| 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 (00:03:45)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2ba2d05db0154a/tmp/folded.pdb (00:03:45)
[INFO] Main: Simulation completed successfully. (00:12:34)
|
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 | -0.9179 | |
| 17 | D | A | -1.5746 | |
| 18 | G | A | -0.7853 | |
| 19 | V | A | 0.6014 | |
| 20 | G | A | -0.5531 | |
| 21 | N | A | -1.5500 | |
| 22 | S | A | -1.4094 | |
| 23 | S | A | -1.3152 | |
| 24 | G | A | -1.3534 | |
| 25 | N | A | -1.2338 | |
| 26 | W | A | -0.3532 | |
| 27 | H | A | -1.1901 | |
| 28 | C | A | -0.8383 | |
| 29 | D | A | -1.5892 | |
| 30 | S | A | -1.1026 | |
| 31 | Q | A | -1.0036 | |
| 32 | W | A | -0.4323 | |
| 33 | L | A | 0.0535 | |
| 34 | G | A | -0.9642 | |
| 35 | D | A | -1.8460 | |
| 36 | R | A | -1.2924 | |
| 37 | V | A | 0.0000 | |
| 38 | I | A | -0.6841 | |
| 39 | T | A | 0.0000 | |
| 40 | T | A | -0.9593 | |
| 41 | S | A | 0.0000 | |
| 42 | T | A | 0.0000 | |
| 43 | R | A | 0.0000 | |
| 44 | T | A | 0.3869 | |
| 45 | W | A | 0.0000 | |
| 46 | A | A | 0.6880 | |
| 47 | L | A | 0.0000 | |
| 48 | P | A | 0.0391 | |
| 49 | T | A | -0.3062 | |
| 50 | Y | A | -0.3318 | |
| 51 | N | A | -0.9529 | |
| 52 | N | A | -1.1908 | |
| 53 | H | A | -0.4974 | |
| 54 | L | A | -0.2463 | |
| 55 | Y | A | -0.5133 | |
| 56 | K | A | -1.6311 | |
| 57 | Q | A | -1.1046 | |
| 58 | I | A | -0.3058 | |
| 59 | S | A | -0.4632 | |
| 60 | S | A | 0.0000 | |
| 61 | Q | A | -1.5467 | |
| 62 | S | A | -1.1058 | |
| 63 | G | A | -1.2676 | |
| 64 | A | A | -1.6380 | |
| 65 | S | A | -2.0537 | |
| 66 | N | A | -2.9493 | |
| 67 | D | A | -3.1269 | |
| 68 | N | A | -2.7242 | |
| 69 | H | A | -2.2536 | |
| 70 | Y | A | -0.4632 | |
| 71 | F | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | Y | A | 0.0000 | |
| 74 | S | A | -0.4740 | |
| 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 | -0.6275 | |
| 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 | -1.0569 | |
| 91 | P | A | -1.4273 | |
| 92 | R | A | -2.4991 | |
| 93 | D | A | -1.9985 | |
| 94 | W | A | 0.0000 | |
| 95 | Q | A | -2.1516 | |
| 96 | R | A | -2.5601 | |
| 97 | L | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | N | A | -1.2709 | |
| 100 | N | A | -2.0454 | |
| 101 | N | A | 0.0000 | |
| 102 | W | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | F | A | 0.0000 | |
| 105 | R | A | -0.8147 | |
| 106 | P | A | 0.0000 | |
| 107 | K | A | -1.8571 | |
| 108 | K | A | -2.0175 | |
| 109 | L | A | 0.0000 | |
| 110 | S | A | -0.9613 | |
| 111 | F | A | 0.0000 | |
| 112 | K | A | -1.2246 | |
| 113 | L | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | N | A | -1.1734 | |
| 116 | I | A | 0.0000 | |
| 117 | Q | A | -1.2275 | |
| 118 | V | A | 0.0000 | |
| 119 | K | A | -0.5059 | |
| 120 | E | A | -0.1601 | |
| 121 | V | A | 0.0231 | |
| 122 | T | A | -0.6427 | |
| 123 | Q | A | -2.2072 | |
| 124 | N | A | -2.9011 | |
| 125 | D | A | -2.9285 | |
| 126 | G | A | -2.0947 | |
| 127 | T | A | -1.6910 | |
| 128 | T | A | -0.9290 | |
| 129 | T | A | -0.0219 | |
| 130 | I | A | 0.8003 | |
| 131 | A | A | -0.0433 | |
| 132 | N | A | -1.1224 | |
| 133 | N | A | -0.6799 | |
| 134 | L | A | 0.1490 | |
| 135 | T | A | -0.1704 | |
| 136 | S | A | 0.0000 | |
| 137 | T | A | 0.0000 | |
| 138 | V | A | 0.0000 | |
| 139 | Q | A | -0.5128 | |
| 140 | V | A | 0.0000 | |
| 141 | F | A | 0.0000 | |
| 142 | T | A | -0.4123 | |
| 143 | D | A | 0.0000 | |
| 144 | S | A | -1.3327 | |
| 145 | E | A | -2.3010 | |
| 146 | Y | A | -1.5594 | |
| 147 | Q | A | -1.4906 | |
| 148 | L | A | 0.0000 | |
| 149 | P | A | 0.4030 | |
| 150 | Y | A | 0.0615 | |
| 151 | V | A | 0.3404 | |
| 152 | L | A | 0.0000 | |
| 153 | G | A | -0.3888 | |
| 154 | S | A | -0.5010 | |
| 155 | A | A | -0.6806 | |
| 156 | H | A | -1.3035 | |
| 157 | Q | A | -1.5636 | |
| 158 | G | A | -0.6565 | |
| 159 | C | A | -0.4441 | |
| 160 | L | A | 0.0000 | |
| 161 | P | A | -0.0964 | |
| 162 | P | A | -0.2125 | |
| 163 | F | A | 0.3988 | |
| 164 | P | A | -0.0315 | |
| 165 | A | A | -0.2258 | |
| 166 | D | A | -0.6379 | |
| 167 | V | A | 1.1921 | |
| 168 | F | A | 0.0000 | |
| 169 | M | A | 1.3333 | |
| 170 | V | A | 0.0000 | |
| 171 | P | A | -0.2447 | |
| 172 | Q | A | -0.3360 | |
| 173 | Y | A | 0.0000 | |
| 174 | G | A | -0.0938 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 1.8730 | |
| 177 | T | A | 1.0977 | |
| 178 | L | A | 0.0671 | |
| 179 | N | A | -0.8044 | |
| 180 | N | A | -1.8834 | |
| 181 | G | A | -1.9365 | |
| 182 | S | A | -1.5282 | |
| 183 | Q | A | -1.4732 | |
| 184 | A | A | -1.1634 | |
| 185 | V | A | -0.9761 | |
| 186 | G | A | -1.1413 | |
| 187 | R | A | -1.6947 | |
| 188 | S | A | -0.3516 | |
| 189 | S | A | 0.6797 | |
| 190 | F | A | 1.8104 | |
| 191 | Y | A | 1.3240 | |
| 192 | C | A | 0.9346 | |
| 193 | L | A | 0.0000 | |
| 194 | E | A | -0.2488 | |
| 195 | Y | A | 1.0298 | |
| 196 | F | A | 0.2991 | |
| 197 | P | A | -0.2044 | |
| 198 | S | A | -0.5033 | |
| 199 | Q | A | -1.0949 | |
| 200 | M | A | -0.1319 | |
| 201 | L | A | 0.0000 | |
| 202 | R | A | -1.6407 | |
| 203 | T | A | -1.2169 | |
| 204 | G | A | 0.0000 | |
| 205 | N | A | -1.5599 | |
| 206 | N | A | -1.8792 | |
| 207 | F | A | 0.0000 | |
| 208 | Q | A | -1.3012 | |
| 209 | F | A | -0.3891 | |
| 210 | S | A | -0.6658 | |
| 211 | Y | A | -0.5007 | |
| 212 | T | A | -1.2521 | |
| 213 | F | A | 0.0000 | |
| 214 | E | A | -2.0202 | |
| 215 | D | A | -2.0966 | |
| 216 | V | A | 0.0000 | |
| 217 | P | A | -0.4004 | |
| 218 | F | A | 0.1341 | |
| 219 | H | A | 0.0000 | |
| 220 | S | A | -0.0334 | |
| 221 | S | A | 0.0000 | |
| 222 | Y | A | -0.2869 | |
| 223 | A | A | -0.6190 | |
| 224 | H | A | -0.9840 | |
| 225 | S | A | -1.0663 | |
| 226 | Q | A | -1.4969 | |
| 227 | S | A | -1.4827 | |
| 228 | L | A | 0.0000 | |
| 229 | D | A | -2.1905 | |
| 230 | R | A | -2.3523 | |
| 231 | L | A | -0.8137 | |
| 232 | M | A | -0.3721 | |
| 233 | N | A | -0.1336 | |
| 234 | P | A | 0.0993 | |
| 235 | L | A | 1.7587 | |
| 236 | I | A | 1.7222 | |
| 237 | D | A | -0.5744 | |
| 238 | Q | A | 0.2788 | |
| 239 | Y | A | 1.5198 | |
| 240 | L | A | 1.7254 | |
| 241 | Y | A | 2.6162 | |
| 242 | Y | A | 1.8196 | |
| 243 | L | A | 1.9083 | |
| 244 | N | A | 0.5315 | |
| 245 | R | A | -1.2163 | |
| 246 | T | A | -1.2535 | |
| 247 | Q | A | -2.6340 | |
| 248 | G | A | -1.9323 | |
| 249 | T | A | -1.4095 | |
| 250 | T | A | -1.0273 | |
| 251 | S | A | -0.6526 | |
| 252 | G | A | -0.8462 | |
| 253 | T | A | -0.7815 | |
| 254 | T | A | -1.3156 | |
| 255 | N | A | -2.6014 | |
| 256 | Q | A | -2.6148 | |
| 257 | S | A | -2.2312 | |
| 258 | R | A | -2.1022 | |
| 259 | L | A | 0.5310 | |
| 260 | L | A | 1.1338 | |
| 261 | F | A | 2.5219 | |
| 262 | S | A | 1.4193 | |
| 263 | Q | A | 0.6039 | |
| 264 | A | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | P | A | -0.4814 | |
| 267 | Q | A | -1.3869 | |
| 268 | S | A | -0.6101 | |
| 269 | M | A | -0.6469 | |
| 270 | S | A | -0.3154 | |
| 271 | L | A | 1.0140 | |
| 272 | Q | A | 0.0000 | |
| 273 | A | A | 0.1926 | |
| 274 | R | A | -0.9265 | |
| 275 | N | A | -1.1002 | |
| 276 | W | A | 0.3716 | |
| 277 | L | A | 0.7859 | |
| 278 | P | A | 0.4796 | |
| 279 | G | A | 0.0000 | |
| 280 | P | A | -0.0590 | |
| 281 | C | A | 0.0000 | |
| 282 | Y | A | -0.8954 | |
| 283 | R | A | -1.6655 | |
| 284 | Q | A | 0.0000 | |
| 285 | Q | A | -1.4938 | |
| 286 | R | A | -1.7364 | |
| 287 | L | A | -1.4279 | |
| 288 | S | A | 0.0000 | |
| 289 | K | A | -2.0145 | |
| 290 | T | A | -1.4861 | |
| 291 | A | A | -1.6368 | |
| 292 | N | A | -2.6557 | |
| 293 | D | A | -2.9577 | |
| 294 | N | A | -2.7922 | |
| 295 | N | A | -2.8342 | |
| 296 | N | A | -2.6849 | |
| 297 | S | A | -1.8181 | |
| 298 | N | A | -1.5632 | |
| 299 | F | A | -0.5345 | |
| 300 | P | A | 0.0437 | |
| 301 | W | A | 0.6670 | |
| 302 | T | A | 0.1932 | |
| 303 | A | A | -0.1858 | |
| 304 | A | A | -0.2097 | |
| 305 | S | A | -0.3806 | |
| 306 | K | A | -0.4135 | |
| 307 | Y | A | 0.1234 | |
| 308 | H | A | -0.9588 | |
| 309 | L | A | -0.0901 | |
| 310 | N | A | -1.5068 | |
| 311 | G | A | -1.6749 | |
| 312 | R | A | -2.3230 | |
| 313 | D | A | -1.7034 | |
| 314 | S | A | -0.7730 | |
| 315 | L | A | -0.1874 | |
| 316 | V | A | 0.0000 | |
| 317 | N | A | -1.0646 | |
| 318 | P | A | 0.0000 | |
| 319 | G | A | 0.0000 | |
| 320 | P | A | 0.0683 | |
| 321 | A | A | 0.1860 | |
| 322 | M | A | 0.0000 | |
| 323 | A | A | 0.0000 | |
| 324 | S | A | 0.0000 | |
| 325 | H | A | 0.0000 | |
| 326 | K | A | -2.9155 | |
| 327 | D | A | -3.7435 | |
| 328 | D | A | -3.7378 | |
| 329 | E | A | -3.3686 | |
| 330 | E | A | -3.8209 | |
| 331 | K | A | -2.7852 | |
| 332 | F | A | -2.1367 | |
| 333 | F | A | 0.0000 | |
| 334 | P | A | 0.0000 | |
| 335 | M | A | 0.0000 | |
| 336 | H | A | -0.6695 | |
| 337 | G | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | I | A | 1.3422 | |
| 341 | F | A | 0.1768 | |
| 342 | G | A | -1.3873 | |
| 343 | K | A | -2.4224 | |
| 344 | E | A | -2.5033 | |
| 345 | G | A | -1.6215 | |
| 346 | T | A | -1.8853 | |
| 347 | T | A | -1.1579 | |
| 348 | A | A | -0.4624 | |
| 349 | S | A | -1.0348 | |
| 350 | N | A | -1.7075 | |
| 351 | A | A | -1.8377 | |
| 352 | E | A | -2.4084 | |
| 353 | L | A | -1.2059 | |
| 354 | D | A | -2.3135 | |
| 355 | N | A | -2.1916 | |
| 356 | V | A | -0.9298 | |
| 357 | M | A | 0.0000 | |
| 358 | I | A | 0.3840 | |
| 359 | T | A | 0.0000 | |
| 360 | D | A | -0.9456 | |
| 361 | E | A | 0.0000 | |
| 362 | E | A | -2.0026 | |
| 363 | E | A | -1.0129 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -1.5393 | |
| 366 | T | A | -1.1142 | |
| 367 | T | A | 0.0000 | |
| 368 | N | A | 0.0000 | |
| 369 | P | A | -0.4677 | |
| 370 | V | A | -0.6685 | |
| 371 | A | A | 0.0000 | |
| 372 | T | A | 0.0000 | |
| 373 | E | A | -1.5734 | |
| 374 | Q | A | -1.6516 | |
| 375 | Y | A | -0.8891 | |
| 376 | G | A | -0.7222 | |
| 377 | T | A | -0.3979 | |
| 378 | V | A | 0.2087 | |
| 379 | A | A | -0.5204 | |
| 380 | N | A | -1.5741 | |
| 381 | N | A | -0.8767 | |
| 382 | L | A | 0.3375 | |
| 383 | Q | A | -1.1970 | |
| 384 | S | A | -1.0428 | |
| 385 | S | A | -1.1923 | |
| 386 | N | A | -1.6748 | |
| 387 | T | A | -1.0192 | |
| 388 | A | A | -0.6917 | |
| 389 | P | A | -0.8871 | |
| 390 | T | A | -0.8414 | |
| 391 | T | A | -1.0578 | |
| 392 | R | A | -1.6431 | |
| 393 | T | A | -1.2027 | |
| 394 | V | A | 0.0000 | |
| 395 | N | A | -2.1645 | |
| 396 | D | A | -2.2976 | |
| 397 | Q | A | -1.2094 | |
| 398 | G | A | -0.4775 | |
| 399 | A | A | 0.4956 | |
| 400 | L | A | 0.7668 | |
| 401 | P | A | 0.3518 | |
| 402 | G | A | 0.2671 | |
| 403 | M | A | 0.0000 | |
| 404 | V | A | 1.0760 | |
| 405 | W | A | 0.3643 | |
| 406 | Q | A | -0.3058 | |
| 407 | D | A | -0.4689 | |
| 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 | -0.3396 | |
| 416 | I | A | 0.0000 | |
| 417 | W | A | 0.0000 | |
| 418 | A | A | -0.4282 | |
| 419 | K | A | -1.1383 | |
| 420 | I | A | 0.0000 | |
| 421 | P | A | -1.4973 | |
| 422 | H | A | -2.0919 | |
| 423 | T | A | -1.8211 | |
| 424 | D | A | -2.4747 | |
| 425 | G | A | -1.5874 | |
| 426 | H | A | -1.0022 | |
| 427 | F | A | 1.0149 | |
| 428 | H | A | -0.0809 | |
| 429 | P | A | -0.2513 | |
| 430 | S | A | 0.0573 | |
| 431 | P | A | 0.2512 | |
| 432 | L | A | 0.8664 | |
| 433 | M | A | 0.4390 | |
| 434 | G | A | 0.0000 | |
| 435 | G | A | -0.0020 | |
| 436 | F | A | 0.0000 | |
| 437 | G | A | -0.7289 | |
| 438 | L | A | 0.0000 | |
| 439 | K | A | -2.2501 | |
| 440 | H | A | -2.1659 | |
| 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 | 0.1448 | |
| 451 | P | A | 0.0803 | |
| 452 | V | A | 0.3980 | |
| 453 | P | A | 0.1202 | |
| 454 | A | A | -0.2722 | |
| 455 | N | A | -1.3335 | |
| 456 | P | A | -0.6099 | |
| 457 | P | A | -0.3304 | |
| 458 | T | A | -0.0055 | |
| 459 | T | A | 0.6736 | |
| 460 | F | A | 1.6646 | |
| 461 | S | A | 0.3980 | |
| 462 | P | A | -0.1670 | |
| 463 | A | A | -0.4549 | |
| 464 | K | A | -1.3068 | |
| 465 | F | A | 0.0800 | |
| 466 | A | A | -0.0581 | |
| 467 | S | A | -0.2242 | |
| 468 | F | A | 0.2984 | |
| 469 | I | A | 0.5640 | |
| 470 | T | A | 0.1255 | |
| 471 | Q | A | 0.0000 | |
| 472 | Y | A | 0.3063 | |
| 473 | S | A | 0.0000 | |
| 474 | T | A | 0.0470 | |
| 475 | G | A | 0.0000 | |
| 476 | Q | A | -0.3688 | |
| 477 | V | A | 0.0000 | |
| 478 | S | A | -0.7198 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -1.3840 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.2965 | |
| 483 | W | A | 0.0000 | |
| 484 | E | A | -1.1917 | |
| 485 | L | A | 0.0000 | |
| 486 | Q | A | -1.6992 | |
| 487 | K | A | -2.2613 | |
| 488 | E | A | -2.2890 | |
| 489 | N | A | -2.5711 | |
| 490 | S | A | -2.2027 | |
| 491 | K | A | -2.3336 | |
| 492 | R | A | -1.6698 | |
| 493 | W | A | 0.0865 | |
| 494 | N | A | -0.3953 | |
| 495 | P | A | -0.1267 | |
| 496 | E | A | 0.2597 | |
| 497 | I | A | 1.3380 | |
| 498 | Q | A | -0.5181 | |
| 499 | Y | A | 0.0000 | |
| 500 | T | A | -0.4135 | |
| 501 | S | A | -0.9511 | |
| 502 | N | A | -1.3364 | |
| 503 | Y | A | -0.3880 | |
| 504 | N | A | -1.9315 | |
| 505 | K | A | -1.8756 | |
| 506 | S | A | -0.5757 | |
| 507 | V | A | 0.9252 | |
| 508 | N | A | -0.0819 | |
| 509 | V | A | 0.6946 | |
| 510 | D | A | -0.4360 | |
| 511 | F | A | 0.0000 | |
| 512 | T | A | 0.4205 | |
| 513 | V | A | 0.5466 | |
| 514 | D | A | -0.3830 | |
| 515 | T | A | -0.9163 | |
| 516 | N | A | -1.2502 | |
| 517 | G | A | -0.6816 | |
| 518 | V | A | 0.0583 | |
| 519 | Y | A | -0.0142 | |
| 520 | S | A | -0.6027 | |
| 521 | E | A | -1.1449 | |
| 522 | P | A | -1.1736 | |
| 523 | R | A | -1.1836 | |
| 524 | P | A | -0.4761 | |
| 525 | I | A | 0.0000 | |
| 526 | G | A | -0.2310 | |
| 527 | T | A | 0.0000 | |
| 528 | R | A | 0.0000 | |
| 529 | Y | A | 0.2912 | |
| 530 | L | A | 0.0000 | |
| 531 | T | A | -0.6033 | |
| 532 | R | A | -1.9199 | |
| 533 | N | A | -1.5210 | |
| 534 | L | A | -0.2553 |
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 | -0.2215 | 4.8776 | View | CSV | PDB |
| 4.5 | -0.2665 | 4.8776 | View | CSV | PDB |
| 5.0 | -0.3182 | 4.8776 | View | CSV | PDB |
| 5.5 | -0.3685 | 4.8776 | View | CSV | PDB |
| 6.0 | -0.4101 | 4.8776 | View | CSV | PDB |
| 6.5 | -0.4385 | 4.8776 | View | CSV | PDB |
| 7.0 | -0.4554 | 4.8776 | View | CSV | PDB |
| 7.5 | -0.4659 | 4.8776 | View | CSV | PDB |
| 8.0 | -0.4722 | 4.8776 | View | CSV | PDB |
| 8.5 | -0.4729 | 4.8776 | View | CSV | PDB |
| 9.0 | -0.4654 | 4.8776 | 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