| Chain sequence(s) |
A: MMEYAAIHHQPFSSDAYSYDGRTLHIRIRTKKDDAEHVRLVWGDPYEYTGGTWKANELPMKKIASTSTHDYWFAEVAPPFRRLQYGFILTGADDRDTFYGSNGACPFAGKAADIGKHCFKFPFVHEADTFKVPDWVKSTVWYQIFPERFANGREDLSPENALPWGSKDPTPHDFFGGDLQGIIDHLDYLEDLGINGIYLTPIFKAPSNHKYDTLDYMSIDPHFGDKETFRTLVSEIHERGMKIMLDAVFNHIGSQSPQWQDVVKNGEQSRYKDWFHIHSFPVKEGSYDTFAFTPEMPKLNTANPEVQKYLLDIALYWIREFDIDAWRLDVANEVDHAFWKKFRQAVTAEKPDIYILGEIWHQAWSWLQGDEFHAVMNYAFTEAIIDYFADGSISASQMVSRINSHLMSYMKQVNEVMFNLLDSHDTARILTRCGGDKKKVRSLLAFMFAQPGSPCIYYGTEIGLDGGPDPDCRKCMVWEEEKQNQEMLAFMKRLIALRKQYNDVLTYGALEWKEVDDQNNFVSFSRTHEGKELIFFFNQGSEVRRVRLRDLKIESDKRIYDAWTEEPLHHDDVVDIQPKGFFILGAV
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 |
| 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 (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d47de2499c39aa7/tmp/folded.pdb (00:10:26)
[INFO] Main: Simulation completed successfully. (00:14:01)
|
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 | -0.0091 | |
| 2 | M | A | 0.0000 | |
| 3 | E | A | -1.1118 | |
| 4 | Y | A | -0.2535 | |
| 5 | A | A | -0.3954 | |
| 6 | A | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | H | A | -0.8330 | |
| 9 | H | A | 0.0000 | |
| 10 | Q | A | -0.6396 | |
| 11 | P | A | 0.2643 | |
| 12 | F | A | 1.2971 | |
| 13 | S | A | 0.4934 | |
| 14 | S | A | 0.0000 | |
| 15 | D | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | S | A | -1.3547 | |
| 19 | Y | A | -1.5204 | |
| 20 | D | A | -2.6709 | |
| 21 | G | A | 0.0000 | |
| 22 | R | A | -2.4843 | |
| 23 | T | A | -1.7142 | |
| 24 | L | A | 0.0000 | |
| 25 | H | A | 0.0000 | |
| 26 | I | A | 0.0000 | |
| 27 | R | A | 0.0000 | |
| 28 | I | A | 0.0000 | |
| 29 | R | A | -0.8982 | |
| 30 | T | A | 0.0000 | |
| 31 | K | A | -2.2440 | |
| 32 | K | A | -2.8328 | |
| 33 | D | A | -3.0854 | |
| 34 | D | A | -2.5093 | |
| 35 | A | A | 0.0000 | |
| 36 | E | A | -3.3101 | |
| 37 | H | A | -2.6229 | |
| 38 | V | A | 0.0000 | |
| 39 | R | A | -1.3382 | |
| 40 | L | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | W | A | -0.9314 | |
| 43 | G | A | 0.0000 | |
| 44 | D | A | 0.0000 | |
| 45 | P | A | 0.0000 | |
| 46 | Y | A | 1.0186 | |
| 47 | E | A | 0.0434 | |
| 48 | Y | A | 0.5833 | |
| 49 | T | A | -0.2610 | |
| 50 | G | A | -0.5331 | |
| 51 | G | A | -0.5470 | |
| 52 | T | A | -0.8439 | |
| 53 | W | A | 0.0000 | |
| 54 | K | A | -1.0095 | |
| 55 | A | A | -1.3740 | |
| 56 | N | A | -2.3111 | |
| 57 | E | A | -2.3855 | |
| 58 | L | A | -1.4156 | |
| 59 | P | A | -1.5379 | |
| 60 | M | A | 0.0000 | |
| 61 | K | A | -1.9819 | |
| 62 | K | A | -2.0645 | |
| 63 | I | A | -0.6858 | |
| 64 | A | A | 0.0000 | |
| 65 | S | A | -0.9809 | |
| 66 | T | A | -0.8895 | |
| 67 | S | A | -0.9267 | |
| 68 | T | A | -1.0484 | |
| 69 | H | A | -1.4523 | |
| 70 | D | A | 0.0000 | |
| 71 | Y | A | 0.0000 | |
| 72 | W | A | 0.0000 | |
| 73 | F | A | -0.8573 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -1.6124 | |
| 76 | V | A | 0.0000 | |
| 77 | A | A | -0.6834 | |
| 78 | P | A | 0.0000 | |
| 79 | P | A | 0.2815 | |
| 80 | F | A | 1.5036 | |
| 81 | R | A | 0.1943 | |
| 82 | R | A | 0.1734 | |
| 83 | L | A | 0.0000 | |
| 84 | Q | A | 0.0000 | |
| 85 | Y | A | 0.0000 | |
| 86 | G | A | 0.0000 | |
| 87 | F | A | 0.0000 | |
| 88 | I | A | 0.0000 | |
| 89 | L | A | 0.0000 | |
| 90 | T | A | 0.0000 | |
| 91 | G | A | 0.0000 | |
| 92 | A | A | -2.0411 | |
| 93 | D | A | -2.1940 | |
| 94 | D | A | -3.4023 | |
| 95 | R | A | -3.0285 | |
| 96 | D | A | -1.9977 | |
| 97 | T | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | -0.2034 | |
| 100 | G | A | 0.0000 | |
| 101 | S | A | -1.4657 | |
| 102 | N | A | -1.6426 | |
| 103 | G | A | -0.7682 | |
| 104 | A | A | -0.2513 | |
| 105 | C | A | 0.2397 | |
| 106 | P | A | -0.3626 | |
| 107 | F | A | -0.7713 | |
| 108 | A | A | -1.0269 | |
| 109 | G | A | -1.5433 | |
| 110 | K | A | -2.3513 | |
| 111 | A | A | -1.7358 | |
| 112 | A | A | -1.8213 | |
| 113 | D | A | -2.7048 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -1.7825 | |
| 116 | K | A | -2.5332 | |
| 117 | H | A | -1.9589 | |
| 118 | C | A | -1.2941 | |
| 119 | F | A | 0.0000 | |
| 120 | K | A | -0.9096 | |
| 121 | F | A | 0.0132 | |
| 122 | P | A | -0.1303 | |
| 123 | F | A | 0.6501 | |
| 124 | V | A | 0.0000 | |
| 125 | H | A | -2.1857 | |
| 126 | E | A | -3.2827 | |
| 127 | A | A | -2.3341 | |
| 128 | D | A | -3.0487 | |
| 129 | T | A | -2.9075 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -2.8038 | |
| 132 | V | A | -1.3192 | |
| 133 | P | A | 0.0000 | |
| 134 | D | A | -2.2028 | |
| 135 | W | A | -1.0741 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -0.8690 | |
| 138 | S | A | -1.0166 | |
| 139 | T | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | W | A | 0.0000 | |
| 142 | Y | A | 0.0000 | |
| 143 | Q | A | 0.0000 | |
| 144 | I | A | 0.0000 | |
| 145 | F | A | 0.0000 | |
| 146 | P | A | 0.0000 | |
| 147 | E | A | 0.0000 | |
| 148 | R | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | A | A | 0.0000 | |
| 151 | N | A | -1.7141 | |
| 152 | G | A | -2.0203 | |
| 153 | R | A | -2.5374 | |
| 154 | E | A | -3.2325 | |
| 155 | D | A | -3.1214 | |
| 156 | L | A | -1.8734 | |
| 157 | S | A | -2.0218 | |
| 158 | P | A | 0.0000 | |
| 159 | E | A | -2.5567 | |
| 160 | N | A | -2.1088 | |
| 161 | A | A | -1.1699 | |
| 162 | L | A | -0.6317 | |
| 163 | P | A | -0.4601 | |
| 164 | W | A | -0.2728 | |
| 165 | G | A | -1.3037 | |
| 166 | S | A | -1.5067 | |
| 167 | K | A | -2.8203 | |
| 168 | D | A | -3.0332 | |
| 169 | P | A | 0.0000 | |
| 170 | T | A | -1.5108 | |
| 171 | P | A | -1.1274 | |
| 172 | H | A | -1.2049 | |
| 173 | D | A | -1.2253 | |
| 174 | F | A | -0.5951 | |
| 175 | F | A | 0.0000 | |
| 176 | G | A | 0.0000 | |
| 177 | G | A | 0.0000 | |
| 178 | D | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | Q | A | -1.3366 | |
| 181 | G | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | I | A | -1.2372 | |
| 184 | D | A | -2.3704 | |
| 185 | H | A | -1.9655 | |
| 186 | L | A | 0.0000 | |
| 187 | D | A | -3.2162 | |
| 188 | Y | A | -2.0861 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -3.1312 | |
| 191 | D | A | -3.0326 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -1.7230 | |
| 194 | I | A | 0.0000 | |
| 195 | N | A | -0.8665 | |
| 196 | G | A | 0.0000 | |
| 197 | I | A | 0.0000 | |
| 198 | Y | A | 0.0000 | |
| 199 | L | A | 0.0000 | |
| 200 | T | A | 0.0000 | |
| 201 | P | A | 0.0000 | |
| 202 | I | A | 0.0000 | |
| 203 | F | A | 0.0000 | |
| 204 | K | A | -1.1022 | |
| 205 | A | A | 0.0000 | |
| 206 | P | A | -0.6356 | |
| 207 | S | A | -0.5527 | |
| 208 | N | A | 0.0000 | |
| 209 | H | A | -0.4177 | |
| 210 | K | A | 0.0000 | |
| 211 | Y | A | -0.1259 | |
| 212 | D | A | -0.8477 | |
| 213 | T | A | 0.0000 | |
| 214 | L | A | -0.7595 | |
| 215 | D | A | -0.8487 | |
| 216 | Y | A | 0.0000 | |
| 217 | M | A | -0.2609 | |
| 218 | S | A | -0.9030 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | P | A | -0.9940 | |
| 222 | H | A | -1.1969 | |
| 223 | F | A | 0.0000 | |
| 224 | G | A | -1.6754 | |
| 225 | D | A | -3.0246 | |
| 226 | K | A | -3.0387 | |
| 227 | E | A | -3.0946 | |
| 228 | T | A | -2.0902 | |
| 229 | F | A | 0.0000 | |
| 230 | R | A | -2.3179 | |
| 231 | T | A | -1.2122 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | S | A | -1.5092 | |
| 235 | E | A | -1.9807 | |
| 236 | I | A | 0.0000 | |
| 237 | H | A | -2.0320 | |
| 238 | E | A | -2.6328 | |
| 239 | R | A | -2.5305 | |
| 240 | G | A | -1.8223 | |
| 241 | M | A | 0.0000 | |
| 242 | K | A | -0.8718 | |
| 243 | I | A | 0.0000 | |
| 244 | M | A | 0.0000 | |
| 245 | L | A | 0.0000 | |
| 246 | D | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | V | A | 0.0000 | |
| 249 | F | A | 0.0000 | |
| 250 | N | A | 0.0000 | |
| 251 | H | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | G | A | 0.0000 | |
| 254 | S | A | -1.4425 | |
| 255 | Q | A | -1.9008 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -1.1117 | |
| 258 | Q | A | -1.1074 | |
| 259 | W | A | 0.0000 | |
| 260 | Q | A | -1.8610 | |
| 261 | D | A | -2.2479 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | -0.9085 | |
| 264 | K | A | -2.1628 | |
| 265 | N | A | -2.3779 | |
| 266 | G | A | -2.1302 | |
| 267 | E | A | -3.1125 | |
| 268 | Q | A | -3.0453 | |
| 269 | S | A | 0.0000 | |
| 270 | R | A | -2.8623 | |
| 271 | Y | A | -2.3762 | |
| 272 | K | A | -2.4985 | |
| 273 | D | A | -2.3895 | |
| 274 | W | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | H | A | -1.4399 | |
| 277 | I | A | -1.4500 | |
| 278 | H | A | -1.3922 | |
| 279 | S | A | -1.0758 | |
| 280 | F | A | -0.5561 | |
| 281 | P | A | -1.0562 | |
| 282 | V | A | -1.3785 | |
| 283 | K | A | -2.5997 | |
| 284 | E | A | -2.9658 | |
| 285 | G | A | -1.8428 | |
| 286 | S | A | -1.8453 | |
| 287 | Y | A | 0.0000 | |
| 288 | D | A | -0.9861 | |
| 289 | T | A | -0.2313 | |
| 290 | F | A | 0.6023 | |
| 291 | A | A | 1.2174 | |
| 292 | F | A | 1.5847 | |
| 293 | T | A | 0.2127 | |
| 294 | P | A | -1.1583 | |
| 295 | E | A | -1.7847 | |
| 296 | M | A | 0.0000 | |
| 297 | P | A | 0.0000 | |
| 298 | K | A | -0.8276 | |
| 299 | L | A | 0.0000 | |
| 300 | N | A | -1.2149 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | -0.8053 | |
| 303 | N | A | -1.4070 | |
| 304 | P | A | -1.7486 | |
| 305 | E | A | -2.6273 | |
| 306 | V | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | K | A | -2.5417 | |
| 309 | Y | A | -1.2793 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | -0.9834 | |
| 312 | D | A | -0.7469 | |
| 313 | I | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | -1.0643 | |
| 316 | Y | A | -1.0104 | |
| 317 | W | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | R | A | -3.1614 | |
| 320 | E | A | -2.7716 | |
| 321 | F | A | 0.0000 | |
| 322 | D | A | -2.6719 | |
| 323 | I | A | 0.0000 | |
| 324 | D | A | 0.0000 | |
| 325 | A | A | 0.0000 | |
| 326 | W | A | 0.0000 | |
| 327 | R | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | D | A | 0.0000 | |
| 330 | V | A | -0.2594 | |
| 331 | A | A | 0.0000 | |
| 332 | N | A | -1.4319 | |
| 333 | E | A | -2.1829 | |
| 334 | V | A | 0.0000 | |
| 335 | D | A | -1.9082 | |
| 336 | H | A | -1.9402 | |
| 337 | A | A | -1.3284 | |
| 338 | F | A | 0.0000 | |
| 339 | W | A | 0.0000 | |
| 340 | K | A | -3.3819 | |
| 341 | K | A | -3.0908 | |
| 342 | F | A | 0.0000 | |
| 343 | R | A | -2.4189 | |
| 344 | Q | A | -2.7661 | |
| 345 | A | A | -1.6629 | |
| 346 | V | A | 0.0000 | |
| 347 | T | A | -1.5831 | |
| 348 | A | A | -1.3782 | |
| 349 | E | A | -2.3263 | |
| 350 | K | A | -2.2068 | |
| 351 | P | A | -1.8406 | |
| 352 | D | A | -2.5146 | |
| 353 | I | A | 0.0000 | |
| 354 | Y | A | 0.0000 | |
| 355 | I | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | E | A | 0.0000 | |
| 359 | I | A | 0.0000 | |
| 360 | W | A | 0.0486 | |
| 361 | H | A | -0.8405 | |
| 362 | Q | A | -1.2855 | |
| 363 | A | A | 0.0000 | |
| 364 | W | A | -0.4427 | |
| 365 | S | A | -0.7004 | |
| 366 | W | A | -0.9603 | |
| 367 | L | A | 0.0000 | |
| 368 | Q | A | -1.8467 | |
| 369 | G | A | -2.3744 | |
| 370 | D | A | -3.5832 | |
| 371 | E | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | H | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | V | A | 0.0000 | |
| 376 | M | A | 0.0000 | |
| 377 | N | A | 0.0000 | |
| 378 | Y | A | 0.0000 | |
| 379 | A | A | -0.6468 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | E | A | -0.9631 | |
| 383 | A | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | D | A | -1.3412 | |
| 387 | Y | A | 0.0000 | |
| 388 | F | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | D | A | -1.8938 | |
| 391 | G | A | -1.3141 | |
| 392 | S | A | -0.9288 | |
| 393 | I | A | -0.7287 | |
| 394 | S | A | -1.1434 | |
| 395 | A | A | 0.0000 | |
| 396 | S | A | -1.1533 | |
| 397 | Q | A | -1.2130 | |
| 398 | M | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | -1.0001 | |
| 401 | R | A | -1.5711 | |
| 402 | I | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | S | A | -0.6938 | |
| 405 | H | A | -0.6950 | |
| 406 | L | A | 0.0000 | |
| 407 | M | A | 0.0000 | |
| 408 | S | A | -0.3142 | |
| 409 | Y | A | 0.0000 | |
| 410 | M | A | 0.0000 | |
| 411 | K | A | -0.1789 | |
| 412 | Q | A | 0.0000 | |
| 413 | V | A | 0.0000 | |
| 414 | N | A | 0.0000 | |
| 415 | E | A | 0.0000 | |
| 416 | V | A | 0.0000 | |
| 417 | M | A | 0.0000 | |
| 418 | F | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | L | A | 0.0000 | |
| 421 | L | A | 0.0000 | |
| 422 | D | A | 0.0000 | |
| 423 | S | A | 0.0000 | |
| 424 | H | A | 0.0000 | |
| 425 | D | A | -1.9539 | |
| 426 | T | A | -1.3505 | |
| 427 | A | A | -1.3190 | |
| 428 | R | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | T | A | -1.3444 | |
| 432 | R | A | -1.5483 | |
| 433 | C | A | 0.0000 | |
| 434 | G | A | -1.4296 | |
| 435 | G | A | -1.5289 | |
| 436 | D | A | -1.8088 | |
| 437 | K | A | -2.4361 | |
| 438 | K | A | -2.7558 | |
| 439 | K | A | -2.1450 | |
| 440 | V | A | 0.0000 | |
| 441 | R | A | -1.6916 | |
| 442 | S | A | 0.0000 | |
| 443 | L | A | 0.0000 | |
| 444 | L | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | F | A | 0.0000 | |
| 447 | M | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | A | A | 0.0000 | |
| 450 | Q | A | 0.0000 | |
| 451 | P | A | 0.0000 | |
| 452 | G | A | 0.0000 | |
| 453 | S | A | 0.0000 | |
| 454 | P | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | Y | A | 0.0000 | |
| 458 | Y | A | 0.0000 | |
| 459 | G | A | 0.0000 | |
| 460 | T | A | 0.0000 | |
| 461 | E | A | 0.0000 | |
| 462 | I | A | 0.0000 | |
| 463 | G | A | -1.1525 | |
| 464 | L | A | -1.0461 | |
| 465 | D | A | -2.0876 | |
| 466 | G | A | 0.0000 | |
| 467 | G | A | -1.2700 | |
| 468 | P | A | -1.5476 | |
| 469 | D | A | -2.2266 | |
| 470 | P | A | -2.0441 | |
| 471 | D | A | -2.0509 | |
| 472 | C | A | 0.0000 | |
| 473 | R | A | -1.5877 | |
| 474 | K | A | -1.6826 | |
| 475 | C | A | 0.0000 | |
| 476 | M | A | 0.0000 | |
| 477 | V | A | -0.8469 | |
| 478 | W | A | -1.1879 | |
| 479 | E | A | -2.8370 | |
| 480 | E | A | -3.8514 | |
| 481 | E | A | -3.9700 | |
| 482 | K | A | -3.6309 | |
| 483 | Q | A | -2.8582 | |
| 484 | N | A | -2.2490 | |
| 485 | Q | A | -2.5473 | |
| 486 | E | A | -2.2978 | |
| 487 | M | A | 0.0000 | |
| 488 | L | A | -0.9898 | |
| 489 | A | A | -1.0651 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | K | A | -1.1521 | |
| 493 | R | A | -0.8866 | |
| 494 | L | A | 0.0000 | |
| 495 | I | A | 0.0000 | |
| 496 | A | A | -0.9679 | |
| 497 | L | A | 0.0000 | |
| 498 | R | A | 0.0000 | |
| 499 | K | A | -1.5870 | |
| 500 | Q | A | -1.7749 | |
| 501 | Y | A | 0.0000 | |
| 502 | N | A | -1.3329 | |
| 503 | D | A | -1.6902 | |
| 504 | V | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | -0.2615 | |
| 508 | G | A | 0.0000 | |
| 509 | A | A | -0.1049 | |
| 510 | L | A | -0.3370 | |
| 511 | E | A | -1.4957 | |
| 512 | W | A | -1.1036 | |
| 513 | K | A | -1.8666 | |
| 514 | E | A | -2.2975 | |
| 515 | V | A | -1.3810 | |
| 516 | D | A | -2.1524 | |
| 517 | D | A | -2.9654 | |
| 518 | Q | A | -2.5180 | |
| 519 | N | A | -2.1348 | |
| 520 | N | A | -2.0841 | |
| 521 | F | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | S | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | R | A | 0.0000 | |
| 527 | T | A | -1.1396 | |
| 528 | H | A | -1.5868 | |
| 529 | E | A | -2.3269 | |
| 530 | G | A | -1.5514 | |
| 531 | K | A | -1.5145 | |
| 532 | E | A | -0.7595 | |
| 533 | L | A | 0.0000 | |
| 534 | I | A | 0.0000 | |
| 535 | F | A | 0.0000 | |
| 536 | F | A | 0.0000 | |
| 537 | F | A | 0.0000 | |
| 538 | N | A | 0.0000 | |
| 539 | Q | A | -1.3333 | |
| 540 | G | A | -1.6843 | |
| 541 | S | A | -1.3250 | |
| 542 | E | A | -1.9238 | |
| 543 | V | A | -0.6542 | |
| 544 | R | A | -1.5920 | |
| 545 | R | A | -2.1048 | |
| 546 | V | A | -1.3749 | |
| 547 | R | A | -2.2540 | |
| 548 | L | A | 0.0000 | |
| 549 | R | A | -3.6912 | |
| 550 | D | A | -2.6954 | |
| 551 | L | A | 0.0000 | |
| 552 | K | A | -2.8732 | |
| 553 | I | A | -2.6759 | |
| 554 | E | A | -3.2971 | |
| 555 | S | A | -2.9297 | |
| 556 | D | A | -2.9598 | |
| 557 | K | A | -2.5967 | |
| 558 | R | A | -2.5247 | |
| 559 | I | A | 0.0000 | |
| 560 | Y | A | 0.0000 | |
| 561 | D | A | -1.4132 | |
| 562 | A | A | 0.0000 | |
| 563 | W | A | -0.7632 | |
| 564 | T | A | -1.6423 | |
| 565 | E | A | -2.8024 | |
| 566 | E | A | -2.8359 | |
| 567 | P | A | -2.0267 | |
| 568 | L | A | -1.6847 | |
| 569 | H | A | -2.1848 | |
| 570 | H | A | -3.1130 | |
| 571 | D | A | -3.0656 | |
| 572 | D | A | -1.9496 | |
| 573 | V | A | -0.9732 | |
| 574 | V | A | -0.6428 | |
| 575 | D | A | -1.1384 | |
| 576 | I | A | 0.0000 | |
| 577 | Q | A | -1.6387 | |
| 578 | P | A | -1.5838 | |
| 579 | K | A | -1.9779 | |
| 580 | G | A | -1.0739 | |
| 581 | F | A | -0.4430 | |
| 582 | F | A | 0.1378 | |
| 583 | I | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | G | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | V | A | -0.6369 |
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 | -0.6248 | 4.8877 | View | CSV | PDB |
| 4.5 | -0.7098 | 4.7994 | View | CSV | PDB |
| 5.0 | -0.8124 | 4.6866 | View | CSV | PDB |
| 5.5 | -0.9162 | 4.5664 | View | CSV | PDB |
| 6.0 | -1.0047 | 4.4546 | View | CSV | PDB |
| 6.5 | -1.0669 | 4.4259 | View | CSV | PDB |
| 7.0 | -1.1021 | 4.4259 | View | CSV | PDB |
| 7.5 | -1.1183 | 4.4259 | View | CSV | PDB |
| 8.0 | -1.1219 | 4.4259 | View | CSV | PDB |
| 8.5 | -1.114 | 4.4259 | View | CSV | PDB |
| 9.0 | -1.0928 | 4.4259 | 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