| Chain sequence(s) |
C: SNISRQAYADMFGPTVGDKVRLADTELWIEVEDDLTTYGEEVKFGGGKVIRDGMGQGQMLAADCVDLVLTNALIVDHWGIVKADIGVKDGRIFAIGKAGNPDIQPNVTIPIGAATEVIAAEGKIVTAGGIDTHIHWICPQQAEEALVSGVTTMVGGGTGPAAGTHATTCTPGPWYISRMLQAADSLPVNIGLLGKGNVSQPDALREQVAAGVIGLIHEDWGATPAAIDCALTVADEMDIQVALHSDTLNESGFVEDTLAAIGGRTIHTFHTEGAGGGHAPDIITACAHPNILPSSTNPTLPYTLNTIDEHLDMLMVAHHLDPDIAEDVAFAESRIRRETIAAEDVLHDLGAFSLTSSDSQAMGRVGEVILRTWQVAHRMKVQRGALAEETGDNDNFRVKRYIAKYTINPALTHGIAHEVGSIEVGKLADLVVWSPAFFGVKPATVIKGGMIAIAPMGDINASIPTPQPVHYRPMFGALGSARHHCRLTFLSQAAAANGVAERLNLRSAIAVVKGCRTVQKADMVHNSLQPNITVDAQTYEVRVDGELITSEPADVLPMAQRYFLF
input PDB |
| Selected Chain(s) | C |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| 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 C 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 (00:06:16)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a23e8134271f3fc/tmp/folded.pdb (00:06:16)
[INFO] Main: Simulation completed successfully. (00:13:51)
|
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 |
|---|---|---|---|---|
| 2 | S | C | -0.4424 | |
| 3 | N | C | -0.8112 | |
| 4 | I | C | 0.0623 | |
| 5 | S | C | -1.0195 | |
| 6 | R | C | -2.5511 | |
| 7 | Q | C | -2.3720 | |
| 8 | A | C | -1.3515 | |
| 9 | Y | C | 0.0000 | |
| 10 | A | C | -1.7464 | |
| 11 | D | C | -2.1811 | |
| 12 | M | C | -0.8427 | |
| 13 | F | C | -0.3490 | |
| 14 | G | C | 0.0000 | |
| 15 | P | C | -1.1997 | |
| 16 | T | C | 0.0000 | |
| 17 | V | C | -0.7210 | |
| 18 | G | C | -1.0613 | |
| 19 | D | C | -1.6118 | |
| 20 | K | C | -2.2690 | |
| 21 | V | C | -1.0552 | |
| 22 | R | C | -1.2390 | |
| 23 | L | C | 0.0000 | |
| 24 | A | C | 0.0000 | |
| 25 | D | C | -0.8657 | |
| 26 | T | C | 0.0000 | |
| 27 | E | C | -1.2303 | |
| 28 | L | C | 0.0000 | |
| 29 | W | C | -0.8993 | |
| 30 | I | C | 0.0000 | |
| 31 | E | C | -1.9302 | |
| 32 | V | C | 0.0000 | |
| 33 | E | C | -2.0184 | |
| 34 | D | C | -1.8798 | |
| 35 | D | C | -0.5855 | |
| 36 | L | C | 0.2857 | |
| 37 | T | C | 0.0511 | |
| 38 | T | C | 0.2154 | |
| 39 | Y | C | 0.8146 | |
| 40 | G | C | -0.0906 | |
| 41 | E | C | -0.2457 | |
| 42 | E | C | 0.0000 | |
| 43 | V | C | 0.0000 | |
| 44 | K | C | 0.1892 | |
| 45 | F | C | 1.1239 | |
| 46 | G | C | -0.1384 | |
| 47 | G | C | -0.8794 | |
| 48 | G | C | -1.1332 | |
| 49 | K | C | -0.9886 | |
| 50 | V | C | -0.6395 | |
| 51 | I | C | 0.0000 | |
| 52 | R | C | -2.3938 | |
| 53 | D | C | -2.7689 | |
| 54 | G | C | -1.5644 | |
| 55 | M | C | -0.8980 | |
| 56 | G | C | 0.0000 | |
| 57 | Q | C | -1.5096 | |
| 58 | G | C | 0.0000 | |
| 59 | Q | C | -1.5891 | |
| 60 | M | C | -0.1523 | |
| 61 | L | C | 0.8666 | |
| 62 | A | C | -0.0933 | |
| 63 | A | C | -0.6501 | |
| 64 | D | C | -1.5248 | |
| 65 | C | C | 0.0000 | |
| 66 | V | C | 0.0000 | |
| 67 | D | C | -2.3929 | |
| 68 | L | C | 0.0000 | |
| 69 | V | C | 0.0000 | |
| 70 | L | C | 0.0000 | |
| 71 | T | C | 0.0000 | |
| 72 | N | C | 0.0000 | |
| 73 | A | C | 0.0000 | |
| 74 | L | C | 0.0000 | |
| 75 | I | C | 0.0000 | |
| 76 | V | C | 0.0000 | |
| 77 | D | C | 0.0000 | |
| 78 | H | C | 0.0779 | |
| 79 | W | C | 0.3669 | |
| 80 | G | C | 0.0000 | |
| 81 | I | C | 0.0000 | |
| 82 | V | C | 0.0000 | |
| 83 | K | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | D | C | 0.0000 | |
| 86 | I | C | 0.0000 | |
| 87 | G | C | 0.0000 | |
| 88 | V | C | 0.0000 | |
| 89 | K | C | -1.9937 | |
| 90 | D | C | -2.4329 | |
| 91 | G | C | -1.6241 | |
| 92 | R | C | -1.0778 | |
| 93 | I | C | 0.0000 | |
| 94 | F | C | 0.6220 | |
| 95 | A | C | 0.8407 | |
| 96 | I | C | 0.8667 | |
| 97 | G | C | 0.0000 | |
| 98 | K | C | 0.0000 | |
| 99 | A | C | 0.0000 | |
| 100 | G | C | 0.0000 | |
| 101 | N | C | 0.0000 | |
| 102 | P | C | -0.8315 | |
| 103 | D | C | -1.1162 | |
| 104 | I | C | 0.9903 | |
| 105 | Q | C | 0.0000 | |
| 106 | P | C | -0.6759 | |
| 107 | N | C | -1.2635 | |
| 108 | V | C | -0.5771 | |
| 109 | T | C | -0.1813 | |
| 110 | I | C | 0.0000 | |
| 111 | P | C | -0.8533 | |
| 112 | I | C | 0.0000 | |
| 113 | G | C | 0.0000 | |
| 114 | A | C | -0.7813 | |
| 115 | A | C | -0.7047 | |
| 116 | T | C | 0.0000 | |
| 117 | E | C | -1.9678 | |
| 118 | V | C | -0.3582 | |
| 119 | I | C | 0.2303 | |
| 120 | A | C | 0.3866 | |
| 121 | A | C | 0.0000 | |
| 122 | E | C | -0.6743 | |
| 123 | G | C | -0.8684 | |
| 124 | K | C | -0.6848 | |
| 125 | I | C | 0.0000 | |
| 126 | V | C | 0.0000 | |
| 127 | T | C | 0.0000 | |
| 128 | A | C | 0.0000 | |
| 129 | G | C | 0.0000 | |
| 130 | G | C | 0.0000 | |
| 131 | I | C | 0.0000 | |
| 132 | D | C | 0.0000 | |
| 133 | T | C | 0.0000 | |
| 134 | H | C | 0.0000 | |
| 135 | I | C | 0.0000 | |
| 136 | H | C | 0.0000 | |
| 137 | W | C | 0.0000 | |
| 138 | I | C | 0.0000 | |
| 139 | C | C | -0.4126 | |
| 140 | P | C | -1.0927 | |
| 141 | Q | C | -1.9222 | |
| 142 | Q | C | 0.0000 | |
| 143 | A | C | 0.0000 | |
| 144 | E | C | -2.1565 | |
| 145 | E | C | -2.5882 | |
| 146 | A | C | 0.0000 | |
| 147 | L | C | 0.0000 | |
| 148 | V | C | -0.6954 | |
| 149 | S | C | -0.7136 | |
| 150 | G | C | 0.0000 | |
| 151 | V | C | 0.0000 | |
| 152 | T | C | 0.0000 | |
| 153 | T | C | 0.0000 | |
| 154 | M | C | 0.0000 | |
| 155 | V | C | 0.0000 | |
| 156 | G | C | 0.0000 | |
| 157 | G | C | 0.0000 | |
| 158 | G | C | 0.0000 | |
| 159 | T | C | 0.0069 | |
| 160 | G | C | -0.1628 | |
| 161 | P | C | -0.2876 | |
| 162 | A | C | -0.1570 | |
| 163 | A | C | -0.3056 | |
| 164 | G | C | -0.4594 | |
| 165 | T | C | 0.0000 | |
| 166 | H | C | -0.3945 | |
| 167 | A | C | 0.0000 | |
| 168 | T | C | 0.0000 | |
| 169 | T | C | 0.0000 | |
| 170 | C | C | 0.0000 | |
| 171 | T | C | 0.0000 | |
| 172 | P | C | 0.1698 | |
| 173 | G | C | 0.0356 | |
| 174 | P | C | 0.2318 | |
| 175 | W | C | 1.3908 | |
| 176 | Y | C | 1.1428 | |
| 177 | I | C | 0.0000 | |
| 178 | S | C | 0.0660 | |
| 179 | R | C | -0.1346 | |
| 180 | M | C | 0.0047 | |
| 181 | L | C | 0.0000 | |
| 182 | Q | C | -1.0761 | |
| 183 | A | C | -0.4342 | |
| 184 | A | C | 0.0000 | |
| 185 | D | C | 0.0000 | |
| 186 | S | C | -0.4473 | |
| 187 | L | C | 0.0000 | |
| 188 | P | C | 0.0000 | |
| 189 | V | C | 0.0000 | |
| 190 | N | C | 0.0000 | |
| 191 | I | C | 0.0000 | |
| 192 | G | C | 0.0000 | |
| 193 | L | C | 0.0000 | |
| 194 | L | C | 0.0000 | |
| 195 | G | C | 0.0000 | |
| 196 | K | C | -0.2644 | |
| 197 | G | C | 0.0000 | |
| 198 | N | C | -0.3751 | |
| 199 | V | C | -0.3469 | |
| 200 | S | C | -0.9055 | |
| 201 | Q | C | -1.6175 | |
| 202 | P | C | -1.9727 | |
| 203 | D | C | -2.8601 | |
| 204 | A | C | -1.9866 | |
| 205 | L | C | 0.0000 | |
| 206 | R | C | -2.6099 | |
| 207 | E | C | -2.6968 | |
| 208 | Q | C | 0.0000 | |
| 209 | V | C | 0.0000 | |
| 210 | A | C | -1.1460 | |
| 211 | A | C | -0.5298 | |
| 212 | G | C | 0.0000 | |
| 213 | V | C | 0.0000 | |
| 214 | I | C | 0.0000 | |
| 215 | G | C | 0.0000 | |
| 216 | L | C | 0.0000 | |
| 218 | I | C | 0.0000 | |
| 219 | H | C | 0.0000 | |
| 220 | E | C | -0.8918 | |
| 221 | D | C | -1.5147 | |
| 222 | W | C | -0.3704 | |
| 223 | G | C | -0.6351 | |
| 224 | A | C | 0.0000 | |
| 225 | T | C | -0.6828 | |
| 226 | P | C | -0.6273 | |
| 227 | A | C | -0.5015 | |
| 228 | A | C | 0.0000 | |
| 229 | I | C | 0.0000 | |
| 230 | D | C | -1.2569 | |
| 231 | C | C | -0.9295 | |
| 232 | A | C | 0.0000 | |
| 233 | L | C | 0.0000 | |
| 234 | T | C | -1.2622 | |
| 235 | V | C | 0.0000 | |
| 236 | A | C | 0.0000 | |
| 237 | D | C | -2.4030 | |
| 238 | E | C | -2.6119 | |
| 239 | M | C | -1.7666 | |
| 240 | D | C | -1.8163 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | V | C | 0.0000 | |
| 244 | A | C | 0.0000 | |
| 245 | L | C | 0.0000 | |
| 246 | H | C | 0.0000 | |
| 247 | S | C | 0.0000 | |
| 248 | D | C | 0.0000 | |
| 249 | T | C | 0.0000 | |
| 250 | L | C | 0.4597 | |
| 251 | N | C | -0.2834 | |
| 252 | E | C | -1.4264 | |
| 253 | S | C | -0.8586 | |
| 254 | G | C | -0.5752 | |
| 255 | F | C | 0.3006 | |
| 256 | V | C | 0.0000 | |
| 257 | E | C | -1.7959 | |
| 258 | D | C | -1.5345 | |
| 259 | T | C | 0.0000 | |
| 260 | L | C | -0.8164 | |
| 261 | A | C | -1.1482 | |
| 262 | A | C | -1.0445 | |
| 263 | I | C | 0.0000 | |
| 264 | G | C | -1.0245 | |
| 265 | G | C | -0.9322 | |
| 266 | R | C | -1.2012 | |
| 267 | T | C | 0.0000 | |
| 268 | I | C | 0.0000 | |
| 269 | H | C | 0.0000 | |
| 270 | T | C | 0.0000 | |
| 271 | F | C | 0.0000 | |
| 272 | H | C | 0.0000 | |
| 273 | T | C | 0.0000 | |
| 274 | E | C | 0.0000 | |
| 275 | G | C | 0.0000 | |
| 276 | A | C | 0.0000 | |
| 277 | G | C | 0.0000 | |
| 278 | G | C | 0.0000 | |
| 279 | G | C | 0.0000 | |
| 280 | H | C | 0.0000 | |
| 281 | A | C | 0.2306 | |
| 282 | P | C | -0.1648 | |
| 283 | D | C | -0.3239 | |
| 284 | I | C | 0.0000 | |
| 285 | I | C | 0.0000 | |
| 286 | T | C | -0.5678 | |
| 287 | A | C | 0.0000 | |
| 288 | C | C | 0.0000 | |
| 289 | A | C | -0.6613 | |
| 290 | H | C | -0.8853 | |
| 291 | P | C | -0.9115 | |
| 292 | N | C | -0.9229 | |
| 293 | I | C | 0.0000 | |
| 294 | L | C | 0.0000 | |
| 295 | P | C | 0.0000 | |
| 296 | S | C | 0.0000 | |
| 297 | S | C | 0.0000 | |
| 298 | T | C | 0.0000 | |
| 299 | N | C | 0.0000 | |
| 300 | P | C | 0.0000 | |
| 301 | T | C | 0.0000 | |
| 302 | L | C | 0.0000 | |
| 303 | P | C | 0.0000 | |
| 304 | Y | C | 0.0000 | |
| 305 | T | C | -0.1131 | |
| 306 | L | C | 0.1629 | |
| 307 | N | C | -1.3851 | |
| 308 | T | C | 0.0000 | |
| 309 | I | C | -0.9777 | |
| 310 | D | C | -2.1365 | |
| 311 | E | C | -1.8572 | |
| 312 | H | C | 0.0000 | |
| 313 | L | C | -0.9968 | |
| 314 | D | C | -1.4305 | |
| 315 | M | C | -0.5056 | |
| 316 | L | C | 0.0000 | |
| 317 | M | C | 0.0000 | |
| 318 | V | C | 0.9482 | |
| 319 | A | C | 0.0000 | |
| 320 | H | C | 0.0000 | |
| 321 | H | C | -0.8015 | |
| 322 | L | C | -0.8829 | |
| 323 | D | C | -1.5132 | |
| 324 | P | C | -1.5278 | |
| 325 | D | C | -1.8845 | |
| 326 | I | C | -0.6556 | |
| 327 | A | C | -0.9146 | |
| 328 | E | C | -1.9849 | |
| 329 | D | C | -1.5475 | |
| 330 | V | C | -1.1887 | |
| 331 | A | C | -0.8947 | |
| 332 | F | C | -0.5415 | |
| 333 | A | C | 0.0000 | |
| 334 | E | C | -1.7218 | |
| 335 | S | C | -0.6020 | |
| 336 | R | C | 0.0000 | |
| 337 | I | C | -0.8786 | |
| 338 | R | C | 0.0000 | |
| 339 | R | C | -2.0429 | |
| 340 | E | C | -1.6528 | |
| 341 | T | C | 0.0000 | |
| 342 | I | C | 0.0000 | |
| 343 | A | C | 0.0000 | |
| 344 | A | C | 0.0000 | |
| 345 | E | C | 0.0000 | |
| 346 | D | C | 0.0000 | |
| 347 | V | C | 0.0000 | |
| 348 | L | C | 0.0000 | |
| 349 | H | C | 0.0000 | |
| 350 | D | C | 0.0000 | |
| 351 | L | C | 0.3926 | |
| 352 | G | C | 0.0000 | |
| 353 | A | C | 0.0000 | |
| 354 | F | C | 0.0000 | |
| 355 | S | C | 0.0000 | |
| 356 | L | C | 0.0000 | |
| 357 | T | C | 0.0000 | |
| 358 | S | C | 0.0000 | |
| 359 | S | C | 0.0000 | |
| 360 | D | C | 0.0000 | |
| 361 | S | C | 0.0000 | |
| 362 | Q | C | -1.2009 | |
| 363 | A | C | 0.0000 | |
| 364 | M | C | 0.0000 | |
| 365 | G | C | -0.7660 | |
| 366 | R | C | -1.3615 | |
| 367 | V | C | 0.0000 | |
| 368 | G | C | -1.2018 | |
| 369 | E | C | -0.9991 | |
| 370 | V | C | 0.0000 | |
| 371 | I | C | 0.0000 | |
| 372 | L | C | 0.0000 | |
| 373 | R | C | -0.4286 | |
| 374 | T | C | 0.0000 | |
| 375 | W | C | 0.0000 | |
| 376 | Q | C | 0.0000 | |
| 377 | V | C | 0.0000 | |
| 378 | A | C | 0.0000 | |
| 379 | H | C | -0.5290 | |
| 380 | R | C | -0.5638 | |
| 381 | M | C | 0.0000 | |
| 382 | K | C | -0.6361 | |
| 383 | V | C | 0.2767 | |
| 384 | Q | C | -0.8737 | |
| 385 | R | C | -1.4388 | |
| 386 | G | C | -0.7188 | |
| 387 | A | C | -0.7702 | |
| 388 | L | C | 0.0000 | |
| 389 | A | C | -0.5212 | |
| 390 | E | C | -1.1841 | |
| 391 | E | C | -1.1626 | |
| 392 | T | C | -1.0714 | |
| 393 | G | C | -1.5012 | |
| 394 | D | C | -2.3242 | |
| 395 | N | C | -1.4716 | |
| 396 | D | C | 0.0000 | |
| 397 | N | C | 0.0000 | |
| 398 | F | C | -0.2179 | |
| 399 | R | C | 0.0000 | |
| 400 | V | C | 0.0000 | |
| 401 | K | C | -0.0802 | |
| 402 | R | C | 0.0000 | |
| 403 | Y | C | 0.0000 | |
| 404 | I | C | 0.0000 | |
| 405 | A | C | 0.0000 | |
| 406 | K | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | T | C | 0.0000 | |
| 409 | I | C | 0.0000 | |
| 410 | N | C | 0.0000 | |
| 411 | P | C | 0.0000 | |
| 412 | A | C | 0.0000 | |
| 413 | L | C | -0.2354 | |
| 414 | T | C | 0.0000 | |
| 415 | H | C | 0.0000 | |
| 416 | G | C | 0.0000 | |
| 417 | I | C | 0.0000 | |
| 418 | A | C | -0.6482 | |
| 419 | H | C | -1.3317 | |
| 420 | E | C | -0.8198 | |
| 421 | V | C | 0.0000 | |
| 422 | G | C | 0.0000 | |
| 423 | S | C | 0.0000 | |
| 424 | I | C | 0.0000 | |
| 425 | E | C | 0.1433 | |
| 426 | V | C | 1.4915 | |
| 427 | G | C | -0.1012 | |
| 428 | K | C | 0.0000 | |
| 429 | L | C | 0.0000 | |
| 430 | A | C | 0.0000 | |
| 431 | D | C | 0.0000 | |
| 432 | L | C | 0.0000 | |
| 433 | V | C | 0.0000 | |
| 434 | V | C | 0.0000 | |
| 435 | W | C | 0.0000 | |
| 436 | S | C | -0.1376 | |
| 437 | P | C | -0.0836 | |
| 438 | A | C | 0.1545 | |
| 439 | F | C | 0.7048 | |
| 440 | F | C | 0.0000 | |
| 441 | G | C | 0.0000 | |
| 442 | V | C | 0.0000 | |
| 443 | K | C | -0.1964 | |
| 444 | P | C | 0.0000 | |
| 445 | A | C | -0.0066 | |
| 446 | T | C | 0.0504 | |
| 447 | V | C | 0.0000 | |
| 448 | I | C | 0.0000 | |
| 449 | K | C | 0.0000 | |
| 450 | G | C | -0.6757 | |
| 451 | G | C | -0.8031 | |
| 452 | M | C | 0.5997 | |
| 453 | I | C | 0.8172 | |
| 454 | A | C | 0.0000 | |
| 455 | I | C | 0.0000 | |
| 456 | A | C | -0.0269 | |
| 457 | P | C | -0.0887 | |
| 458 | M | C | 0.4524 | |
| 459 | G | C | 0.0000 | |
| 460 | D | C | -0.1578 | |
| 461 | I | C | 1.2698 | |
| 462 | N | C | -0.3173 | |
| 463 | A | C | 0.0669 | |
| 464 | S | C | 0.5817 | |
| 465 | I | C | 1.7653 | |
| 466 | P | C | 0.7856 | |
| 467 | T | C | 0.4505 | |
| 468 | P | C | -0.1608 | |
| 469 | Q | C | -1.0506 | |
| 470 | P | C | -0.5476 | |
| 471 | V | C | 0.3199 | |
| 472 | H | C | -0.6420 | |
| 473 | Y | C | -0.5347 | |
| 474 | R | C | -0.5504 | |
| 475 | P | C | 0.2915 | |
| 476 | M | C | 1.2845 | |
| 477 | F | C | 2.4687 | |
| 478 | G | C | 0.0000 | |
| 479 | A | C | 0.9585 | |
| 480 | L | C | 1.7294 | |
| 481 | G | C | 0.1060 | |
| 482 | S | C | -0.5037 | |
| 483 | A | C | 0.2199 | |
| 484 | R | C | -0.1311 | |
| 485 | H | C | -1.1281 | |
| 486 | H | C | -1.3000 | |
| 487 | C | C | 0.0000 | |
| 488 | R | C | 0.0000 | |
| 489 | L | C | 0.0000 | |
| 490 | T | C | 0.0000 | |
| 491 | F | C | 0.0000 | |
| 492 | L | C | 0.0000 | |
| 493 | S | C | 0.0000 | |
| 494 | Q | C | -1.0736 | |
| 495 | A | C | -0.8433 | |
| 496 | A | C | 0.0000 | |
| 497 | A | C | -0.5787 | |
| 498 | A | C | -0.6112 | |
| 499 | N | C | -1.6365 | |
| 500 | G | C | -1.7445 | |
| 501 | V | C | 0.0000 | |
| 502 | A | C | -2.1228 | |
| 503 | E | C | -3.4993 | |
| 504 | R | C | -3.1864 | |
| 505 | L | C | -2.2928 | |
| 506 | N | C | -2.9868 | |
| 507 | L | C | -2.1231 | |
| 508 | R | C | -2.6144 | |
| 509 | S | C | 0.0000 | |
| 510 | A | C | -0.3480 | |
| 511 | I | C | 0.4864 | |
| 512 | A | C | 0.0000 | |
| 513 | V | C | -0.1737 | |
| 514 | V | C | 0.0000 | |
| 515 | K | C | -2.0134 | |
| 516 | G | C | -1.1980 | |
| 517 | C | C | 0.0000 | |
| 518 | R | C | -1.4022 | |
| 519 | T | C | -0.9223 | |
| 520 | V | C | 0.0000 | |
| 521 | Q | C | -1.1579 | |
| 522 | K | C | 0.0000 | |
| 523 | A | C | -0.6073 | |
| 524 | D | C | -0.9799 | |
| 525 | M | C | 0.0000 | |
| 526 | V | C | -0.0328 | |
| 527 | H | C | -0.1131 | |
| 528 | N | C | 0.0000 | |
| 529 | S | C | -0.1434 | |
| 530 | L | C | 0.2178 | |
| 531 | Q | C | -0.6335 | |
| 532 | P | C | 0.0000 | |
| 533 | N | C | -1.9619 | |
| 534 | I | C | -1.2824 | |
| 535 | T | C | -1.1124 | |
| 536 | V | C | -0.6969 | |
| 537 | D | C | -1.4799 | |
| 538 | A | C | -0.9757 | |
| 539 | Q | C | -1.4354 | |
| 540 | T | C | -0.9716 | |
| 541 | Y | C | -1.1204 | |
| 542 | E | C | -1.2430 | |
| 543 | V | C | 0.0000 | |
| 544 | R | C | -1.8221 | |
| 545 | V | C | -1.8698 | |
| 546 | D | C | -2.8930 | |
| 547 | G | C | -2.3670 | |
| 548 | E | C | -2.3982 | |
| 549 | L | C | -0.8605 | |
| 550 | I | C | -0.5411 | |
| 551 | T | C | -0.9200 | |
| 552 | S | C | -1.4004 | |
| 553 | E | C | -1.9653 | |
| 554 | P | C | -1.0848 | |
| 555 | A | C | 0.0000 | |
| 556 | D | C | -0.8202 | |
| 557 | V | C | 1.0846 | |
| 558 | L | C | 0.2275 | |
| 559 | P | C | 0.0000 | |
| 560 | M | C | 0.0000 | |
| 561 | A | C | -0.2783 | |
| 562 | Q | C | -0.9804 | |
| 563 | R | C | -1.9563 | |
| 564 | Y | C | -0.1408 | |
| 565 | F | C | 1.3157 | |
| 566 | L | C | 2.4345 | |
| 567 | F | C | 2.7726 |
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 globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | 0.0534 | 5.5294 | View | CSV | PDB |
| 4.5 | -0.0021 | 5.5294 | View | CSV | PDB |
| 5.0 | -0.0716 | 5.5294 | View | CSV | PDB |
| 5.5 | -0.1451 | 5.5294 | View | CSV | PDB |
| 6.0 | -0.2141 | 5.5294 | View | CSV | PDB |
| 6.5 | -0.2733 | 5.5294 | View | CSV | PDB |
| 7.0 | -0.3214 | 5.5294 | View | CSV | PDB |
| 7.5 | -0.3609 | 5.5294 | View | CSV | PDB |
| 8.0 | -0.3946 | 5.5294 | View | CSV | PDB |
| 8.5 | -0.422 | 5.5294 | View | CSV | PDB |
| 9.0 | -0.4407 | 5.5293 | 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