| Chain sequence(s) | GADGVGNASGNWHCDSTWLGDRVITTSTRTWALPTYNNHLYKQISSASTGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKRLNFKLFNIQVKEVTTNDGVTTIANNLTSTVQVFSDSEYQLPYVLGSAHQGCLPPFPADVFMIPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFTFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQNQSGSAQNKDLLFSRGSPAGMSVQPKNWLPGPCYRQQRVSKTKTDNNNSNFTWTGASKYNLNGRESIINPGTAMASHKDDKDKFFPMSGVMIFGKESAGASNTALDNVMITDEEEIKATNPVATERFGTVAVNLQSSSTDPATGDVHVMGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQILIKNTPVPANPPAEFSATKFASFITQYSTGQVSVEIEWELQKENSKRWNPEVQYTSNYAKSANVDFTVDNNGLYTEPRPIGTRYLTRPL 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:50)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1438fe09e077d/tmp/folded.pdb (00:03:50)
[INFO] Main: Simulation completed successfully. (00:17:43)
|
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 | |
| 15 | G | A | -1.0193 | |
| 16 | A | A | -1.2060 | |
| 17 | D | A | -1.9172 | |
| 18 | G | A | -1.0198 | |
| 19 | V | A | 0.4763 | |
| 20 | G | A | -0.5808 | |
| 21 | N | A | -1.5147 | |
| 22 | A | A | -1.1171 | |
| 23 | S | A | -1.1866 | |
| 24 | G | A | -1.0892 | |
| 25 | N | A | -1.1215 | |
| 26 | W | A | -0.2772 | |
| 27 | H | A | -1.1132 | |
| 28 | C | A | -1.0468 | |
| 29 | D | A | -1.8450 | |
| 30 | S | A | -0.9285 | |
| 31 | T | A | -0.4013 | |
| 32 | W | A | -0.3223 | |
| 33 | L | A | -0.1826 | |
| 34 | G | A | -1.3389 | |
| 35 | D | A | -2.6158 | |
| 36 | R | A | -2.1604 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.6898 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | 0.0000 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.3809 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6571 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0702 | |
| 49 | T | A | -0.1966 | |
| 50 | Y | A | -0.1622 | |
| 51 | N | A | -0.5556 | |
| 52 | N | A | -0.9237 | |
| 53 | H | A | -0.1109 | |
| 54 | L | A | 0.5499 | |
| 55 | Y | A | -0.0277 | |
| 56 | K | A | -1.1323 | |
| 57 | Q | A | -0.8627 | |
| 58 | I | A | 0.1142 | |
| 59 | S | A | -0.0354 | |
| 60 | S | A | 0.0000 | |
| 61 | A | A | -0.2890 | |
| 62 | S | A | -0.3790 | |
| 63 | T | A | -0.5737 | |
| 64 | G | A | -0.9148 | |
| 65 | A | A | -1.2258 | |
| 66 | S | A | -1.7424 | |
| 67 | N | A | -2.7127 | |
| 68 | D | A | -2.7443 | |
| 69 | N | A | -2.3796 | |
| 70 | H | A | -1.8904 | |
| 71 | Y | A | -0.1943 | |
| 72 | F | A | 0.3614 | |
| 73 | G | A | 0.0000 | |
| 74 | Y | A | 0.0000 | |
| 75 | S | A | -0.2298 | |
| 76 | T | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | W | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | Y | A | 0.0000 | |
| 81 | F | A | 0.0000 | |
| 82 | D | A | 0.0000 | |
| 83 | F | A | 0.0000 | |
| 84 | N | A | 0.0000 | |
| 85 | R | A | -0.5522 | |
| 86 | F | A | 0.0000 | |
| 87 | H | A | 0.0000 | |
| 88 | C | A | 0.0000 | |
| 89 | H | A | 0.0000 | |
| 90 | F | A | 0.0000 | |
| 91 | S | A | -1.0794 | |
| 92 | P | A | -1.4235 | |
| 93 | R | A | -2.5041 | |
| 94 | D | A | -1.8093 | |
| 95 | W | A | 0.0000 | |
| 96 | Q | A | -2.1246 | |
| 97 | R | A | -2.3323 | |
| 98 | L | A | 0.0000 | |
| 99 | I | A | 0.0000 | |
| 100 | N | A | 0.0000 | |
| 101 | N | A | -1.6193 | |
| 102 | N | A | 0.0000 | |
| 103 | W | A | 0.0000 | |
| 104 | G | A | 0.0000 | |
| 105 | F | A | 0.0000 | |
| 106 | R | A | -1.0647 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -2.1990 | |
| 109 | R | A | -2.1385 | |
| 110 | L | A | 0.0000 | |
| 111 | N | A | -0.9232 | |
| 112 | F | A | 0.0000 | |
| 113 | K | A | -0.8943 | |
| 114 | L | A | 0.0000 | |
| 115 | F | A | 0.0000 | |
| 116 | N | A | -1.0101 | |
| 117 | I | A | 0.0000 | |
| 118 | Q | A | -1.0004 | |
| 119 | V | A | 0.0000 | |
| 120 | K | A | -0.6349 | |
| 121 | E | A | -0.1866 | |
| 122 | V | A | 0.3798 | |
| 123 | T | A | 0.2006 | |
| 124 | T | A | -0.5246 | |
| 125 | N | A | -1.7798 | |
| 126 | D | A | -2.1085 | |
| 127 | G | A | -0.9277 | |
| 128 | V | A | 0.4992 | |
| 129 | T | A | 0.3852 | |
| 130 | T | A | 0.6526 | |
| 131 | I | A | 0.8449 | |
| 132 | A | A | -0.1131 | |
| 133 | N | A | -1.1609 | |
| 134 | N | A | -0.6719 | |
| 135 | L | A | 0.2112 | |
| 136 | T | A | -0.0574 | |
| 137 | S | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -0.4556 | |
| 141 | V | A | 0.0000 | |
| 142 | F | A | 0.0000 | |
| 143 | S | A | -0.4462 | |
| 144 | D | A | 0.0000 | |
| 145 | S | A | -1.3161 | |
| 146 | E | A | -2.2641 | |
| 147 | Y | A | -1.3530 | |
| 148 | Q | A | -1.4257 | |
| 149 | L | A | 0.0000 | |
| 150 | P | A | 0.3972 | |
| 151 | Y | A | 0.0777 | |
| 152 | V | A | 0.3328 | |
| 153 | L | A | 0.0000 | |
| 154 | G | A | -0.3479 | |
| 155 | S | A | -0.5324 | |
| 156 | A | A | -0.7365 | |
| 157 | H | A | -1.3512 | |
| 158 | Q | A | -1.6114 | |
| 159 | G | A | -0.6859 | |
| 160 | C | A | -0.4657 | |
| 161 | L | A | 0.0000 | |
| 162 | P | A | 0.0000 | |
| 163 | P | A | -0.0851 | |
| 164 | F | A | 0.5985 | |
| 165 | P | A | 0.0277 | |
| 166 | A | A | -0.1626 | |
| 167 | D | A | -0.5777 | |
| 168 | V | A | 1.2168 | |
| 169 | F | A | 0.0000 | |
| 170 | M | A | 1.2558 | |
| 171 | I | A | 0.0000 | |
| 172 | P | A | -0.3069 | |
| 173 | Q | A | -0.3605 | |
| 174 | Y | A | 0.0000 | |
| 175 | G | A | -0.0593 | |
| 176 | Y | A | 0.0000 | |
| 177 | L | A | 1.9003 | |
| 178 | T | A | 1.1348 | |
| 179 | L | A | 0.0945 | |
| 180 | N | A | -0.7527 | |
| 181 | N | A | -1.8378 | |
| 182 | G | A | -1.7683 | |
| 183 | S | A | -1.2209 | |
| 184 | Q | A | -1.4352 | |
| 185 | A | A | -0.8290 | |
| 186 | V | A | -0.5470 | |
| 187 | G | A | -0.9486 | |
| 188 | R | A | -1.5856 | |
| 189 | S | A | -0.2363 | |
| 190 | S | A | 0.6553 | |
| 191 | F | A | 1.7073 | |
| 192 | Y | A | 1.2194 | |
| 193 | C | A | 0.9702 | |
| 194 | L | A | 0.0000 | |
| 195 | E | A | -0.1252 | |
| 196 | Y | A | 1.0726 | |
| 197 | F | A | 0.2935 | |
| 198 | P | A | -0.1978 | |
| 199 | S | A | -0.4732 | |
| 200 | Q | A | -1.0425 | |
| 201 | M | A | -0.0739 | |
| 202 | L | A | 0.0000 | |
| 203 | R | A | -1.5992 | |
| 204 | T | A | -1.1440 | |
| 205 | G | A | 0.0000 | |
| 206 | N | A | -1.4092 | |
| 207 | N | A | -1.3253 | |
| 208 | F | A | 0.0000 | |
| 209 | T | A | -0.4104 | |
| 210 | F | A | -0.0718 | |
| 211 | S | A | -0.5446 | |
| 212 | Y | A | -0.5738 | |
| 213 | T | A | -1.3382 | |
| 214 | F | A | 0.0000 | |
| 215 | E | A | -2.0768 | |
| 216 | D | A | -2.1421 | |
| 217 | V | A | 0.0000 | |
| 218 | P | A | -0.4183 | |
| 219 | F | A | 0.0054 | |
| 220 | H | A | -0.0840 | |
| 221 | S | A | -0.0944 | |
| 222 | S | A | 0.0000 | |
| 223 | Y | A | -0.3019 | |
| 224 | A | A | -0.4906 | |
| 225 | H | A | -0.7468 | |
| 226 | S | A | -0.8573 | |
| 227 | Q | A | -0.9482 | |
| 228 | S | A | -0.8971 | |
| 229 | L | A | 0.0000 | |
| 230 | D | A | -1.3420 | |
| 231 | R | A | -1.3736 | |
| 232 | L | A | -0.4809 | |
| 233 | M | A | -0.4379 | |
| 234 | N | A | -0.5515 | |
| 235 | P | A | 0.1776 | |
| 236 | L | A | 1.6420 | |
| 237 | I | A | 1.5896 | |
| 238 | D | A | -0.7101 | |
| 239 | Q | A | -0.0969 | |
| 240 | Y | A | 1.2203 | |
| 241 | L | A | 1.0861 | |
| 242 | Y | A | 1.9965 | |
| 243 | Y | A | 1.4969 | |
| 244 | L | A | 1.6360 | |
| 245 | N | A | 0.2619 | |
| 246 | R | A | -1.4518 | |
| 247 | T | A | -1.4307 | |
| 248 | Q | A | -2.8124 | |
| 249 | N | A | -2.6279 | |
| 250 | Q | A | -2.4690 | |
| 251 | S | A | -1.5511 | |
| 252 | G | A | -1.3882 | |
| 253 | S | A | -1.0433 | |
| 254 | A | A | -1.6132 | |
| 255 | Q | A | -2.9084 | |
| 256 | N | A | -3.4004 | |
| 257 | K | A | -3.1289 | |
| 258 | D | A | -1.8690 | |
| 259 | L | A | 0.8812 | |
| 260 | L | A | 0.9900 | |
| 261 | F | A | 2.2334 | |
| 262 | S | A | 0.7165 | |
| 263 | R | A | -0.3278 | |
| 264 | G | A | 0.0000 | |
| 265 | S | A | -0.2437 | |
| 266 | P | A | -0.0347 | |
| 267 | A | A | 0.0027 | |
| 268 | G | A | -0.1802 | |
| 269 | M | A | -0.1100 | |
| 270 | S | A | -0.1410 | |
| 271 | V | A | 0.6609 | |
| 272 | Q | A | 0.0000 | |
| 273 | P | A | -0.3518 | |
| 274 | K | A | -1.3849 | |
| 275 | N | A | -1.3241 | |
| 276 | W | A | 0.1717 | |
| 277 | L | A | 0.5303 | |
| 278 | P | A | 0.4285 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.5964 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | 0.5289 | |
| 283 | R | A | -0.8528 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.4072 | |
| 286 | R | A | -1.8045 | |
| 287 | V | A | -1.5293 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -1.8018 | |
| 290 | T | A | -1.8276 | |
| 291 | K | A | -2.8001 | |
| 292 | T | A | -2.2529 | |
| 293 | D | A | -2.8748 | |
| 294 | N | A | -2.8322 | |
| 295 | N | A | -2.8139 | |
| 296 | N | A | -2.6926 | |
| 297 | S | A | -1.7884 | |
| 298 | N | A | -1.6155 | |
| 299 | F | A | -0.6752 | |
| 300 | T | A | 0.0094 | |
| 301 | W | A | 0.4382 | |
| 302 | T | A | -0.0052 | |
| 303 | G | A | -0.4162 | |
| 304 | A | A | 0.0930 | |
| 305 | S | A | -0.0215 | |
| 306 | K | A | 0.1036 | |
| 307 | Y | A | 0.4455 | |
| 308 | N | A | -1.1737 | |
| 309 | L | A | -0.5314 | |
| 310 | N | A | -1.7604 | |
| 311 | G | A | -1.6924 | |
| 312 | R | A | -2.2594 | |
| 313 | E | A | -1.5477 | |
| 314 | S | A | -0.3932 | |
| 315 | I | A | 0.3868 | |
| 316 | I | A | 0.2455 | |
| 317 | N | A | -0.7757 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | T | A | 0.0936 | |
| 321 | A | A | 0.1982 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -3.1807 | |
| 327 | D | A | -3.8685 | |
| 328 | D | A | -3.8328 | |
| 329 | K | A | -3.5905 | |
| 330 | D | A | -3.8393 | |
| 331 | K | A | -2.5352 | |
| 332 | F | A | -1.9171 | |
| 333 | F | A | -1.0632 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | -0.4704 | |
| 336 | S | A | -0.3051 | |
| 337 | G | A | 0.0000 | |
| 338 | V | A | 0.0000 | |
| 339 | M | A | 0.0000 | |
| 340 | I | A | 1.3307 | |
| 341 | F | A | 0.2755 | |
| 342 | G | A | -1.1594 | |
| 343 | K | A | -2.2733 | |
| 344 | E | A | -2.4198 | |
| 345 | S | A | -1.7982 | |
| 346 | A | A | -1.6895 | |
| 347 | G | A | -1.2680 | |
| 348 | A | A | -0.6151 | |
| 349 | S | A | -0.9404 | |
| 350 | N | A | -1.3942 | |
| 351 | T | A | -1.0874 | |
| 352 | A | A | -0.7148 | |
| 353 | L | A | -0.8272 | |
| 354 | D | A | -1.7727 | |
| 355 | N | A | -1.6931 | |
| 356 | V | A | -0.6308 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4619 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.4154 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.6486 | |
| 363 | E | A | -1.9577 | |
| 364 | I | A | 0.0000 | |
| 365 | K | A | -1.8220 | |
| 366 | A | A | 0.0000 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.6480 | |
| 370 | V | A | -0.9042 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.5546 | |
| 373 | E | A | -2.4049 | |
| 374 | R | A | -2.2745 | |
| 375 | F | A | -0.6766 | |
| 376 | G | A | -0.7574 | |
| 377 | T | A | -0.3394 | |
| 378 | V | A | 1.0198 | |
| 379 | A | A | 1.0309 | |
| 380 | V | A | 1.6356 | |
| 381 | N | A | 0.3906 | |
| 382 | L | A | 0.6125 | |
| 383 | Q | A | -1.2892 | |
| 384 | S | A | -1.1505 | |
| 385 | S | A | -1.2139 | |
| 386 | S | A | -1.0384 | |
| 387 | T | A | -1.4124 | |
| 388 | D | A | -2.3063 | |
| 389 | P | A | -1.1916 | |
| 390 | A | A | -0.0855 | |
| 391 | T | A | 0.2838 | |
| 392 | G | A | -0.3091 | |
| 393 | D | A | -1.7355 | |
| 394 | V | A | -0.7337 | |
| 395 | H | A | -0.7308 | |
| 396 | V | A | 1.1840 | |
| 397 | M | A | 0.7589 | |
| 398 | G | A | 0.3291 | |
| 399 | A | A | 0.4851 | |
| 400 | L | A | 0.7876 | |
| 401 | P | A | 0.3014 | |
| 402 | G | A | 0.1568 | |
| 403 | M | A | 0.6603 | |
| 404 | V | A | 0.9405 | |
| 405 | W | A | 0.2903 | |
| 406 | Q | A | -0.4034 | |
| 407 | D | A | -0.4648 | |
| 408 | R | A | 0.0000 | |
| 409 | D | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | Y | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | Q | A | 0.0000 | |
| 414 | G | A | 0.0000 | |
| 415 | P | A | -0.3639 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4591 | |
| 419 | K | A | -1.2333 | |
| 420 | I | A | -1.3054 | |
| 421 | P | A | -1.4405 | |
| 422 | H | A | -1.9622 | |
| 423 | T | A | -1.7143 | |
| 424 | D | A | -2.4094 | |
| 425 | G | A | -1.4309 | |
| 426 | H | A | -0.6872 | |
| 427 | F | A | 1.1194 | |
| 428 | H | A | -0.1096 | |
| 429 | P | A | -0.2400 | |
| 430 | S | A | -0.0320 | |
| 431 | P | A | 0.2727 | |
| 432 | L | A | 0.9490 | |
| 433 | M | A | 0.3607 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0307 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7740 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.5516 | |
| 440 | H | A | -2.2076 | |
| 441 | P | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | Q | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | L | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.1793 | |
| 451 | P | A | 0.0380 | |
| 452 | V | A | 0.3487 | |
| 453 | P | A | 0.0717 | |
| 454 | A | A | -0.2999 | |
| 455 | N | A | -1.3253 | |
| 456 | P | A | -0.9188 | |
| 457 | P | A | -0.8472 | |
| 458 | A | A | -0.7472 | |
| 459 | E | A | -1.0144 | |
| 460 | F | A | 0.9060 | |
| 461 | S | A | 0.0830 | |
| 462 | A | A | 0.0508 | |
| 463 | T | A | -0.5079 | |
| 464 | K | A | -1.4549 | |
| 465 | F | A | -0.2814 | |
| 466 | A | A | -0.2008 | |
| 467 | S | A | -0.2867 | |
| 468 | F | A | 0.3039 | |
| 469 | I | A | 0.6428 | |
| 470 | T | A | 0.2738 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.2870 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0181 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3502 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.5851 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.1863 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.5596 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.7979 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.8138 | |
| 487 | K | A | -2.2180 | |
| 488 | E | A | -2.2308 | |
| 489 | N | A | -2.5161 | |
| 490 | S | A | -2.0856 | |
| 491 | K | A | -2.3598 | |
| 492 | R | A | -1.6495 | |
| 493 | W | A | -0.0856 | |
| 494 | N | A | -0.5673 | |
| 495 | P | A | -0.3203 | |
| 496 | E | A | 0.1252 | |
| 497 | V | A | 1.2688 | |
| 498 | Q | A | 0.0761 | |
| 499 | Y | A | -0.2616 | |
| 500 | T | A | -0.2681 | |
| 501 | S | A | -0.5060 | |
| 502 | N | A | -0.9218 | |
| 503 | Y | A | 0.2352 | |
| 504 | A | A | -0.6201 | |
| 505 | K | A | -1.6144 | |
| 506 | S | A | -1.1010 | |
| 507 | A | A | -0.7884 | |
| 508 | N | A | -0.9993 | |
| 509 | V | A | 0.4596 | |
| 510 | D | A | -0.3757 | |
| 511 | F | A | -0.0448 | |
| 512 | T | A | 0.4845 | |
| 513 | V | A | 0.4176 | |
| 514 | D | A | -1.1644 | |
| 515 | N | A | -2.1321 | |
| 516 | N | A | -1.8905 | |
| 517 | G | A | -1.1222 | |
| 518 | L | A | -0.2448 | |
| 519 | Y | A | -0.0127 | |
| 520 | T | A | -0.2629 | |
| 521 | E | A | -0.7889 | |
| 522 | P | A | -0.8013 | |
| 523 | R | A | -0.8024 | |
| 524 | P | A | -0.2251 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2490 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.3818 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.3624 | |
| 532 | R | A | -1.2742 | |
| 533 | P | A | -0.5882 | |
| 534 | L | A | 0.4445 |
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 | -0.173 | 4.3411 | View | CSV | PDB |
| 4.5 | -0.2223 | 4.2077 | View | CSV | PDB |
| 5.0 | -0.2787 | 4.0172 | View | CSV | PDB |
| 5.5 | -0.3343 | 3.8549 | View | CSV | PDB |
| 6.0 | -0.3812 | 3.8087 | View | CSV | PDB |
| 6.5 | -0.4133 | 3.788 | View | CSV | PDB |
| 7.0 | -0.4312 | 3.7673 | View | CSV | PDB |
| 7.5 | -0.4403 | 3.747 | View | CSV | PDB |
| 8.0 | -0.4436 | 3.7278 | View | CSV | PDB |
| 8.5 | -0.4398 | 3.7114 | View | CSV | PDB |
| 9.0 | -0.4258 | 3.6997 | 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