.6284 | |
| 460 | K | A | -2.1253 | |
| 461 | F | A | 0.0000 | |
| 462 | C | A | -0.6365 | |
| 463 | P | A | -1.0794 | |
| 464 | L | A | 0.0000 | |
| 465 | R | A | -2.0390 | |
| 466 | S | A | -0.9805 | |
| 467 | F | A | -0.2566 | |
| 468 | P | A | 0.0000 | |
| 469 | D | A | -2.3212 | |
| 470 | T | A | -1.4613 | |
| 471 | V | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | K | A | -2.7838 | |
| 474 | K | A | -2.6046 | |
| 475 | L | A | 0.0000 | |
| 476 | V | A | -1.8765 | |
| 477 | Q | A | -2.7034 | |
| 478 | R | A | -2.5200 | |
| 479 | E | A | -2.5459 | |
| 480 | K | A | -2.7026 | |
| 481 | T | A | -1.2352 | |
| 482 | L | A | -0.3337 | |
| 483 | K | A | -1.3453 | |
| 484 | V | A | 0.5425 | |
| 485 | R | A | -1.2827 | |
| 486 | G | A | -0.9987 | |
| 487 | V | A | -0.1211 | |
| 488 | D | A | -2.2377 | |
| 489 | R | A | -2.1745 | |
| 490 | T | A | -0.7566 | |
| 491 | P | A | 0.0036 | |
| 492 | Y | A | 1.4993 | |
| 493 | L | A | 1.8127 | |
| 494 | G | A | 0.3787 | |
| 495 | D | A | -0.3107 | |
| 496 | V | A | 1.9166 | |
| 497 | A | A | 2.0066 | |
| 498 | V | A | 3.2751 | |
| 499 | V | A | 3.4360 | |
| 500 | V | A | 2.3092 | |
| 501 | H | A | -0.3331 | |
| 502 | P | A | -0.9348 | |
| 503 | G | A | -2.1294 | |
| 504 | K | A | -3.2243 | |
| 505 | K | A | -3.4846 | |
| 506 | E | A | -2.8357 | |
| 507 | M | A | -0.8331 | |
| 508 | G | A | -0.6362 | |
| 509 | T | A | -0.0057 | |
| 510 | P | A | 0.2869 | |
| 511 | L | A | 0.9373 | |
| 512 | A | A | -0.1934 | |
| 513 | D | A | -1.5185 | |
| 514 | T | A | -0.9263 | |
| 515 | P | A | -1.0968 | |
| 516 | T | A | -0.9702 | |
| 517 | R | A | -1.7046 | |
| 518 | P | A | -0.3544 | |
| 519 | V | A | 0.7052 | |
| 520 | T | A | -0.3662 | |
| 521 | R | A | -2.1287 | |
| 522 | H | A | -2.1196 | |
| 523 | G | A | -1.5565 | |
| 524 | G | A | -1.2979 | |
| 525 | M | A | -0.4469 | |
| 526 | R | A | -2.3028 | |
| 527 | D | A | -2.3796 | |
| 528 | L | A | -0.6761 | |
| 529 | H | A | -1.9724 | |
| 530 | E | A | -2.3358 | |
| 531 | S | A | -0.6599 | |
| 532 | S | A | 0.1204 | |
| 533 | F | A | 1.8228 | |
| 534 | S | A | 1.2859 | |
| 535 | L | A | 1.4986 | |
| 536 | S | A | 0.2823 | |
| 537 | G | A | -0.3797 | |
| 538 | S | A | -0.9787 | |
| 539 | Q | A | -1.4592 | |
| 540 | I | A | 0.0042 | |
| 541 | D | A | -1.9333 | |
| 542 | D | A | -2.6438 | |
| 543 | H | A | -1.6134 | |
| 544 | V | A | -0.2611 | |
| 545 | P | A | -1.3979 | |
| 546 | K | A | -2.5841 | |
| 547 | R | A | -2.5219 | |
| 548 | A | A | -1.5568 | |
| 549 | S | A | -1.0559 | |
| 550 | A | A | -0.4539 | |
| 551 | R | A | -0.4724 | |
| 552 | I | A | 1.8183 | |
| 553 | L | A | 2.0079 | |
| 554 | A | A | 0.8624 | |
| 555 | P | A | 0.1895 | |
| 556 | P | A | -0.9016 | |
| 557 | G | A | -1.3029 | |
| 558 | G | A | -1.7530 | |
| 559 | R | A | -2.4164 | |
| 560 | S | A | -1.2726 | |
| 561 | S | A | -0.4851 | |
| 562 | G | A | 0.4248 | |
| 563 | I | A | 2.2846 | |
| 564 | W | A | 2.0279 |
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 | -0.5373 | 4.7596 | View | CSV | PDB |
| 4.5 | -0.598 | 4.7596 | View | CSV | PDB |
| 5.0 | -0.6679 | 4.7596 | View | CSV | PDB |
| 5.5 | -0.734 | 4.7596 | View | CSV | PDB |
| 6.0 | -0.7852 | 4.7596 | View | CSV | PDB |
| 6.5 | -0.8157 | 4.7596 | View | CSV | PDB |
| 7.0 | -0.8269 | 4.7596 | View | CSV | PDB |
| 7.5 | -0.8245 | 4.7596 | View | CSV | PDB |
| 8.0 | -0.8127 | 4.7596 | View | CSV | PDB |
| 8.5 | -0.7917 | 4.7596 | View | CSV | PDB |
| 9.0 | -0.7601 | 4.7596 | 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