| Chain sequence(s) | GVGNASGDWHCDSTWSEGHVTTTSTRTWVLPTYNNHLYKRLGESLQSNTYNGFSTPWGYFDFNRFHCHFSPRDWQRLINNNWGMRPKAMRVKIFNIQVKEVTTSNGETTVANNLTSTVQIFADSSYELPYVMDAGQEGSLPPFPNDVFMVPQYGYCGLVTGNTSQQQTDRNAFYCLEYFPSQMLRTGNNFEITYSFEKVPFHSMYAHSQSLDRLMNPLIDQYLWGLQSTTTGTTLNAGTATTNFTKLRPTNFSNFKKNWLPGPSIKQQGFSKTANQNYKIPATGSDSLIKYETHSTLDGRWSALTPGPPMATAGPADSKFSNSQLIFAGPKQNGNTATVPGTLIFTSEEELAATNATDTDMWGNLPGGDQSNSNLPTVDRLTALGAVPGMVWQNRDIYYQGPIWAKIPHTDGHFHPSPLIGGFGLKHPPPQIFIKNTPVPANPATTFSSTPVNSFITQYSTGQVSVQIDWEIQKERSKRWNPEVQFTSNYGQQNSLLWAPDAAGKYTEPRAIGTRYLTHHL 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] (00:00:01)
[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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/561b0769ec0872/tmp/folded.pdb (00:03:06)
[INFO] Main: Simulation completed successfully. (00:12:04)
|
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 | |
| 18 | G | A | -0.5380 | |
| 19 | V | A | 0.5972 | |
| 20 | G | A | -0.4030 | |
| 21 | N | A | -1.2645 | |
| 22 | A | A | -1.1069 | |
| 23 | S | A | -1.1787 | |
| 24 | G | A | -1.3594 | |
| 25 | D | A | -1.5655 | |
| 26 | W | A | -0.3603 | |
| 27 | H | A | -0.8996 | |
| 28 | C | A | -0.5880 | |
| 29 | D | A | -1.1302 | |
| 30 | S | A | -0.7080 | |
| 31 | T | A | -0.4443 | |
| 32 | W | A | -0.7304 | |
| 33 | S | A | -1.1938 | |
| 34 | E | A | -2.2550 | |
| 35 | G | A | -1.5567 | |
| 36 | H | A | -1.4411 | |
| 37 | V | A | 0.0000 | |
| 38 | T | A | -0.6975 | |
| 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 | 0.2961 | |
| 45 | W | A | 0.0000 | |
| 46 | V | A | 1.0144 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.1042 | |
| 49 | T | A | -0.2349 | |
| 50 | Y | A | -0.1992 | |
| 51 | N | A | -0.6432 | |
| 52 | N | A | -1.1371 | |
| 53 | H | A | -0.3052 | |
| 54 | L | A | 0.3787 | |
| 55 | Y | A | -0.0726 | |
| 56 | K | A | -1.2904 | |
| 57 | R | A | -1.0514 | |
| 58 | L | A | -0.5825 | |
| 59 | G | A | -0.9994 | |
| 60 | E | A | -1.5398 | |
| 61 | S | A | -1.0471 | |
| 62 | L | A | -0.2527 | |
| 63 | Q | A | -1.3797 | |
| 64 | S | A | -1.0437 | |
| 65 | N | A | -1.4457 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | -0.3270 | |
| 68 | N | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | F | A | 0.0118 | |
| 71 | S | A | -0.3367 | |
| 72 | T | A | 0.0000 | |
| 73 | P | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | G | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | F | A | 0.0000 | |
| 78 | D | A | 0.0000 | |
| 79 | F | A | 0.0000 | |
| 80 | N | A | 0.0000 | |
| 81 | R | A | -0.6583 | |
| 82 | F | A | 0.0000 | |
| 83 | H | A | 0.0000 | |
| 84 | C | A | 0.0000 | |
| 85 | H | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | S | A | -0.9927 | |
| 88 | P | A | -1.2852 | |
| 89 | R | A | -2.4159 | |
| 90 | D | A | 0.0000 | |
| 91 | W | A | 0.0000 | |
| 92 | Q | A | -2.0882 | |
| 93 | R | A | -2.2538 | |
| 94 | L | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | N | A | -1.7202 | |
| 98 | N | A | 0.0000 | |
| 99 | W | A | -0.6990 | |
| 100 | G | A | 0.0000 | |
| 101 | M | A | 0.0000 | |
| 102 | R | A | -0.9054 | |
| 103 | P | A | 0.0000 | |
| 104 | K | A | -1.5498 | |
| 105 | A | A | -1.0169 | |
| 106 | M | A | 0.0000 | |
| 107 | R | A | -1.5442 | |
| 108 | V | A | 0.0000 | |
| 109 | K | A | -1.3250 | |
| 110 | I | A | 0.0000 | |
| 111 | F | A | 0.0000 | |
| 112 | N | A | -1.2550 | |
| 113 | I | A | 0.0000 | |
| 114 | Q | A | -1.0224 | |
| 115 | V | A | 0.0000 | |
| 116 | K | A | -0.4201 | |
| 117 | E | A | 0.0407 | |
| 118 | V | A | 0.6061 | |
| 119 | T | A | -0.0016 | |
| 120 | T | A | -0.9612 | |
| 121 | S | A | -1.6474 | |
| 122 | N | A | -2.1952 | |
| 123 | G | A | -2.0749 | |
| 124 | E | A | -2.5941 | |
| 125 | T | A | -0.9417 | |
| 126 | T | A | 0.1805 | |
| 127 | V | A | 1.2814 | |
| 128 | A | A | 0.1476 | |
| 129 | N | A | -1.0300 | |
| 130 | N | A | -0.5821 | |
| 131 | L | A | 0.2068 | |
| 132 | T | A | -0.0419 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | 0.0000 | |
| 135 | V | A | 0.0000 | |
| 136 | Q | A | -0.4681 | |
| 137 | I | A | 0.0000 | |
| 138 | F | A | 0.0000 | |
| 139 | A | A | -0.3005 | |
| 140 | D | A | 0.0000 | |
| 141 | S | A | -0.6287 | |
| 142 | S | A | -0.9035 | |
| 143 | Y | A | -1.0841 | |
| 144 | E | A | -1.7045 | |
| 145 | L | A | 0.0000 | |
| 146 | P | A | -0.0853 | |
| 147 | Y | A | -0.0316 | |
| 148 | V | A | 0.1407 | |
| 149 | M | A | 0.0000 | |
| 150 | D | A | -0.5580 | |
| 151 | A | A | -0.7431 | |
| 152 | G | A | -1.4275 | |
| 153 | Q | A | -2.3252 | |
| 154 | E | A | -2.5564 | |
| 155 | G | A | -1.1997 | |
| 156 | S | A | -0.8592 | |
| 157 | L | A | 0.0000 | |
| 158 | P | A | -0.3571 | |
| 159 | P | A | -0.4463 | |
| 160 | F | A | -0.5262 | |
| 161 | P | A | -0.7165 | |
| 162 | N | A | -1.5404 | |
| 163 | D | A | -1.4429 | |
| 164 | V | A | 1.0177 | |
| 165 | F | A | 0.9723 | |
| 166 | M | A | 1.3460 | |
| 167 | V | A | 0.0000 | |
| 168 | P | A | -0.4277 | |
| 169 | Q | A | -0.3983 | |
| 170 | Y | A | 0.0000 | |
| 171 | G | A | -0.1710 | |
| 172 | Y | A | 0.0000 | |
| 173 | C | A | 1.0685 | |
| 174 | G | A | 0.5674 | |
| 175 | L | A | -0.0229 | |
| 176 | V | A | 0.0000 | |
| 177 | T | A | -0.9244 | |
| 178 | G | A | -1.2293 | |
| 179 | N | A | -1.2598 | |
| 180 | T | A | -1.0065 | |
| 181 | S | A | -1.0429 | |
| 182 | Q | A | -1.4100 | |
| 183 | Q | A | -1.7655 | |
| 184 | Q | A | -1.8738 | |
| 185 | T | A | -2.0439 | |
| 186 | D | A | -2.7969 | |
| 187 | R | A | -2.6021 | |
| 188 | N | A | -1.2972 | |
| 189 | A | A | 0.2727 | |
| 190 | F | A | 1.7799 | |
| 191 | Y | A | 1.2734 | |
| 192 | C | A | 0.9468 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.2957 | |
| 195 | Y | A | 0.9856 | |
| 196 | F | A | 0.1609 | |
| 197 | P | A | -0.2158 | |
| 198 | S | A | -0.4868 | |
| 199 | Q | A | -1.1255 | |
| 200 | M | A | -0.1750 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.7197 | |
| 203 | T | A | -1.2664 | |
| 204 | G | A | -1.2204 | |
| 205 | N | A | -1.7808 | |
| 206 | N | A | -1.9357 | |
| 207 | F | A | 0.0000 | |
| 208 | E | A | -1.8159 | |
| 209 | I | A | -0.8151 | |
| 210 | T | A | -0.7299 | |
| 211 | Y | A | -0.4001 | |
| 212 | S | A | -1.0199 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -1.9991 | |
| 215 | K | A | -2.1696 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5575 | |
| 218 | F | A | -0.1551 | |
| 219 | H | A | -0.1255 | |
| 220 | S | A | -0.1150 | |
| 221 | M | A | 0.0000 | |
| 222 | Y | A | -0.0428 | |
| 223 | A | A | -0.5234 | |
| 224 | H | A | -0.7648 | |
| 225 | S | A | -1.0338 | |
| 226 | Q | A | -1.3956 | |
| 227 | S | A | -1.1094 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.8308 | |
| 230 | R | A | -1.6841 | |
| 231 | L | A | -0.7188 | |
| 232 | M | A | -0.3963 | |
| 233 | N | A | -0.1053 | |
| 234 | P | A | 0.2170 | |
| 235 | L | A | 1.5745 | |
| 236 | I | A | 1.5068 | |
| 237 | D | A | 0.1272 | |
| 238 | Q | A | 0.0855 | |
| 239 | Y | A | 1.3834 | |
| 240 | L | A | 0.7524 | |
| 241 | W | A | 1.1637 | |
| 242 | G | A | 0.4931 | |
| 243 | L | A | 0.7661 | |
| 244 | Q | A | -0.6297 | |
| 245 | S | A | -0.5024 | |
| 246 | T | A | -0.3559 | |
| 247 | T | A | -0.7042 | |
| 248 | T | A | -0.6427 | |
| 249 | G | A | -0.6097 | |
| 250 | T | A | -0.2089 | |
| 251 | T | A | 0.1109 | |
| 252 | L | A | 0.9185 | |
| 253 | N | A | -0.6176 | |
| 254 | A | A | -0.4647 | |
| 255 | G | A | -0.6933 | |
| 256 | T | A | -0.5371 | |
| 257 | A | A | -0.6074 | |
| 258 | T | A | -0.2920 | |
| 259 | T | A | -0.2396 | |
| 260 | N | A | -0.4099 | |
| 261 | F | A | 1.3790 | |
| 262 | T | A | 0.3614 | |
| 263 | K | A | -0.0522 | |
| 264 | L | A | 0.0000 | |
| 265 | R | A | -1.2924 | |
| 266 | P | A | -0.5506 | |
| 267 | T | A | -0.7564 | |
| 268 | N | A | -1.2489 | |
| 269 | F | A | -1.4902 | |
| 270 | S | A | -1.4685 | |
| 271 | N | A | -2.0400 | |
| 272 | F | A | 0.0000 | |
| 273 | K | A | -2.5690 | |
| 274 | K | A | -2.5002 | |
| 275 | N | A | -1.7639 | |
| 276 | W | A | -0.2810 | |
| 277 | L | A | 0.4726 | |
| 278 | P | A | 0.5060 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | 0.4416 | |
| 281 | S | A | 0.0000 | |
| 282 | I | A | 0.5559 | |
| 283 | K | A | -0.4497 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -0.8791 | |
| 286 | G | A | -0.8909 | |
| 287 | F | A | -0.3403 | |
| 288 | S | A | -1.0588 | |
| 289 | K | A | -0.8923 | |
| 290 | T | A | -0.8921 | |
| 291 | A | A | -0.9315 | |
| 292 | N | A | -1.9935 | |
| 293 | Q | A | -2.0137 | |
| 294 | N | A | -1.0849 | |
| 295 | Y | A | -0.0501 | |
| 296 | K | A | -1.2785 | |
| 297 | I | A | -0.3313 | |
| 298 | P | A | -0.3792 | |
| 299 | A | A | -0.1738 | |
| 300 | T | A | -0.4367 | |
| 301 | G | A | -0.9365 | |
| 302 | S | A | -0.9943 | |
| 303 | D | A | -1.2056 | |
| 304 | S | A | -0.4867 | |
| 305 | L | A | 0.1263 | |
| 306 | I | A | 0.2767 | |
| 307 | K | A | -0.5277 | |
| 308 | Y | A | 0.0218 | |
| 309 | E | A | -0.3277 | |
| 310 | T | A | -0.2002 | |
| 311 | H | A | -0.1555 | |
| 312 | S | A | -0.1847 | |
| 313 | T | A | -0.1513 | |
| 314 | L | A | -0.1717 | |
| 315 | D | A | -1.6337 | |
| 316 | G | A | -1.2226 | |
| 317 | R | A | -0.9889 | |
| 318 | W | A | -0.3277 | |
| 319 | S | A | -0.0969 | |
| 320 | A | A | 0.0135 | |
| 321 | L | A | 0.1765 | |
| 322 | T | A | 0.0708 | |
| 323 | P | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | P | A | 0.3062 | |
| 326 | P | A | 0.1658 | |
| 327 | M | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | A | A | -1.1363 | |
| 331 | G | A | -1.2281 | |
| 332 | P | A | -0.7610 | |
| 333 | A | A | -0.8432 | |
| 334 | D | A | -1.6401 | |
| 335 | S | A | -1.3960 | |
| 336 | K | A | -1.4607 | |
| 337 | F | A | -0.4753 | |
| 338 | S | A | 0.0000 | |
| 339 | N | A | -0.2316 | |
| 340 | S | A | 0.0000 | |
| 341 | Q | A | 0.0000 | |
| 342 | L | A | 0.0000 | |
| 343 | I | A | 1.4287 | |
| 344 | F | A | 0.8976 | |
| 345 | A | A | -0.3179 | |
| 346 | G | A | -0.7128 | |
| 347 | P | A | -1.4550 | |
| 348 | K | A | -2.2251 | |
| 349 | Q | A | -1.7019 | |
| 350 | N | A | -2.3420 | |
| 351 | G | A | -1.7544 | |
| 352 | N | A | -1.8325 | |
| 353 | T | A | -0.8645 | |
| 354 | A | A | -0.0932 | |
| 355 | T | A | 0.7200 | |
| 356 | V | A | 1.5488 | |
| 357 | P | A | 0.6897 | |
| 358 | G | A | -0.0796 | |
| 359 | T | A | -0.3430 | |
| 360 | L | A | 0.5298 | |
| 361 | I | A | 0.5020 | |
| 362 | F | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | E | A | 0.0000 | |
| 366 | E | A | -2.0176 | |
| 367 | E | A | -1.2269 | |
| 368 | L | A | 0.0000 | |
| 369 | A | A | -0.6291 | |
| 370 | A | A | -0.7832 | |
| 371 | T | A | 0.0000 | |
| 372 | N | A | 0.0000 | |
| 373 | A | A | -0.1605 | |
| 374 | T | A | -0.7360 | |
| 375 | D | A | 0.0000 | |
| 376 | T | A | -1.0868 | |
| 377 | D | A | -1.8881 | |
| 378 | M | A | -0.9908 | |
| 379 | W | A | -0.3814 | |
| 380 | G | A | -0.9622 | |
| 381 | N | A | -1.5120 | |
| 382 | L | A | -0.6272 | |
| 383 | P | A | -1.0704 | |
| 384 | G | A | -1.3643 | |
| 385 | G | A | -1.6097 | |
| 386 | D | A | -2.7564 | |
| 387 | Q | A | -2.6808 | |
| 388 | S | A | -2.1032 | |
| 389 | N | A | -1.9773 | |
| 390 | S | A | -1.3812 | |
| 391 | N | A | -1.9098 | |
| 392 | L | A | -0.0055 | |
| 393 | P | A | -0.6974 | |
| 394 | T | A | -0.2245 | |
| 395 | V | A | 0.2972 | |
| 396 | D | A | -1.9046 | |
| 397 | R | A | -2.5059 | |
| 398 | L | A | -0.9919 | |
| 399 | T | A | -0.7516 | |
| 400 | A | A | 0.0671 | |
| 401 | L | A | 0.4560 | |
| 402 | G | A | 0.0144 | |
| 403 | A | A | 0.5061 | |
| 404 | V | A | 0.6448 | |
| 405 | P | A | 0.2346 | |
| 406 | G | A | -0.0589 | |
| 407 | M | A | 0.5978 | |
| 408 | V | A | 0.9248 | |
| 409 | W | A | 0.4411 | |
| 410 | Q | A | -0.1731 | |
| 411 | N | A | -0.3512 | |
| 412 | R | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | I | A | 0.0000 | |
| 415 | Y | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | Q | A | 0.0000 | |
| 418 | G | A | 0.0000 | |
| 419 | P | A | -0.4454 | |
| 420 | I | A | 0.0000 | |
| 421 | W | A | 0.0000 | |
| 422 | A | A | -0.4792 | |
| 423 | K | A | -1.1823 | |
| 424 | I | A | 0.0000 | |
| 425 | P | A | -1.4739 | |
| 426 | H | A | -1.9559 | |
| 427 | T | A | -1.7775 | |
| 428 | D | A | -2.4289 | |
| 429 | G | A | -1.4682 | |
| 430 | H | A | -0.7255 | |
| 431 | F | A | 1.1590 | |
| 432 | H | A | 0.0203 | |
| 433 | P | A | -0.2648 | |
| 434 | S | A | -0.0178 | |
| 435 | P | A | 0.2388 | |
| 436 | L | A | 1.0032 | |
| 437 | I | A | 0.8425 | |
| 438 | G | A | 0.0000 | |
| 439 | G | A | 0.0288 | |
| 440 | F | A | 0.0000 | |
| 441 | G | A | -0.7630 | |
| 442 | L | A | 0.0000 | |
| 443 | K | A | -2.2288 | |
| 444 | H | A | -1.8654 | |
| 445 | P | A | 0.0000 | |
| 446 | P | A | 0.0000 | |
| 447 | P | A | 0.0000 | |
| 448 | Q | A | 0.0000 | |
| 449 | I | A | 0.0000 | |
| 450 | F | A | 0.0000 | |
| 451 | I | A | 0.0000 | |
| 452 | K | A | 0.0000 | |
| 453 | N | A | 0.0000 | |
| 454 | T | A | 0.1595 | |
| 455 | P | A | 0.0247 | |
| 456 | V | A | 0.3807 | |
| 457 | P | A | 0.0093 | |
| 458 | A | A | -0.3414 | |
| 459 | N | A | -1.2755 | |
| 460 | P | A | -0.5550 | |
| 461 | A | A | 0.1115 | |
| 462 | T | A | 0.1186 | |
| 463 | T | A | 0.7667 | |
| 464 | F | A | 1.7109 | |
| 465 | S | A | 0.7158 | |
| 466 | S | A | 0.2223 | |
| 467 | T | A | 0.0794 | |
| 468 | P | A | -0.0057 | |
| 469 | V | A | 0.6200 | |
| 470 | N | A | -0.7249 | |
| 471 | S | A | -0.5373 | |
| 472 | F | A | 0.1018 | |
| 473 | I | A | 0.6080 | |
| 474 | T | A | 0.1632 | |
| 475 | Q | A | 0.0000 | |
| 476 | Y | A | 0.3746 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.1589 | |
| 479 | G | A | 0.0000 | |
| 480 | Q | A | -0.3195 | |
| 481 | V | A | 0.0000 | |
| 482 | S | A | -0.7488 | |
| 483 | V | A | 0.0000 | |
| 484 | Q | A | -1.0505 | |
| 485 | I | A | 0.0000 | |
| 486 | D | A | -1.1991 | |
| 487 | W | A | 0.0000 | |
| 488 | E | A | -1.1406 | |
| 489 | I | A | 0.0000 | |
| 490 | Q | A | -1.7038 | |
| 491 | K | A | -2.0562 | |
| 492 | E | A | -2.0676 | |
| 493 | R | A | -2.8574 | |
| 494 | S | A | -2.2311 | |
| 495 | K | A | -2.3737 | |
| 496 | R | A | -1.7839 | |
| 497 | W | A | -0.1133 | |
| 498 | N | A | -0.5917 | |
| 499 | P | A | -0.3410 | |
| 500 | E | A | 0.0702 | |
| 501 | V | A | 1.1768 | |
| 502 | Q | A | -0.1038 | |
| 503 | F | A | 0.0000 | |
| 504 | T | A | -0.7362 | |
| 505 | S | A | -0.9118 | |
| 506 | N | A | -1.4957 | |
| 507 | Y | A | -0.7479 | |
| 508 | G | A | -1.3504 | |
| 509 | Q | A | -1.9820 | |
| 510 | Q | A | -1.6567 | |
| 511 | N | A | -1.6985 | |
| 512 | S | A | -0.5385 | |
| 513 | L | A | 0.8113 | |
| 514 | L | A | 0.6271 | |
| 515 | W | A | 0.2729 | |
| 516 | A | A | 0.1075 | |
| 517 | P | A | -0.8257 | |
| 518 | D | A | -1.2749 | |
| 519 | A | A | -0.7838 | |
| 520 | A | A | -0.9182 | |
| 521 | G | A | -1.5121 | |
| 522 | K | A | -2.2712 | |
| 523 | Y | A | -1.2751 | |
| 524 | T | A | -0.8562 | |
| 525 | E | A | -0.2738 | |
| 526 | P | A | -0.4596 | |
| 527 | R | A | -0.5152 | |
| 528 | A | A | 0.0000 | |
| 529 | I | A | 0.0000 | |
| 530 | G | A | -0.0555 | |
| 531 | T | A | 0.0000 | |
| 532 | R | A | 0.0000 | |
| 533 | Y | A | 0.4075 | |
| 534 | L | A | 0.0000 | |
| 535 | T | A | -0.3321 | |
| 536 | H | A | -1.3222 | |
| 537 | H | A | -1.1802 | |
| 538 | L | A | -0.2365 |
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 | -0.085 | 4.3143 | View | CSV | PDB |
| 4.5 | -0.1204 | 4.3147 | View | CSV | PDB |
| 5.0 | -0.1619 | 4.3157 | View | CSV | PDB |
| 5.5 | -0.2021 | 4.3187 | View | CSV | PDB |
| 6.0 | -0.2332 | 4.3271 | View | CSV | PDB |
| 6.5 | -0.2501 | 4.3458 | View | CSV | PDB |
| 7.0 | -0.2539 | 4.3771 | View | CSV | PDB |
| 7.5 | -0.2502 | 4.4171 | View | CSV | PDB |
| 8.0 | -0.2424 | 4.4611 | View | CSV | PDB |
| 8.5 | -0.2303 | 4.5065 | View | CSV | PDB |
| 9.0 | -0.2124 | 4.5523 | 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