| Chain sequence(s) | MGCVCSSNPEDDWMENIDVCENCHYPIVPLDSKSTLPIRTGSEVRDPLVTYEGSLPPASPLQDNLVIALHSYEPSHDGDLGFEKGEQLRILEQSGEWWKAQSLTTGQEGFIPFNFVAKANSLEPEPWFFKNLSRKDAERQLLAPGNTHGSFLIRESESTAGSFSLSVRDFDQNQGEVVKHYKIRNLDNGGFYISPRITFPGLHDLVRHYTNASDGLCTKLSRPCQTQKPQKPWWEDEWEVPRETLKLVERLGAGQFGEVWMGYYNGHTKVAVKSLKQGSMSPDAFLAEANLMKQLQHPRLVRLYAVVTQEPIYIITEYMENGSLVDFLKTPSGIKLNVNKLLDMAAQIAEGMAFIEEQNYIHRDLRAANILVSDTLSCKIADFGLARLIEDNEYTAREGAKFPIKWTAPEAINYGTFTIKSDVWSFGILLTEIVTHGRIPYPGMTNPEVIQNLEKGYRMVRPDNCPEELYHLMMLCWKERPEDRPTFDYLRSVLDDFFTATEGQYQPQP input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 (00:11:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ffefb50e7c9a62/tmp/folded.pdb (00:11:01)
[INFO] Main: Simulation completed successfully. (00:19:25)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.9557 | |
| 2 | G | A | 0.8624 | |
| 3 | C | A | 1.7907 | |
| 4 | V | A | 2.3372 | |
| 5 | C | A | 1.6223 | |
| 6 | S | A | 0.1590 | |
| 7 | S | A | -1.0275 | |
| 8 | N | A | -2.1771 | |
| 9 | P | A | -2.4077 | |
| 10 | E | A | -3.4263 | |
| 11 | D | A | -3.2643 | |
| 12 | D | A | -2.5469 | |
| 13 | W | A | -0.4232 | |
| 14 | M | A | -0.0358 | |
| 15 | E | A | -1.7863 | |
| 16 | N | A | -1.6384 | |
| 17 | I | A | 0.1018 | |
| 18 | D | A | -1.0053 | |
| 19 | V | A | 0.1825 | |
| 20 | C | A | -0.4575 | |
| 21 | E | A | -2.2329 | |
| 22 | N | A | -1.6801 | |
| 23 | C | A | -0.2731 | |
| 24 | H | A | -0.6542 | |
| 25 | Y | A | 1.1702 | |
| 26 | P | A | 1.2307 | |
| 27 | I | A | 2.1084 | |
| 28 | V | A | 2.4178 | |
| 29 | P | A | 0.9304 | |
| 30 | L | A | 0.8901 | |
| 31 | D | A | -1.3554 | |
| 32 | S | A | -1.6513 | |
| 33 | K | A | -2.1248 | |
| 34 | S | A | -0.8295 | |
| 35 | T | A | 0.1204 | |
| 36 | L | A | 1.6201 | |
| 37 | P | A | 1.1895 | |
| 38 | I | A | 1.3075 | |
| 39 | R | A | -0.9163 | |
| 40 | T | A | -0.7571 | |
| 41 | G | A | -1.2643 | |
| 42 | S | A | -0.9269 | |
| 43 | E | A | -1.5814 | |
| 44 | V | A | -0.4778 | |
| 45 | R | A | -2.4315 | |
| 46 | D | A | -1.9307 | |
| 47 | P | A | -0.1708 | |
| 48 | L | A | 2.0356 | |
| 49 | V | A | 2.3577 | |
| 50 | T | A | 1.2609 | |
| 51 | Y | A | 0.8886 | |
| 52 | E | A | -1.0948 | |
| 53 | G | A | -0.6493 | |
| 54 | S | A | -0.0988 | |
| 55 | L | A | 0.9205 | |
| 56 | P | A | 0.2467 | |
| 57 | P | A | -0.0435 | |
| 58 | A | A | -0.1930 | |
| 59 | S | A | -0.2920 | |
| 60 | P | A | -0.4004 | |
| 61 | L | A | 0.3384 | |
| 62 | Q | A | -1.4494 | |
| 63 | D | A | -2.3889 | |
| 64 | N | A | -1.6508 | |
| 65 | L | A | -1.1147 | |
| 66 | V | A | 0.0000 | |
| 67 | I | A | -0.9594 | |
| 68 | A | A | 0.0000 | |
| 69 | L | A | -1.0873 | |
| 70 | H | A | -1.7746 | |
| 71 | S | A | -2.2021 | |
| 72 | Y | A | 0.0000 | |
| 73 | E | A | -2.3845 | |
| 74 | P | A | -1.6350 | |
| 75 | S | A | -1.3653 | |
| 76 | H | A | -1.5673 | |
| 77 | D | A | -2.1806 | |
| 78 | G | A | -1.7289 | |
| 79 | D | A | -1.4421 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -1.6228 | |
| 82 | F | A | 0.0000 | |
| 83 | E | A | -3.1669 | |
| 84 | K | A | -2.8057 | |
| 85 | G | A | -1.6288 | |
| 86 | E | A | -1.3747 | |
| 87 | Q | A | -1.0269 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -1.4090 | |
| 90 | I | A | 0.0000 | |
| 91 | L | A | -1.2624 | |
| 92 | E | A | -2.4810 | |
| 93 | Q | A | -2.1067 | |
| 94 | S | A | -1.6160 | |
| 95 | G | A | -1.3246 | |
| 96 | E | A | -0.9160 | |
| 97 | W | A | 0.0000 | |
| 98 | W | A | -0.8530 | |
| 99 | K | A | -1.5568 | |
| 100 | A | A | 0.0000 | |
| 101 | Q | A | -1.7101 | |
| 102 | S | A | 0.0000 | |
| 103 | L | A | 0.3721 | |
| 104 | T | A | -0.1344 | |
| 105 | T | A | -0.6088 | |
| 106 | G | A | -1.2136 | |
| 107 | Q | A | -2.2242 | |
| 108 | E | A | -2.6306 | |
| 109 | G | A | -1.5117 | |
| 110 | F | A | -0.6276 | |
| 111 | I | A | 0.0000 | |
| 112 | P | A | 0.0000 | |
| 113 | F | A | 0.0814 | |
| 114 | N | A | -0.5779 | |
| 115 | F | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | K | A | -1.7754 | |
| 119 | A | A | -1.5058 | |
| 120 | N | A | -1.8377 | |
| 121 | S | A | -1.1102 | |
| 122 | L | A | -0.7531 | |
| 123 | E | A | -1.0363 | |
| 124 | P | A | -0.6040 | |
| 125 | E | A | -0.6332 | |
| 126 | P | A | -0.6954 | |
| 127 | W | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | F | A | -1.0902 | |
| 130 | K | A | -2.2316 | |
| 131 | N | A | -2.4042 | |
| 132 | L | A | -1.5201 | |
| 133 | S | A | -1.4039 | |
| 134 | R | A | -1.3934 | |
| 135 | K | A | -1.1458 | |
| 136 | D | A | -0.9695 | |
| 137 | A | A | 0.0000 | |
| 138 | E | A | -0.6096 | |
| 139 | R | A | -0.7282 | |
| 140 | Q | A | -0.8973 | |
| 141 | L | A | 0.0000 | |
| 142 | L | A | -0.0547 | |
| 143 | A | A | -0.4363 | |
| 144 | P | A | -0.7023 | |
| 145 | G | A | -0.7297 | |
| 146 | N | A | 0.0000 | |
| 147 | T | A | -0.7403 | |
| 148 | H | A | -0.9358 | |
| 149 | G | A | 0.0000 | |
| 150 | S | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | L | A | 0.0000 | |
| 153 | I | A | 0.0000 | |
| 154 | R | A | 0.0000 | |
| 155 | E | A | -2.0070 | |
| 156 | S | A | 0.0000 | |
| 157 | E | A | -2.3489 | |
| 158 | S | A | -1.2753 | |
| 159 | T | A | -1.0639 | |
| 160 | A | A | -0.7358 | |
| 161 | G | A | -1.0935 | |
| 162 | S | A | 0.0000 | |
| 163 | F | A | -1.0187 | |
| 164 | S | A | 0.0000 | |
| 165 | L | A | 0.0000 | |
| 166 | S | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | R | A | 0.0000 | |
| 169 | D | A | -0.0349 | |
| 170 | F | A | 0.2488 | |
| 171 | D | A | -1.3041 | |
| 172 | Q | A | -2.1390 | |
| 173 | N | A | -2.5163 | |
| 174 | Q | A | -2.2741 | |
| 175 | G | A | -1.5040 | |
| 176 | E | A | -1.0415 | |
| 177 | V | A | -0.3959 | |
| 178 | V | A | -0.1261 | |
| 179 | K | A | -0.4074 | |
| 180 | H | A | 0.0000 | |
| 181 | Y | A | 0.0000 | |
| 182 | K | A | -1.3617 | |
| 183 | I | A | 0.0000 | |
| 184 | R | A | -1.9410 | |
| 185 | N | A | -2.0235 | |
| 186 | L | A | -1.7529 | |
| 187 | D | A | -2.6834 | |
| 188 | N | A | -2.3670 | |
| 189 | G | A | -1.7270 | |
| 190 | G | A | -1.2620 | |
| 191 | F | A | -0.9274 | |
| 192 | Y | A | -0.7005 | |
| 193 | I | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | P | A | -1.3363 | |
| 196 | R | A | -2.0439 | |
| 197 | I | A | -0.7486 | |
| 198 | T | A | -0.6633 | |
| 199 | F | A | 0.0000 | |
| 200 | P | A | -0.8284 | |
| 201 | G | A | -0.7882 | |
| 202 | L | A | 0.0000 | |
| 203 | H | A | -1.6688 | |
| 204 | D | A | -2.0898 | |
| 205 | L | A | 0.0000 | |
| 206 | V | A | 0.0000 | |
| 207 | R | A | -2.7967 | |
| 208 | H | A | -2.1745 | |
| 209 | Y | A | 0.0000 | |
| 210 | T | A | -2.2017 | |
| 211 | N | A | -2.2551 | |
| 212 | A | A | -1.6415 | |
| 213 | S | A | -1.3763 | |
| 214 | D | A | -1.4764 | |
| 215 | G | A | -1.1704 | |
| 216 | L | A | 0.0000 | |
| 217 | C | A | -0.2804 | |
| 218 | T | A | -0.8192 | |
| 219 | K | A | -2.2063 | |
| 220 | L | A | 0.0000 | |
| 221 | S | A | -1.4060 | |
| 222 | R | A | -1.5472 | |
| 223 | P | A | -0.9167 | |
| 224 | C | A | 0.0000 | |
| 225 | Q | A | -1.7570 | |
| 226 | T | A | -1.6483 | |
| 227 | Q | A | -2.4865 | |
| 228 | K | A | -2.8369 | |
| 229 | P | A | -2.0107 | |
| 230 | Q | A | -2.1327 | |
| 231 | K | A | -1.3270 | |
| 232 | P | A | 0.0000 | |
| 233 | W | A | -0.9969 | |
| 234 | W | A | 0.0000 | |
| 235 | E | A | -2.8570 | |
| 236 | D | A | -3.0531 | |
| 237 | E | A | -2.1621 | |
| 238 | W | A | -1.9659 | |
| 239 | E | A | -2.3053 | |
| 240 | V | A | 0.0000 | |
| 241 | P | A | -1.5282 | |
| 242 | R | A | -2.0041 | |
| 243 | E | A | -2.5273 | |
| 244 | T | A | -1.8033 | |
| 245 | L | A | -1.5280 | |
| 246 | K | A | -1.9930 | |
| 247 | L | A | -0.1465 | |
| 248 | V | A | 0.1825 | |
| 249 | E | A | -1.7169 | |
| 250 | R | A | -1.8908 | |
| 251 | L | A | -0.3951 | |
| 252 | G | A | -0.6530 | |
| 253 | A | A | -0.7679 | |
| 254 | G | A | -1.2333 | |
| 255 | Q | A | -1.8253 | |
| 256 | F | A | -1.0989 | |
| 257 | G | A | 0.0000 | |
| 258 | E | A | -1.2591 | |
| 259 | V | A | -0.3508 | |
| 260 | W | A | -0.4852 | |
| 261 | M | A | -0.6133 | |
| 262 | G | A | 0.0000 | |
| 263 | Y | A | -0.9486 | |
| 264 | Y | A | 0.0000 | |
| 265 | N | A | -2.3538 | |
| 266 | G | A | -1.9317 | |
| 267 | H | A | -1.9424 | |
| 268 | T | A | -1.3341 | |
| 269 | K | A | -1.5263 | |
| 270 | V | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | V | A | 0.0000 | |
| 273 | K | A | -0.4913 | |
| 274 | S | A | -0.7736 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -2.8100 | |
| 277 | Q | A | -2.4512 | |
| 278 | G | A | -1.7798 | |
| 279 | S | A | -1.4797 | |
| 280 | M | A | 0.0000 | |
| 281 | S | A | -1.1275 | |
| 282 | P | A | -1.3164 | |
| 283 | D | A | -1.7546 | |
| 284 | A | A | -1.0255 | |
| 285 | F | A | 0.0000 | |
| 286 | L | A | -0.6166 | |
| 287 | A | A | -0.3768 | |
| 288 | E | A | -0.4628 | |
| 289 | A | A | 0.0000 | |
| 290 | N | A | -0.6210 | |
| 291 | L | A | -0.2431 | |
| 292 | M | A | 0.0000 | |
| 293 | K | A | -1.5568 | |
| 294 | Q | A | -1.9287 | |
| 295 | L | A | 0.0000 | |
| 296 | Q | A | -1.9045 | |
| 297 | H | A | -1.1204 | |
| 298 | P | A | -0.7214 | |
| 299 | R | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | R | A | -1.0588 | |
| 303 | L | A | -0.6750 | |
| 304 | Y | A | 0.0000 | |
| 305 | A | A | 0.0000 | |
| 306 | V | A | 0.0000 | |
| 307 | V | A | 0.0000 | |
| 308 | T | A | -1.4724 | |
| 309 | Q | A | -1.8750 | |
| 310 | E | A | -2.0270 | |
| 311 | P | A | -1.7638 | |
| 312 | I | A | 0.0000 | |
| 313 | Y | A | -0.7295 | |
| 314 | I | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | T | A | -0.2717 | |
| 317 | E | A | -0.5962 | |
| 318 | Y | A | -0.5854 | |
| 319 | M | A | 0.0000 | |
| 320 | E | A | -2.5957 | |
| 321 | N | A | -2.1262 | |
| 322 | G | A | -1.3119 | |
| 323 | S | A | -0.8825 | |
| 324 | L | A | 0.0000 | |
| 325 | V | A | -1.0360 | |
| 326 | D | A | -2.3024 | |
| 327 | F | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | K | A | -2.3543 | |
| 330 | T | A | -1.2805 | |
| 331 | P | A | -0.6066 | |
| 332 | S | A | -0.5992 | |
| 333 | G | A | 0.0000 | |
| 334 | I | A | -0.0008 | |
| 335 | K | A | -1.4889 | |
| 336 | L | A | -1.0394 | |
| 337 | N | A | -1.6187 | |
| 338 | V | A | -1.1314 | |
| 339 | N | A | -1.3731 | |
| 340 | K | A | -1.5163 | |
| 341 | L | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | D | A | -0.8759 | |
| 344 | M | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | Q | A | 0.0000 | |
| 348 | I | A | 0.0000 | |
| 349 | A | A | 0.0000 | |
| 350 | E | A | -0.9590 | |
| 351 | G | A | 0.0000 | |
| 352 | M | A | 0.0000 | |
| 353 | A | A | 0.0000 | |
| 354 | F | A | -1.3898 | |
| 355 | I | A | 0.0000 | |
| 356 | E | A | -1.9442 | |
| 357 | E | A | -2.8298 | |
| 358 | Q | A | -2.2308 | |
| 359 | N | A | -2.1098 | |
| 360 | Y | A | 0.0000 | |
| 361 | I | A | -0.1762 | |
| 362 | H | A | 0.0000 | |
| 363 | R | A | -0.5494 | |
| 364 | D | A | -0.4693 | |
| 365 | L | A | 0.0000 | |
| 366 | R | A | -0.3544 | |
| 367 | A | A | 0.0000 | |
| 368 | A | A | -0.3722 | |
| 369 | N | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | L | A | -0.4061 | |
| 372 | V | A | 0.0000 | |
| 373 | S | A | -1.5871 | |
| 374 | D | A | -2.5295 | |
| 375 | T | A | -1.1606 | |
| 376 | L | A | -0.7342 | |
| 377 | S | A | -0.4379 | |
| 378 | C | A | 0.0000 | |
| 379 | K | A | -0.2755 | |
| 380 | I | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | D | A | -0.6331 | |
| 383 | F | A | 0.0000 | |
| 384 | G | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | A | A | -0.4961 | |
| 387 | R | A | -0.9257 | |
| 388 | L | A | 0.0000 | |
| 389 | I | A | -0.9418 | |
| 390 | E | A | -2.4858 | |
| 391 | D | A | -2.3232 | |
| 392 | N | A | -2.5255 | |
| 393 | E | A | -2.8793 | |
| 394 | Y | A | -0.4938 | |
| 395 | T | A | -0.9772 | |
| 396 | A | A | -1.4958 | |
| 397 | R | A | -3.2037 | |
| 398 | E | A | -3.4252 | |
| 399 | G | A | -2.3913 | |
| 400 | A | A | -1.9399 | |
| 401 | K | A | -1.8634 | |
| 402 | F | A | -0.0222 | |
| 403 | P | A | -0.1939 | |
| 404 | I | A | 0.0000 | |
| 405 | K | A | 0.0000 | |
| 406 | W | A | 0.0403 | |
| 407 | T | A | 0.0000 | |
| 408 | A | A | 0.0000 | |
| 409 | P | A | -0.9720 | |
| 410 | E | A | -0.6718 | |
| 411 | A | A | 0.0000 | |
| 412 | I | A | 0.0000 | |
| 413 | N | A | -0.5790 | |
| 414 | Y | A | 0.7897 | |
| 415 | G | A | 0.2563 | |
| 416 | T | A | 0.0727 | |
| 417 | F | A | 0.3313 | |
| 418 | T | A | -0.0380 | |
| 419 | I | A | -0.0277 | |
| 420 | K | A | -0.9101 | |
| 421 | S | A | 0.0000 | |
| 422 | D | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | W | A | 0.0000 | |
| 425 | S | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | T | A | 0.0000 | |
| 432 | E | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | V | A | -0.5968 | |
| 435 | T | A | -0.7683 | |
| 436 | H | A | -0.8302 | |
| 437 | G | A | 0.0000 | |
| 438 | R | A | -1.1157 | |
| 439 | I | A | 1.0126 | |
| 440 | P | A | 0.0000 | |
| 441 | Y | A | 0.0000 | |
| 442 | P | A | -0.1996 | |
| 443 | G | A | -0.4228 | |
| 444 | M | A | -0.5711 | |
| 445 | T | A | -0.9817 | |
| 446 | N | A | -1.5930 | |
| 447 | P | A | -1.9004 | |
| 448 | E | A | -2.1247 | |
| 449 | V | A | 0.0000 | |
| 450 | I | A | -1.6194 | |
| 451 | Q | A | -2.7253 | |
| 452 | N | A | -2.2089 | |
| 453 | L | A | 0.0000 | |
| 454 | E | A | -3.2651 | |
| 455 | K | A | -2.9347 | |
| 456 | G | A | -2.1976 | |
| 457 | Y | A | -0.5033 | |
| 458 | R | A | -0.1160 | |
| 459 | M | A | 0.0000 | |
| 460 | V | A | 1.2182 | |
| 461 | R | A | -1.0125 | |
| 462 | P | A | -1.3049 | |
| 463 | D | A | -2.3804 | |
| 464 | N | A | -2.3982 | |
| 465 | C | A | 0.0000 | |
| 466 | P | A | -2.1619 | |
| 467 | E | A | -3.2147 | |
| 468 | E | A | -2.8645 | |
| 469 | L | A | 0.0000 | |
| 470 | Y | A | -1.3602 | |
| 471 | H | A | -1.9666 | |
| 472 | L | A | 0.0000 | |
| 473 | M | A | 0.0000 | |
| 474 | M | A | -0.3574 | |
| 475 | L | A | -0.3920 | |
| 476 | C | A | 0.0000 | |
| 477 | W | A | 0.0000 | |
| 478 | K | A | -2.5646 | |
| 479 | E | A | -3.7026 | |
| 480 | R | A | -3.8429 | |
| 481 | P | A | -2.7896 | |
| 482 | E | A | -3.2428 | |
| 483 | D | A | -2.8149 | |
| 484 | R | A | 0.0000 | |
| 485 | P | A | -0.7171 | |
| 486 | T | A | -0.8710 | |
| 487 | F | A | 0.0000 | |
| 488 | D | A | -2.0056 | |
| 489 | Y | A | -0.3349 | |
| 490 | L | A | 0.0000 | |
| 491 | R | A | -1.5983 | |
| 492 | S | A | -1.0545 | |
| 493 | V | A | -0.5244 | |
| 494 | L | A | 0.0000 | |
| 495 | D | A | -1.2802 | |
| 496 | D | A | -1.5813 | |
| 497 | F | A | -0.5799 | |
| 498 | F | A | -0.0798 | |
| 499 | T | A | -1.0595 | |
| 500 | A | A | -0.8044 | |
| 501 | T | A | -1.0102 | |
| 502 | E | A | -2.2151 | |
| 503 | G | A | -1.9222 | |
| 504 | Q | A | -2.1672 | |
| 505 | Y | A | -1.4001 | |
| 506 | Q | A | -1.5779 | |
| 507 | P | A | -1.4087 | |
| 508 | Q | A | -1.8962 | |
| 509 | P | A | -1.4629 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.3722 | 4.2891 | View | CSV | PDB |
| 4.5 | -0.4525 | 4.2006 | View | CSV | PDB |
| 5.0 | -0.5539 | 4.0956 | View | CSV | PDB |
| 5.5 | -0.6594 | 3.983 | View | CSV | PDB |
| 6.0 | -0.7521 | 3.8676 | View | CSV | PDB |
| 6.5 | -0.8196 | 3.7516 | View | CSV | PDB |
| 7.0 | -0.8581 | 3.636 | View | CSV | PDB |
| 7.5 | -0.874 | 3.5224 | View | CSV | PDB |
| 8.0 | -0.8761 | 3.4506 | View | CSV | PDB |
| 8.5 | -0.868 | 3.4506 | View | CSV | PDB |
| 9.0 | -0.8497 | 3.4506 | 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