| Chain sequence(s) |
A: MSSFSYEPYYSTSYKRRYVETPRVHISSVRSGYSTARSAYSSYSAPVSSSLSVRRSYSSSSGSLMPSLENLDLSQVAAISNDLKSIRTQEKAQLQDLNDRFASFIERVHELEQQNKVLEAELLVLRQKHSEPSRFRALYEQEIRDLRLAAEDATNEKQALQGEREGLEETLRNLQARYEEEVLSREDAEGRLMEARKGADEAALARAELEKRIDSLMDEISFLKKVHEEEIAELQAQIQYAQISVEMDVTKPDLSAALKDIRAQYEKLAAKNMQNAEEWFKSRFTVLTESAAKNTDAVRAAKDEVSESRRLLKAKTLEIEACRGMNEALEKQLQELEDKQNADISAMQDTINKLENELRTTKSEMARYLKEYQDLLNVKMALDIEIAAYRKLLEGEETRLSFTSVGSITSGYSQSSQVFGRSAYGGLQTSSYLMSTRSFPSYYTSHVQEEQIEVEETIEAAKAEEAKDEPPSEGEAEEEEKDKEEAEEEEAAEEEEAAKEESEEAKEEEEGGEGEEGEETKEAEEEEKKVEGAGEEQAAKKKD
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Mutated residues | PL440A,FI439A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 0.599821 kcal/mol |
| 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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:06:29)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:42)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8f20aa1371ceb6c/tmp/folded.pdb (00:06:42)
[INFO] Main: Simulation completed successfully. (00:13:28)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 1.1174 | |
| 2 | S | A | 0.6726 | |
| 3 | S | A | 1.0015 | |
| 4 | F | A | 1.9315 | |
| 5 | S | A | 0.7891 | |
| 6 | Y | A | 0.8986 | |
| 7 | E | A | -0.6756 | |
| 8 | P | A | 0.1164 | |
| 9 | Y | A | 1.4729 | |
| 10 | Y | A | 1.5376 | |
| 11 | S | A | 0.7647 | |
| 12 | T | A | 0.3336 | |
| 13 | S | A | -0.1279 | |
| 14 | Y | A | -0.2749 | |
| 15 | K | A | -2.4537 | |
| 16 | R | A | -2.9385 | |
| 17 | R | A | -1.9506 | |
| 18 | Y | A | 0.4252 | |
| 19 | V | A | 1.0810 | |
| 20 | E | A | -0.7395 | |
| 21 | T | A | -0.8675 | |
| 22 | P | A | -1.1575 | |
| 23 | R | A | -1.1570 | |
| 24 | V | A | 0.8176 | |
| 25 | H | A | 0.3353 | |
| 26 | I | A | 1.8074 | |
| 27 | S | A | 0.6565 | |
| 28 | S | A | 0.4334 | |
| 29 | V | A | 0.8828 | |
| 30 | R | A | -1.2656 | |
| 31 | S | A | -0.6590 | |
| 32 | G | A | -0.4209 | |
| 33 | Y | A | 0.9251 | |
| 34 | S | A | 0.1037 | |
| 35 | T | A | -0.3588 | |
| 36 | A | A | -0.8299 | |
| 37 | R | A | -1.8030 | |
| 38 | S | A | -0.7636 | |
| 39 | A | A | 0.0660 | |
| 40 | Y | A | 1.0831 | |
| 41 | S | A | 0.6036 | |
| 42 | S | A | 0.6103 | |
| 43 | Y | A | 1.1900 | |
| 44 | S | A | 0.5348 | |
| 45 | A | A | 0.5386 | |
| 46 | P | A | 0.6596 | |
| 47 | V | A | 1.4644 | |
| 48 | S | A | 0.6131 | |
| 49 | S | A | 0.2924 | |
| 50 | S | A | 0.7120 | |
| 51 | L | A | 1.5091 | |
| 52 | S | A | 0.6002 | |
| 53 | V | A | 0.6941 | |
| 54 | R | A | -1.6723 | |
| 55 | R | A | -2.1405 | |
| 56 | S | A | -0.8120 | |
| 57 | Y | A | 0.3489 | |
| 58 | S | A | -0.0309 | |
| 59 | S | A | -0.1930 | |
| 60 | S | A | -0.4632 | |
| 61 | S | A | -0.6746 | |
| 62 | G | A | -0.3204 | |
| 63 | S | A | 0.4155 | |
| 64 | L | A | 1.8048 | |
| 65 | M | A | 1.7497 | |
| 66 | P | A | 0.7546 | |
| 67 | S | A | -0.0036 | |
| 68 | L | A | 0.5346 | |
| 69 | E | A | -1.7464 | |
| 70 | N | A | -1.5988 | |
| 71 | L | A | -0.3987 | |
| 72 | D | A | -1.3442 | |
| 73 | L | A | 0.6721 | |
| 74 | S | A | 0.0099 | |
| 75 | Q | A | -0.3352 | |
| 76 | V | A | 0.2627 | |
| 77 | A | A | -0.1413 | |
| 78 | A | A | -0.4502 | |
| 79 | I | A | 0.0257 | |
| 80 | S | A | -0.8575 | |
| 81 | N | A | -2.1970 | |
| 82 | D | A | -1.9437 | |
| 83 | L | A | -1.0832 | |
| 84 | K | A | -2.7088 | |
| 85 | S | A | -1.9974 | |
| 86 | I | A | -1.0521 | |
| 87 | R | A | -3.2157 | |
| 88 | T | A | -2.6253 | |
| 89 | Q | A | -2.8760 | |
| 90 | E | A | -3.6984 | |
| 91 | K | A | -3.4791 | |
| 92 | A | A | -2.7115 | |
| 93 | Q | A | -3.1296 | |
| 94 | L | A | -2.3335 | |
| 95 | Q | A | -3.1553 | |
| 96 | D | A | -2.8262 | |
| 97 | L | A | -1.6119 | |
| 98 | N | A | -2.1193 | |
| 99 | D | A | -2.7109 | |
| 100 | R | A | -1.8232 | |
| 101 | F | A | 0.4343 | |
| 102 | A | A | -0.3813 | |
| 103 | S | A | -0.6688 | |
| 104 | F | A | 0.7778 | |
| 105 | I | A | 0.3976 | |
| 106 | E | A | -2.2397 | |
| 107 | R | A | -2.3488 | |
| 108 | V | A | -1.5935 | |
| 109 | H | A | -3.2821 | |
| 110 | E | A | -4.1637 | |
| 111 | L | A | -2.9315 | |
| 112 | E | A | -4.0302 | |
| 113 | Q | A | -3.9821 | |
| 114 | Q | A | -3.1706 | |
| 115 | N | A | -3.5951 | |
| 116 | K | A | -3.3610 | |
| 117 | V | A | -0.8185 | |
| 118 | L | A | -0.8267 | |
| 119 | E | A | -1.7484 | |
| 120 | A | A | -0.5507 | |
| 121 | E | A | -0.8735 | |
| 122 | L | A | -0.1182 | |
| 123 | L | A | 0.6918 | |
| 124 | V | A | 0.4965 | |
| 125 | L | A | -0.8398 | |
| 126 | R | A | -2.3414 | |
| 127 | Q | A | -2.4472 | |
| 128 | K | A | -2.8605 | |
| 129 | H | A | -3.1934 | |
| 130 | S | A | -2.8687 | |
| 131 | E | A | -3.2737 | |
| 132 | P | A | -1.7984 | |
| 133 | S | A | -1.5801 | |
| 134 | R | A | -1.9797 | |
| 135 | F | A | 0.0644 | |
| 136 | R | A | -1.7617 | |
| 137 | A | A | -1.1711 | |
| 138 | L | A | 0.0117 | |
| 139 | Y | A | -0.3652 | |
| 140 | E | A | -2.2879 | |
| 141 | Q | A | -2.4195 | |
| 142 | E | A | -2.1600 | |
| 143 | I | A | -1.4582 | |
| 144 | R | A | -2.8356 | |
| 145 | D | A | -2.0506 | |
| 146 | L | A | -0.9674 | |
| 147 | R | A | -2.5091 | |
| 148 | L | A | -1.6003 | |
| 149 | A | A | -1.3543 | |
| 150 | A | A | -2.0744 | |
| 151 | E | A | -3.5261 | |
| 152 | D | A | -3.8513 | |
| 153 | A | A | -3.1764 | |
| 154 | T | A | -3.2247 | |
| 155 | N | A | -4.2018 | |
| 156 | E | A | -4.3144 | |
| 157 | K | A | -4.2255 | |
| 158 | Q | A | -3.8242 | |
| 159 | A | A | -2.9832 | |
| 160 | L | A | -2.8118 | |
| 161 | Q | A | -3.5076 | |
| 162 | G | A | -3.3499 | |
| 163 | E | A | -3.8244 | |
| 164 | R | A | -4.1338 | |
| 165 | E | A | -3.9780 | |
| 166 | G | A | -2.7819 | |
| 167 | L | A | -1.6699 | |
| 168 | E | A | -3.1869 | |
| 169 | E | A | -3.0189 | |
| 170 | T | A | -1.2127 | |
| 171 | L | A | -0.7983 | |
| 172 | R | A | -2.4171 | |
| 173 | N | A | -1.7444 | |
| 174 | L | A | -1.1518 | |
| 175 | Q | A | -2.3230 | |
| 176 | A | A | -2.2986 | |
| 177 | R | A | -2.6701 | |
| 178 | Y | A | -1.2577 | |
| 179 | E | A | -2.4436 | |
| 180 | E | A | -2.9976 | |
| 181 | E | A | -2.5150 | |
| 182 | V | A | -0.5601 | |
| 183 | L | A | -0.9578 | |
| 184 | S | A | -2.1292 | |
| 185 | R | A | -3.5291 | |
| 186 | E | A | -3.6633 | |
| 187 | D | A | -3.5254 | |
| 188 | A | A | -2.9103 | |
| 189 | E | A | -3.6077 | |
| 190 | G | A | -3.3859 | |
| 191 | R | A | -3.5683 | |
| 192 | L | A | -1.6225 | |
| 193 | M | A | -1.9655 | |
| 194 | E | A | -3.3682 | |
| 195 | A | A | -2.6985 | |
| 196 | R | A | -3.5928 | |
| 197 | K | A | -3.9706 | |
| 198 | G | A | -2.7947 | |
| 199 | A | A | -2.5745 | |
| 200 | D | A | -3.6432 | |
| 201 | E | A | -3.0831 | |
| 202 | A | A | -2.0516 | |
| 203 | A | A | -1.3428 | |
| 204 | L | A | -0.5777 | |
| 205 | A | A | -1.4677 | |
| 206 | R | A | -2.7297 | |
| 207 | A | A | -2.1054 | |
| 208 | E | A | -2.8877 | |
| 209 | L | A | -1.7770 | |
| 210 | E | A | -3.3987 | |
| 211 | K | A | -3.9608 | |
| 212 | R | A | -3.3063 | |
| 213 | I | A | -1.5847 | |
| 214 | D | A | -3.0005 | |
| 215 | S | A | -2.1530 | |
| 216 | L | A | -0.8572 | |
| 217 | M | A | -0.3492 | |
| 218 | D | A | -1.7679 | |
| 219 | E | A | -1.2038 | |
| 220 | I | A | 0.2428 | |
| 221 | S | A | -0.2186 | |
| 222 | F | A | 0.4142 | |
| 223 | L | A | -0.5354 | |
| 224 | K | A | -2.8189 | |
| 225 | K | A | -2.8805 | |
| 226 | V | A | -1.7727 | |
| 227 | H | A | -3.1071 | |
| 228 | E | A | -3.8445 | |
| 229 | E | A | -3.9347 | |
| 230 | E | A | -3.1050 | |
| 231 | I | A | -0.7786 | |
| 232 | A | A | -1.4567 | |
| 233 | E | A | -2.3918 | |
| 234 | L | A | -0.1026 | |
| 235 | Q | A | -0.5311 | |
| 236 | A | A | -0.6833 | |
| 237 | Q | A | -0.3164 | |
| 238 | I | A | 0.6427 | |
| 239 | Q | A | -0.2315 | |
| 240 | Y | A | 1.3406 | |
| 241 | A | A | 0.7648 | |
| 242 | Q | A | 0.1875 | |
| 243 | I | A | 1.8383 | |
| 244 | S | A | 1.3243 | |
| 245 | V | A | 1.3154 | |
| 246 | E | A | -0.4867 | |
| 247 | M | A | 0.4734 | |
| 248 | D | A | -0.9268 | |
| 249 | V | A | 0.4198 | |
| 250 | T | A | -0.6188 | |
| 251 | K | A | -1.8089 | |
| 252 | P | A | -1.2134 | |
| 253 | D | A | -1.6966 | |
| 254 | L | A | -0.2747 | |
| 255 | S | A | -0.5398 | |
| 256 | A | A | -1.1835 | |
| 257 | A | A | -0.9293 | |
| 258 | L | A | -0.9070 | |
| 259 | K | A | -2.3808 | |
| 260 | D | A | -2.5748 | |
| 261 | I | A | -1.3504 | |
| 262 | R | A | -2.8076 | |
| 263 | A | A | -2.5121 | |
| 264 | Q | A | -2.0239 | |
| 265 | Y | A | -1.0988 | |
| 266 | E | A | -2.7998 | |
| 267 | K | A | -2.5207 | |
| 268 | L | A | -1.1046 | |
| 269 | A | A | -1.2598 | |
| 270 | A | A | -1.8109 | |
| 271 | K | A | -2.8278 | |
| 272 | N | A | -2.7642 | |
| 273 | M | A | -1.4596 | |
| 274 | Q | A | -2.7070 | |
| 275 | N | A | -3.0794 | |
| 276 | A | A | -1.8087 | |
| 277 | E | A | -2.6716 | |
| 278 | E | A | -2.7904 | |
| 279 | W | A | -0.5965 | |
| 280 | F | A | 0.1290 | |
| 281 | K | A | -1.1105 | |
| 282 | S | A | -0.0386 | |
| 283 | R | A | 0.4408 | |
| 284 | F | A | 1.8894 | |
| 285 | T | A | 1.1366 | |
| 286 | V | A | 1.9342 | |
| 287 | L | A | 1.7752 | |
| 288 | T | A | 0.3283 | |
| 289 | E | A | -1.2658 | |
| 290 | S | A | -0.8315 | |
| 291 | A | A | -1.1083 | |
| 292 | A | A | -1.6889 | |
| 293 | K | A | -3.1385 | |
| 294 | N | A | -2.6267 | |
| 295 | T | A | -1.9353 | |
| 296 | D | A | -2.7521 | |
| 297 | A | A | -1.7088 | |
| 298 | V | A | -0.9874 | |
| 299 | R | A | -2.9770 | |
| 300 | A | A | -2.2601 | |
| 301 | A | A | -2.0215 | |
| 302 | K | A | -3.3236 | |
| 303 | D | A | -4.0684 | |
| 304 | E | A | -3.9169 | |
| 305 | V | A | -2.5035 | |
| 306 | S | A | -3.1479 | |
| 307 | E | A | -4.0239 | |
| 308 | S | A | -2.6586 | |
| 309 | R | A | -3.4590 | |
| 310 | R | A | -3.5249 | |
| 311 | L | A | -1.3730 | |
| 312 | L | A | -1.0486 | |
| 313 | K | A | -2.2855 | |
| 314 | A | A | -1.5608 | |
| 315 | K | A | -1.8288 | |
| 316 | T | A | -0.8210 | |
| 317 | L | A | -0.4546 | |
| 318 | E | A | -1.7232 | |
| 319 | I | A | -0.4430 | |
| 320 | E | A | -1.8680 | |
| 321 | A | A | -1.2679 | |
| 322 | C | A | -0.9275 | |
| 323 | R | A | -2.5401 | |
| 324 | G | A | -2.0513 | |
| 325 | M | A | -0.9669 | |
| 326 | N | A | -2.9884 | |
| 327 | E | A | -3.4297 | |
| 328 | A | A | -2.1402 | |
| 329 | L | A | -1.9082 | |
| 330 | E | A | -3.3552 | |
| 331 | K | A | -3.8200 | |
| 332 | Q | A | -2.9792 | |
| 333 | L | A | -1.7905 | |
| 334 | Q | A | -3.6872 | |
| 335 | E | A | -4.2164 | |
| 336 | L | A | -2.6903 | |
| 337 | E | A | -4.3575 | |
| 338 | D | A | -4.6854 | |
| 339 | K | A | -4.2500 | |
| 340 | Q | A | -3.7638 | |
| 341 | N | A | -3.3573 | |
| 342 | A | A | -2.5049 | |
| 343 | D | A | -2.8711 | |
| 344 | I | A | -0.8922 | |
| 345 | S | A | -1.2321 | |
| 346 | A | A | -1.1459 | |
| 347 | M | A | -0.6832 | |
| 348 | Q | A | -1.6169 | |
| 349 | D | A | -2.7138 | |
| 350 | T | A | -1.4220 | |
| 351 | I | A | -1.4009 | |
| 352 | N | A | -3.0124 | |
| 353 | K | A | -3.2440 | |
| 354 | L | A | -1.6501 | |
| 355 | E | A | -3.1357 | |
| 356 | N | A | -3.2729 | |
| 357 | E | A | -3.2015 | |
| 358 | L | A | -2.4088 | |
| 359 | R | A | -3.4466 | |
| 360 | T | A | -2.3805 | |
| 361 | T | A | -2.2418 | |
| 362 | K | A | -2.6808 | |
| 363 | S | A | -1.7854 | |
| 364 | E | A | -1.4486 | |
| 365 | M | A | -0.5790 | |
| 366 | A | A | -0.5566 | |
| 367 | R | A | -1.1577 | |
| 368 | Y | A | -0.0415 | |
| 369 | L | A | 0.5906 | |
| 370 | K | A | -1.6362 | |
| 371 | E | A | -1.2451 | |
| 372 | Y | A | 0.5701 | |
| 373 | Q | A | -1.1230 | |
| 374 | D | A | -1.5720 | |
| 375 | L | A | 0.4255 | |
| 376 | L | A | 0.4756 | |
| 377 | N | A | -0.2862 | |
| 378 | V | A | 1.3319 | |
| 379 | K | A | -0.3832 | |
| 380 | M | A | 0.5028 | |
| 381 | A | A | 0.9738 | |
| 382 | L | A | 1.0243 | |
| 383 | D | A | -0.2276 | |
| 384 | I | A | 1.2067 | |
| 385 | E | A | -0.5347 | |
| 386 | I | A | 0.4957 | |
| 387 | A | A | -0.0741 | |
| 388 | A | A | -0.0760 | |
| 389 | Y | A | 0.3041 | |
| 390 | R | A | -1.7547 | |
| 391 | K | A | -2.3007 | |
| 392 | L | A | -0.1913 | |
| 393 | L | A | -1.6015 | |
| 394 | E | A | -3.2422 | |
| 395 | G | A | -2.3947 | |
| 396 | E | A | -2.9722 | |
| 397 | E | A | -2.9577 | |
| 398 | T | A | -1.9283 | |
| 399 | R | A | -2.0335 | |
| 400 | L | A | -0.2299 | |
| 401 | S | A | 0.2758 | |
| 402 | F | A | 1.5011 | |
| 403 | T | A | 0.9664 | |
| 404 | S | A | 0.8507 | |
| 405 | V | A | 2.1515 | |
| 406 | G | A | 0.7188 | |
| 407 | S | A | 0.9123 | |
| 408 | I | A | 1.9066 | |
| 409 | T | A | 0.7237 | |
| 410 | S | A | 0.2044 | |
| 411 | G | A | -0.1291 | |
| 412 | Y | A | 0.5793 | |
| 413 | S | A | -0.3808 | |
| 414 | Q | A | -1.3103 | |
| 415 | S | A | -0.9341 | |
| 416 | S | A | -0.6080 | |
| 417 | Q | A | -0.2246 | |
| 418 | V | A | 1.7760 | |
| 419 | F | A | 1.8223 | |
| 420 | G | A | -0.2162 | |
| 421 | R | A | -1.3593 | |
| 422 | S | A | -0.7097 | |
| 423 | A | A | -0.1692 | |
| 424 | Y | A | 0.9087 | |
| 425 | G | A | 0.1452 | |
| 426 | G | A | 0.0852 | |
| 427 | L | A | 0.7428 | |
| 428 | Q | A | -0.7389 | |
| 429 | T | A | -0.3031 | |
| 430 | S | A | 0.0305 | |
| 431 | S | A | 0.7097 | |
| 432 | Y | A | 2.1316 | |
| 433 | L | A | 2.5614 | |
| 434 | M | A | 1.7405 | |
| 435 | S | A | 0.3210 | |
| 436 | T | A | -0.3856 | |
| 437 | R | A | -1.2723 | |
| 438 | S | A | 0.1707 | |
| 439 | I | A | 2.3104 | mutated: FI439A |
| 440 | L | A | 2.6755 | mutated: PL440A |
| 441 | S | A | 1.9866 | |
| 442 | Y | A | 2.4662 | |
| 443 | Y | A | 1.8596 | |
| 444 | T | A | 0.7246 | |
| 445 | S | A | 0.1269 | |
| 446 | H | A | -0.6770 | |
| 447 | V | A | -0.1051 | |
| 448 | Q | A | -2.2109 | |
| 449 | E | A | -2.9818 | |
| 450 | E | A | -3.0832 | |
| 451 | Q | A | -2.0301 | |
| 452 | I | A | 0.0186 | |
| 453 | E | A | -1.2730 | |
| 454 | V | A | -0.0281 | |
| 455 | E | A | -1.8694 | |
| 456 | E | A | -2.2517 | |
| 457 | T | A | -0.5560 | |
| 458 | I | A | 0.3801 | |
| 459 | E | A | -1.3680 | |
| 460 | A | A | -0.6908 | |
| 461 | A | A | -1.2128 | |
| 462 | K | A | -2.5800 | |
| 463 | A | A | -2.2186 | |
| 464 | E | A | -3.2516 | |
| 465 | E | A | -3.2905 | |
| 466 | A | A | -2.7384 | |
| 467 | K | A | -3.5793 | |
| 468 | D | A | -3.5816 | |
| 469 | E | A | -3.2475 | |
| 470 | P | A | -1.6933 | |
| 471 | P | A | -1.3638 | |
| 472 | S | A | -1.5692 | |
| 473 | E | A | -2.5910 | |
| 474 | G | A | -2.5213 | |
| 475 | E | A | -3.1056 | |
| 476 | A | A | -2.8203 | |
| 477 | E | A | -4.1739 | |
| 478 | E | A | -4.9190 | |
| 479 | E | A | -5.3154 | |
| 480 | E | A | -5.9174 | |
| 481 | K | A | -6.0031 | |
| 482 | D | A | -6.0124 | |
| 483 | K | A | -6.1177 | |
| 484 | E | A | -6.1822 | |
| 485 | E | A | -6.1633 | |
| 486 | A | A | -5.1483 | |
| 487 | E | A | -5.6446 | |
| 488 | E | A | -5.6141 | |
| 489 | E | A | -5.4697 | |
| 490 | E | A | -5.3869 | |
| 491 | A | A | -4.3644 | |
| 492 | A | A | -4.3649 | |
| 493 | E | A | -5.2674 | |
| 494 | E | A | -4.9687 | |
| 495 | E | A | -4.8969 | |
| 496 | E | A | -4.9893 | |
| 497 | A | A | -4.0057 | |
| 498 | A | A | -3.9427 | |
| 499 | K | A | -5.0260 | |
| 500 | E | A | -5.2841 | |
| 501 | E | A | -4.7961 | |
| 502 | S | A | -4.3104 | |
| 503 | E | A | -5.4808 | |
| 504 | E | A | -5.7929 | |
| 505 | A | A | -4.8596 | |
| 506 | K | A | -5.6423 | |
| 507 | E | A | -5.7906 | |
| 508 | E | A | -5.5096 | |
| 509 | E | A | -5.3544 | |
| 510 | E | A | -4.9828 | |
| 511 | G | A | -4.1527 | |
| 512 | G | A | -3.6489 | |
| 513 | E | A | -3.8679 | |
| 514 | G | A | -3.1899 | |
| 515 | E | A | -4.1611 | |
| 516 | E | A | -4.1966 | |
| 517 | G | A | -3.7881 | |
| 518 | E | A | -4.4993 | |
| 519 | E | A | -4.5804 | |
| 520 | T | A | -3.7203 | |
| 521 | K | A | -4.7491 | |
| 522 | E | A | -5.0061 | |
| 523 | A | A | -4.1927 | |
| 524 | E | A | -5.4442 | |
| 525 | E | A | -5.2683 | |
| 526 | E | A | -5.4119 | |
| 527 | E | A | -5.1303 | |
| 528 | K | A | -4.9085 | |
| 529 | K | A | -4.1008 | |
| 530 | V | A | -2.0131 | |
| 531 | E | A | -3.5428 | |
| 532 | G | A | -3.0835 | |
| 533 | A | A | -2.3399 | |
| 534 | G | A | -2.7409 | |
| 535 | E | A | -3.7525 | |
| 536 | E | A | -4.1842 | |
| 537 | Q | A | -3.8255 | |
| 538 | A | A | -3.0870 | |
| 539 | A | A | -3.4343 | |
| 540 | K | A | -4.4035 | |
| 541 | K | A | -4.2418 | |
| 542 | K | A | -3.9784 | |
| 543 | D | A | -3.4741 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -1.2659 | 3.855 | View | CSV | PDB |
| 4.5 | -1.4801 | 3.7872 | View | CSV | PDB |
| 5.0 | -1.7752 | 3.6967 | View | CSV | PDB |
| 5.5 | -2.0989 | 3.6126 | View | CSV | PDB |
| 6.0 | -2.3907 | 3.572 | View | CSV | PDB |
| 6.5 | -2.5987 | 3.6031 | View | CSV | PDB |
| 7.0 | -2.6975 | 3.7046 | View | CSV | PDB |
| 7.5 | -2.7058 | 3.8517 | View | CSV | PDB |
| 8.0 | -2.6629 | 4.0193 | View | CSV | PDB |
| 8.5 | -2.5938 | 4.1941 | View | CSV | PDB |
| 9.0 | -2.5061 | 4.3696 | 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