| Chain sequence(s) | ADGVGNSSGNWHCDSQWLGDRVITTSTRTWALPTYNNHLYKQISSQSGASNDNHYFGYSTPWGYFDFNRFHCHFSPRDWQRLINNNWGFRPKKLSFKLFNIQVKEVTQNDGTTTIANNLTSTVQVFTDSEYQLPYVLGSAHQGCLPPFPADVFMVPQYGYLTLNNGSQAVGRSSFYCLEYFPSQMLRTGNNFQFSYTFEDVPFHSSYAHSQSLDRLMNPLIDQYLYYLNRTQGTTSGTTNQSRLLFSQAGPQSMSLQARNWLPGPCYRQQRLSKTANDNNNSNFPWTAASKYHLNGRDSLVNPGPAMASHKDDEEKFFPMHGNLIFGKEGTTASNAELDNVMITDEEEIRTTNPVATEQYGTVANNLQSSNTAPTTRTVNDQGALPGMVWQDRDVYLQGPIWAKIPHTDGHFHPSPLMGGFGLKHPPPQIMIKNTPVPANPPTTFSPAKFASFITQYSTGQVSVEIEWELQKENSKRWNPEIQYTSNYNKSVNVDFTVDTNGVYSEPRPIGTRYLTRNL 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/9c33f8163bfff0/tmp/folded.pdb (00:05:47)
[INFO] Main: Simulation completed successfully. (00:17:13)
|
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 | |
| 16 | A | A | -1.2221 | |
| 17 | D | A | -2.0757 | |
| 18 | G | A | -1.0287 | |
| 19 | V | A | 0.4526 | |
| 20 | G | A | -0.6696 | |
| 21 | N | A | -1.7569 | |
| 22 | S | A | -1.5382 | |
| 23 | S | A | -1.4740 | |
| 24 | G | A | -1.2578 | |
| 25 | N | A | -1.2183 | |
| 26 | W | A | -0.3721 | |
| 27 | H | A | -1.3158 | |
| 28 | C | A | -1.1749 | |
| 29 | D | A | -2.1671 | |
| 30 | S | A | -1.4252 | |
| 31 | Q | A | -1.3312 | |
| 32 | W | A | -0.6138 | |
| 33 | L | A | -0.2385 | |
| 34 | G | A | -1.3580 | |
| 35 | D | A | -2.4313 | |
| 36 | R | A | -1.5411 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.7139 | |
| 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 | 0.4000 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6696 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0720 | |
| 49 | T | A | -0.2838 | |
| 50 | Y | A | -0.3077 | |
| 51 | N | A | -0.8256 | |
| 52 | N | A | -1.1386 | |
| 53 | H | A | -0.4237 | |
| 54 | L | A | -0.1328 | |
| 55 | Y | A | -0.3787 | |
| 56 | K | A | -1.3581 | |
| 57 | Q | A | -1.0042 | |
| 58 | I | A | -0.2607 | |
| 59 | S | A | -0.4347 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5336 | |
| 62 | S | A | -1.1101 | |
| 63 | G | A | -1.2928 | |
| 64 | A | A | -1.5367 | |
| 65 | S | A | -1.9063 | |
| 66 | N | A | -2.7139 | |
| 67 | D | A | -2.6449 | |
| 68 | N | A | -2.4653 | |
| 69 | H | A | -2.0589 | |
| 70 | Y | A | -0.3069 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | S | A | -0.3845 | |
| 75 | T | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | W | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | Y | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | D | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | N | A | 0.0000 | |
| 84 | R | A | -0.6596 | |
| 85 | F | A | 0.0000 | |
| 86 | H | A | 0.0000 | |
| 87 | C | A | 0.0000 | |
| 88 | H | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | S | A | -1.0177 | |
| 91 | P | A | -1.3545 | |
| 92 | R | A | -2.4004 | |
| 93 | D | A | 0.0000 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.0341 | |
| 96 | R | A | -2.3786 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.1421 | |
| 100 | N | A | -2.1125 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8869 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.8450 | |
| 108 | K | A | -1.9348 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.9456 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.3104 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.3462 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.2391 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.6143 | |
| 120 | E | A | -0.2790 | |
| 121 | V | A | -0.1018 | |
| 122 | T | A | -0.7143 | |
| 123 | Q | A | -2.2356 | |
| 124 | N | A | -2.9069 | |
| 125 | D | A | -2.9325 | |
| 126 | G | A | -2.0916 | |
| 127 | T | A | -1.6917 | |
| 128 | T | A | -0.9616 | |
| 129 | T | A | -0.1029 | |
| 130 | I | A | 0.6301 | |
| 131 | A | A | -0.1846 | |
| 132 | N | A | -1.2671 | |
| 133 | N | A | -0.8666 | |
| 134 | L | A | -0.1801 | |
| 135 | T | A | -0.2842 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | -0.4203 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.3692 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.5169 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3118 | |
| 145 | E | A | -2.2670 | |
| 146 | Y | A | -1.3786 | |
| 147 | Q | A | -1.4423 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.3827 | |
| 150 | Y | A | 0.0611 | |
| 151 | V | A | 0.2935 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.4047 | |
| 154 | S | A | -0.6034 | |
| 155 | A | A | -0.8548 | |
| 156 | H | A | -1.6091 | |
| 157 | Q | A | -1.8017 | |
| 158 | G | A | -0.7710 | |
| 159 | C | A | -0.5261 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0223 | |
| 162 | P | A | -0.0787 | |
| 163 | F | A | 0.6467 | |
| 164 | P | A | 0.0591 | |
| 165 | A | A | -0.1243 | |
| 166 | D | A | -0.4438 | |
| 167 | V | A | 1.2495 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.2396 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.3332 | |
| 172 | Q | A | -0.3706 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0907 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.8578 | |
| 177 | T | A | 1.0635 | |
| 178 | L | A | 0.0131 | |
| 179 | N | A | -0.8126 | |
| 180 | N | A | -1.8797 | |
| 181 | G | A | -1.9207 | |
| 182 | S | A | -1.5435 | |
| 183 | Q | A | -1.4723 | |
| 184 | A | A | -1.1573 | |
| 185 | V | A | -0.9323 | |
| 186 | G | A | -1.1193 | |
| 187 | R | A | -1.7052 | |
| 188 | S | A | -0.3948 | |
| 189 | S | A | 0.5770 | |
| 190 | F | A | 1.6470 | |
| 191 | Y | A | 1.1931 | |
| 192 | C | A | 0.9491 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.1124 | |
| 195 | Y | A | 1.0711 | |
| 196 | F | A | 0.3099 | |
| 197 | P | A | -0.1561 | |
| 198 | S | A | -0.3826 | |
| 199 | Q | A | -0.8930 | |
| 200 | M | A | -0.0029 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.4691 | |
| 203 | T | A | -1.3325 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.6607 | |
| 206 | N | A | -2.0005 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.5513 | |
| 209 | F | A | -0.5081 | |
| 210 | S | A | -0.6910 | |
| 211 | Y | A | -0.4861 | |
| 212 | T | A | -1.2349 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0582 | |
| 215 | D | A | -2.1290 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.5049 | |
| 218 | F | A | -0.0637 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | -0.1208 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.2562 | |
| 223 | A | A | -0.4201 | |
| 224 | H | A | -0.8005 | |
| 225 | S | A | -0.9205 | |
| 226 | Q | A | -0.9689 | |
| 227 | S | A | -0.8792 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -1.2456 | |
| 230 | R | A | -1.3429 | |
| 231 | L | A | -0.2713 | |
| 232 | M | A | -0.0481 | |
| 233 | N | A | 0.0094 | |
| 234 | P | A | 0.2240 | |
| 235 | L | A | 1.7906 | |
| 236 | I | A | 1.7533 | |
| 237 | D | A | -0.5809 | |
| 238 | Q | A | 0.2897 | |
| 239 | Y | A | 1.5078 | |
| 240 | L | A | 1.7112 | |
| 241 | Y | A | 2.5944 | |
| 242 | Y | A | 1.7911 | |
| 243 | L | A | 1.8911 | |
| 244 | N | A | 0.4049 | |
| 245 | R | A | -1.4785 | |
| 246 | T | A | -1.4520 | |
| 247 | Q | A | -2.9029 | |
| 248 | G | A | -2.1161 | |
| 249 | T | A | -1.5823 | |
| 250 | T | A | -1.2053 | |
| 251 | S | A | -0.6500 | |
| 252 | G | A | -0.8467 | |
| 253 | T | A | -0.8117 | |
| 254 | T | A | -1.2408 | |
| 255 | N | A | -2.6586 | |
| 256 | Q | A | -2.7003 | |
| 257 | S | A | -2.3422 | |
| 258 | R | A | -2.2231 | |
| 259 | L | A | 0.4490 | |
| 260 | L | A | 1.0879 | |
| 261 | F | A | 2.5109 | |
| 262 | S | A | 1.3651 | |
| 263 | Q | A | 0.5239 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.4185 | |
| 267 | Q | A | -1.4090 | |
| 268 | S | A | -0.6699 | |
| 269 | M | A | -0.5865 | |
| 270 | S | A | -0.2561 | |
| 271 | L | A | 0.7091 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | 0.1923 | |
| 274 | R | A | -0.7895 | |
| 275 | N | A | -1.0552 | |
| 276 | W | A | 0.4191 | |
| 277 | L | A | 0.7776 | |
| 278 | P | A | 0.5350 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | -0.2369 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -1.2024 | |
| 283 | R | A | -1.7756 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.2599 | |
| 286 | R | A | -1.5705 | |
| 287 | L | A | -1.3688 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -2.0771 | |
| 290 | T | A | -1.5144 | |
| 291 | A | A | -1.6492 | |
| 292 | N | A | -2.6611 | |
| 293 | D | A | -2.9564 | |
| 294 | N | A | -2.7779 | |
| 295 | N | A | -2.8390 | |
| 296 | N | A | -2.6943 | |
| 297 | S | A | -1.8391 | |
| 298 | N | A | -1.6641 | |
| 299 | F | A | -0.7237 | |
| 300 | P | A | -0.1343 | |
| 301 | W | A | 0.3547 | |
| 302 | T | A | 0.0215 | |
| 303 | A | A | -0.2221 | |
| 304 | A | A | -0.0143 | |
| 305 | S | A | -0.2130 | |
| 306 | K | A | -0.0288 | |
| 307 | Y | A | 0.4902 | |
| 308 | H | A | -0.7368 | |
| 309 | L | A | 0.0194 | |
| 310 | N | A | -1.4701 | |
| 311 | G | A | -1.6189 | |
| 312 | R | A | -2.1300 | |
| 313 | D | A | -1.4235 | |
| 314 | S | A | -0.4637 | |
| 315 | L | A | 0.1305 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -0.9513 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | 0.0040 | |
| 321 | A | A | 0.1614 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -2.7436 | |
| 327 | D | A | -3.6613 | |
| 328 | D | A | -3.7432 | |
| 329 | E | A | -3.4304 | |
| 330 | E | A | -3.9096 | |
| 331 | K | A | -2.8595 | |
| 332 | F | A | -2.1695 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | -0.5301 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.6058 | |
| 340 | I | A | 1.4195 | |
| 341 | F | A | 0.2707 | |
| 342 | G | A | -1.3603 | |
| 343 | K | A | -2.3930 | |
| 344 | E | A | -2.4777 | |
| 345 | G | A | -1.6089 | |
| 346 | T | A | -1.9041 | |
| 347 | T | A | -1.1666 | |
| 348 | A | A | -0.4654 | |
| 349 | S | A | -1.0375 | |
| 350 | N | A | -1.7118 | |
| 351 | A | A | -1.8595 | |
| 352 | E | A | -2.4224 | |
| 353 | L | A | -1.2306 | |
| 354 | D | A | -2.3454 | |
| 355 | N | A | -2.2485 | |
| 356 | V | A | -0.9240 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.4121 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -1.3071 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.3125 | |
| 363 | E | A | -1.4860 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -1.2428 | |
| 366 | T | A | -0.7661 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.3679 | |
| 370 | V | A | -0.5877 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | -1.2247 | |
| 373 | E | A | -1.5080 | |
| 374 | Q | A | -1.6002 | |
| 375 | Y | A | -0.8955 | |
| 376 | G | A | -0.7100 | |
| 377 | T | A | -0.4194 | |
| 378 | V | A | 0.1766 | |
| 379 | A | A | -0.5446 | |
| 380 | N | A | -1.5893 | |
| 381 | N | A | -0.8290 | |
| 382 | L | A | 0.3701 | |
| 383 | Q | A | -1.1784 | |
| 384 | S | A | -1.0362 | |
| 385 | S | A | -1.2202 | |
| 386 | N | A | -1.6716 | |
| 387 | T | A | -0.9961 | |
| 388 | A | A | -0.6733 | |
| 389 | P | A | -0.8993 | |
| 390 | T | A | -0.8593 | |
| 391 | T | A | -1.1155 | |
| 392 | R | A | -1.7750 | |
| 393 | T | A | -1.2387 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -2.2063 | |
| 396 | D | A | -2.4541 | |
| 397 | Q | A | -1.3856 | |
| 398 | G | A | -0.7410 | |
| 399 | A | A | 0.3619 | |
| 400 | L | A | 0.6668 | |
| 401 | P | A | 0.3200 | |
| 402 | G | A | 0.2180 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 0.9905 | |
| 405 | W | A | 0.3697 | |
| 406 | Q | A | -0.3001 | |
| 407 | D | A | -0.3704 | |
| 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 | -0.3801 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4992 | |
| 419 | K | A | -1.3176 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.5866 | |
| 422 | H | A | -2.0634 | |
| 423 | T | A | -1.8226 | |
| 424 | D | A | -2.4748 | |
| 425 | G | A | -1.5873 | |
| 426 | H | A | -1.0058 | |
| 427 | F | A | 1.0107 | |
| 428 | H | A | -0.0720 | |
| 429 | P | A | -0.2942 | |
| 430 | S | A | 0.0657 | |
| 431 | P | A | 0.2470 | |
| 432 | L | A | 0.8736 | |
| 433 | M | A | 0.3823 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0065 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.8080 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.6042 | |
| 440 | H | A | -2.2291 | |
| 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 | M | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | K | A | 0.0000 | |
| 449 | N | A | 0.0000 | |
| 450 | T | A | 0.2002 | |
| 451 | P | A | 0.1874 | |
| 452 | V | A | 0.5353 | |
| 453 | P | A | 0.2730 | |
| 454 | A | A | -0.1865 | |
| 455 | N | A | -1.3131 | |
| 456 | P | A | -0.5619 | |
| 457 | P | A | -0.3253 | |
| 458 | T | A | -0.0071 | |
| 459 | T | A | 0.6753 | |
| 460 | F | A | 1.6694 | |
| 461 | S | A | 0.4383 | |
| 462 | P | A | -0.1313 | |
| 463 | A | A | -0.3991 | |
| 464 | K | A | -1.2032 | |
| 465 | F | A | 0.3284 | |
| 466 | A | A | 0.0711 | |
| 467 | S | A | -0.1106 | |
| 468 | F | A | 0.4363 | |
| 469 | I | A | 0.5613 | |
| 470 | T | A | 0.1088 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3051 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0539 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3653 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.7243 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.2897 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.1722 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.4017 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -2.1113 | |
| 487 | K | A | -3.1335 | |
| 488 | E | A | -2.3984 | |
| 489 | N | A | -2.6366 | |
| 490 | S | A | -2.2336 | |
| 491 | K | A | -2.3880 | |
| 492 | R | A | -1.8703 | |
| 493 | W | A | -0.1475 | |
| 494 | N | A | -0.8217 | |
| 495 | P | A | -0.3322 | |
| 496 | E | A | 0.1804 | |
| 497 | I | A | 1.5347 | |
| 498 | Q | A | 0.0956 | |
| 499 | Y | A | -0.2241 | |
| 500 | T | A | -0.2235 | |
| 501 | S | A | -0.8563 | |
| 502 | N | A | -1.3209 | |
| 503 | Y | A | -0.3802 | |
| 504 | N | A | -1.9270 | |
| 505 | K | A | -1.8494 | |
| 506 | S | A | -0.5158 | |
| 507 | V | A | 1.0220 | |
| 508 | N | A | 0.1561 | |
| 509 | V | A | 0.8288 | |
| 510 | D | A | -0.3152 | |
| 511 | F | A | -0.1170 | |
| 512 | T | A | 0.6163 | |
| 513 | V | A | 0.7461 | |
| 514 | D | A | -0.2431 | |
| 515 | T | A | -0.8440 | |
| 516 | N | A | -1.1828 | |
| 517 | G | A | -0.5549 | |
| 518 | V | A | 0.3164 | |
| 519 | Y | A | 0.1924 | |
| 520 | S | A | -0.4150 | |
| 521 | E | A | -0.9472 | |
| 522 | P | A | -0.9603 | |
| 523 | R | A | -0.8652 | |
| 524 | P | A | -0.3554 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2291 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.4424 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.4779 | |
| 532 | R | A | -1.6162 | |
| 533 | N | A | -1.2192 | |
| 534 | L | A | 0.3036 |
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 | -0.2126 | 4.9171 | View | CSV | PDB |
| 4.5 | -0.2568 | 4.9171 | View | CSV | PDB |
| 5.0 | -0.3084 | 4.9171 | View | CSV | PDB |
| 5.5 | -0.3592 | 4.9171 | View | CSV | PDB |
| 6.0 | -0.401 | 4.9171 | View | CSV | PDB |
| 6.5 | -0.4288 | 4.9171 | View | CSV | PDB |
| 7.0 | -0.4441 | 4.9171 | View | CSV | PDB |
| 7.5 | -0.453 | 4.9171 | View | CSV | PDB |
| 8.0 | -0.4582 | 4.9171 | View | CSV | PDB |
| 8.5 | -0.4583 | 4.9171 | View | CSV | PDB |
| 9.0 | -0.4505 | 4.9171 | 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