| Chain sequence(s) |
A: MMEYAAIHHQPFSSDAYLYDGRTVHIRIRTKKDDVEHVYLVWGDPYEYTGGTWKANELPMEKIASTDTHDYWFAEVTPPFRRLQYGFILTGADDRDTFYGSNGACPFAGKAADIGKHCFKFPFVHEADTFKVPDWVKSTVWYQIFPERFANGRPDLSPENALPWGSKDPDRTDFFGGDLQGIIDHLDYLEDLGINGIYLTPIFKAPSNHKYDTIDYMSIDPHFGDKETFRKLVEEIHERGMKIMLDAVFNHIGYQSPQWQDVVKNGEQSRYKDWFHIHSFPVKEGSYDTFAFTPEMPKLNTANPEVQKYLLDIALYWIREFDIDAWRLDVANEVDHHFWKKFYQAVTAEKPDIYILGEIWHDAQSWLQGDQFHAVMNYAFTEAIIDYFADGSISASQMVSRINSHLMSYMKQVNEVMFNLLDSHDTARILTRCGGDKDKVKALLAFMFAQPGTPCIYYGTEIGLDGGPDPDCRKCMVWEEEKQNQEMLAFMKRLIALRKQYNDVLTYGKLEWKEVDDDNNFVCFSRTYEGKELIFFFNQGTETRRVRLRDLNIESDKKIYDAWTEQPLHHDDVVDIQPKGFFILGAV
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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c3a7f37dcde311e/tmp/folded.pdb (00:09:54)
[INFO] Main: Simulation completed successfully. (00:13:38)
|
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 | 0.1201 | |
| 2 | M | A | 0.0000 | |
| 3 | E | A | -1.1164 | |
| 4 | Y | A | -0.2721 | |
| 5 | A | A | -0.4077 | |
| 6 | A | A | 0.0000 | |
| 7 | I | A | 0.0000 | |
| 8 | H | A | -1.1411 | |
| 9 | H | A | 0.0000 | |
| 10 | Q | A | -0.9567 | |
| 11 | P | A | 0.0829 | |
| 12 | F | A | 1.2179 | |
| 13 | S | A | 0.3598 | |
| 14 | S | A | -0.0803 | |
| 15 | D | A | 0.0000 | |
| 16 | A | A | 0.0000 | |
| 17 | Y | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | Y | A | -1.6565 | |
| 20 | D | A | -2.5969 | |
| 21 | G | A | 0.0000 | |
| 22 | R | A | -2.1856 | |
| 23 | T | A | -1.5517 | |
| 24 | V | 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 | -1.2251 | |
| 30 | T | A | 0.0000 | |
| 31 | K | A | -2.5301 | |
| 32 | K | A | -3.1588 | |
| 33 | D | A | -3.0229 | |
| 34 | D | A | -2.4337 | |
| 35 | V | A | 0.0000 | |
| 36 | E | A | -3.3258 | |
| 37 | H | A | -2.5362 | |
| 38 | V | A | 0.0000 | |
| 39 | Y | A | -0.4473 | |
| 40 | L | A | 0.0000 | |
| 41 | V | A | 0.0000 | |
| 42 | W | A | -0.9480 | |
| 43 | G | A | 0.0000 | |
| 44 | D | A | 0.0000 | |
| 45 | P | A | 0.0000 | |
| 46 | Y | A | 1.0231 | |
| 47 | E | A | 0.0442 | |
| 48 | Y | A | 0.4507 | |
| 49 | T | A | -0.3847 | |
| 50 | G | A | -0.6061 | |
| 51 | G | A | -0.6065 | |
| 52 | T | A | -0.9952 | |
| 53 | W | A | 0.0000 | |
| 54 | K | A | -1.6182 | |
| 55 | A | A | -1.6661 | |
| 56 | N | A | -2.3553 | |
| 57 | E | A | -2.1409 | |
| 58 | L | A | -1.1539 | |
| 59 | P | A | -1.2374 | |
| 60 | M | A | 0.0000 | |
| 61 | E | A | -2.6250 | |
| 62 | K | A | -2.8933 | |
| 63 | I | A | -1.3429 | |
| 64 | A | A | 0.0000 | |
| 65 | S | A | -1.3537 | |
| 66 | T | A | 0.0000 | |
| 67 | D | A | -2.4706 | |
| 68 | T | A | -1.8581 | |
| 69 | H | A | -1.9061 | |
| 70 | D | A | 0.0000 | |
| 71 | Y | A | -0.9934 | |
| 72 | W | A | 0.0000 | |
| 73 | F | A | -1.1012 | |
| 74 | A | A | 0.0000 | |
| 75 | E | A | -1.5938 | |
| 76 | V | A | 0.0000 | |
| 77 | T | A | -0.6935 | |
| 78 | P | A | 0.0000 | |
| 79 | P | A | 0.2783 | |
| 80 | F | A | 1.5146 | |
| 81 | R | A | 0.2352 | |
| 82 | R | A | 0.1673 | |
| 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 | -2.3169 | |
| 91 | G | A | 0.0000 | |
| 92 | A | A | -2.0835 | |
| 93 | D | A | -2.2148 | |
| 94 | D | A | -3.4479 | |
| 95 | R | A | -3.1652 | |
| 96 | D | A | -2.3577 | |
| 97 | T | A | 0.0000 | |
| 98 | F | A | 0.0000 | |
| 99 | Y | A | -0.2660 | |
| 100 | G | A | 0.0000 | |
| 101 | S | A | -1.5604 | |
| 102 | N | A | -1.6696 | |
| 103 | G | A | -0.8083 | |
| 104 | A | A | -0.2700 | |
| 105 | C | A | 0.1964 | |
| 106 | P | A | -0.4371 | |
| 107 | F | A | -0.8592 | |
| 108 | A | A | -1.0725 | |
| 109 | G | A | -1.5873 | |
| 110 | K | A | -2.3623 | |
| 111 | A | A | -1.8229 | |
| 112 | A | A | -1.9686 | |
| 113 | D | A | -2.7324 | |
| 114 | I | A | 0.0000 | |
| 115 | G | A | -2.0033 | |
| 116 | K | A | -2.5880 | |
| 117 | H | A | -2.0566 | |
| 118 | C | A | -1.3571 | |
| 119 | F | A | 0.0000 | |
| 120 | K | A | -1.0842 | |
| 121 | F | A | 0.0000 | |
| 122 | P | A | -0.1919 | |
| 123 | F | A | 0.6720 | |
| 124 | V | A | 0.0000 | |
| 125 | H | A | -2.0803 | |
| 126 | E | A | -3.1727 | |
| 127 | A | A | -2.1704 | |
| 128 | D | A | -2.7487 | |
| 129 | T | A | -2.7219 | |
| 130 | F | A | 0.0000 | |
| 131 | K | A | -2.8820 | |
| 132 | V | A | -1.4645 | |
| 133 | P | A | 0.0000 | |
| 134 | D | A | -2.2380 | |
| 135 | W | A | -1.0825 | |
| 136 | V | A | 0.0000 | |
| 137 | K | A | -0.9168 | |
| 138 | S | A | -1.0094 | |
| 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 | -1.2350 | |
| 152 | G | A | -1.4441 | |
| 153 | R | A | -1.6671 | |
| 154 | P | A | -1.6072 | |
| 155 | D | A | -2.3373 | |
| 156 | L | A | -1.3311 | |
| 157 | S | A | -1.4667 | |
| 158 | P | A | 0.0000 | |
| 159 | E | A | -2.5441 | |
| 160 | N | A | -2.0942 | |
| 161 | A | A | -0.9585 | |
| 162 | L | A | -0.4926 | |
| 163 | P | A | -0.3541 | |
| 164 | W | A | -0.1734 | |
| 165 | G | A | -1.1376 | |
| 166 | S | A | -1.2545 | |
| 167 | K | A | -2.5954 | |
| 168 | D | A | -3.2254 | |
| 169 | P | A | 0.0000 | |
| 170 | D | A | -3.5693 | |
| 171 | R | A | -3.0032 | |
| 172 | T | A | -1.6271 | |
| 173 | D | A | -1.7713 | |
| 174 | F | A | -0.8208 | |
| 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 | -1.1217 | |
| 181 | G | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | I | A | -1.5878 | |
| 184 | D | A | -2.3320 | |
| 185 | H | A | -1.9985 | |
| 186 | L | A | 0.0000 | |
| 187 | D | A | -3.2072 | |
| 188 | Y | A | -2.0976 | |
| 189 | L | A | 0.0000 | |
| 190 | E | A | -3.0941 | |
| 191 | D | A | -3.0744 | |
| 192 | L | A | 0.0000 | |
| 193 | G | A | -1.7656 | |
| 194 | I | A | 0.0000 | |
| 195 | N | A | -0.8478 | |
| 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 | -0.9611 | |
| 205 | A | A | 0.0000 | |
| 206 | P | A | -0.4015 | |
| 207 | S | A | -0.4651 | |
| 208 | N | A | 0.0000 | |
| 209 | H | A | -0.4883 | |
| 210 | K | A | 0.0000 | |
| 211 | Y | A | 0.0212 | |
| 212 | D | A | 0.0000 | |
| 213 | T | A | 0.0000 | |
| 214 | I | A | -0.4302 | |
| 215 | D | A | -0.8514 | |
| 216 | Y | A | 0.0000 | |
| 217 | M | A | -0.2509 | |
| 218 | S | A | -0.8912 | |
| 219 | I | A | 0.0000 | |
| 220 | D | A | 0.0000 | |
| 221 | P | A | -0.9817 | |
| 222 | H | A | -1.0101 | |
| 223 | F | A | 0.0000 | |
| 224 | G | A | -1.6465 | |
| 225 | D | A | -2.9533 | |
| 226 | K | A | -3.0751 | |
| 227 | E | A | -3.2225 | |
| 228 | T | A | -2.4644 | |
| 229 | F | A | 0.0000 | |
| 230 | R | A | -3.0087 | |
| 231 | K | A | -2.6148 | |
| 232 | L | A | 0.0000 | |
| 233 | V | A | 0.0000 | |
| 234 | E | A | -3.5268 | |
| 235 | E | A | -3.0861 | |
| 236 | I | A | 0.0000 | |
| 237 | H | A | -2.8100 | |
| 238 | E | A | -3.1213 | |
| 239 | R | A | -2.6802 | |
| 240 | G | A | -1.9534 | |
| 241 | M | A | 0.0000 | |
| 242 | K | A | -1.0530 | |
| 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 | Y | A | -0.2211 | |
| 255 | Q | A | -0.8707 | |
| 256 | S | A | 0.0000 | |
| 257 | P | A | -0.7056 | |
| 258 | Q | A | -0.8514 | |
| 259 | W | A | 0.0000 | |
| 260 | Q | A | -1.3094 | |
| 261 | D | A | -2.1332 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | -0.7979 | |
| 264 | K | A | -2.1674 | |
| 265 | N | A | -2.5028 | |
| 266 | G | A | -2.1436 | |
| 267 | E | A | -3.0687 | |
| 268 | Q | A | -3.0661 | |
| 269 | S | A | 0.0000 | |
| 270 | R | A | -2.8898 | |
| 271 | Y | A | -2.3553 | |
| 272 | K | A | -2.4923 | |
| 273 | D | A | -2.3546 | |
| 274 | W | A | 0.0000 | |
| 275 | F | A | 0.0000 | |
| 276 | H | A | -1.3973 | |
| 277 | I | A | -1.4081 | |
| 278 | H | A | -1.3824 | |
| 279 | S | A | -1.0467 | |
| 280 | F | A | -0.5266 | |
| 281 | P | A | -1.0461 | |
| 282 | V | A | -1.3697 | |
| 283 | K | A | -2.5939 | |
| 284 | E | A | -2.8972 | |
| 285 | G | A | -1.8428 | |
| 286 | S | A | -1.8402 | |
| 287 | Y | A | 0.0000 | |
| 288 | D | A | -0.9856 | |
| 289 | T | A | -0.1333 | |
| 290 | F | A | 0.6095 | |
| 291 | A | A | 1.1747 | |
| 292 | F | A | 1.6323 | |
| 293 | T | A | 0.3913 | |
| 294 | P | A | -0.7733 | |
| 295 | E | A | -0.8498 | |
| 296 | M | A | -0.0197 | |
| 297 | P | A | 0.0000 | |
| 298 | K | A | -0.6246 | |
| 299 | L | A | 0.0000 | |
| 300 | N | A | -1.1519 | |
| 301 | T | A | 0.0000 | |
| 302 | A | A | -0.9400 | |
| 303 | N | A | -1.3681 | |
| 304 | P | A | -1.7352 | |
| 305 | E | A | -2.6059 | |
| 306 | V | A | 0.0000 | |
| 307 | Q | A | 0.0000 | |
| 308 | K | A | -2.5161 | |
| 309 | Y | A | -1.2164 | |
| 310 | L | A | 0.0000 | |
| 311 | L | A | -0.9233 | |
| 312 | D | A | -0.7345 | |
| 313 | I | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | L | A | -1.0703 | |
| 316 | Y | A | -1.0588 | |
| 317 | W | A | 0.0000 | |
| 318 | I | A | 0.0000 | |
| 319 | R | A | -3.2724 | |
| 320 | E | A | -2.9992 | |
| 321 | F | A | 0.0000 | |
| 322 | D | A | -3.0513 | |
| 323 | I | A | 0.0000 | |
| 324 | D | A | -1.0948 | |
| 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 | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | N | A | -1.5167 | |
| 333 | E | A | -2.0045 | |
| 334 | V | A | 0.0000 | |
| 335 | D | A | -1.9279 | |
| 336 | H | A | -2.1303 | |
| 337 | H | A | -2.2033 | |
| 338 | F | A | 0.0000 | |
| 339 | W | A | 0.0000 | |
| 340 | K | A | -2.8963 | |
| 341 | K | A | -2.8654 | |
| 342 | F | A | 0.0000 | |
| 343 | Y | A | -1.4408 | |
| 344 | Q | A | -2.2175 | |
| 345 | A | A | -1.4539 | |
| 346 | V | A | 0.0000 | |
| 347 | T | A | -1.4053 | |
| 348 | A | A | -1.2397 | |
| 349 | E | A | -2.1441 | |
| 350 | K | A | -2.1568 | |
| 351 | P | A | -1.7847 | |
| 352 | D | A | -2.5541 | |
| 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 | -0.3843 | |
| 359 | I | A | 0.0000 | |
| 360 | W | A | -0.1655 | |
| 361 | H | A | -1.2460 | |
| 362 | D | A | -1.8139 | |
| 363 | A | A | 0.0000 | |
| 364 | Q | A | -1.1622 | |
| 365 | S | A | -0.9537 | |
| 366 | W | A | -0.9168 | |
| 367 | L | A | 0.0000 | |
| 368 | Q | A | -1.3844 | |
| 369 | G | A | -1.6133 | |
| 370 | D | A | -2.0783 | |
| 371 | Q | 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 | -0.7331 | |
| 380 | F | A | 0.0000 | |
| 381 | T | A | 0.0000 | |
| 382 | E | A | -1.0097 | |
| 383 | A | A | 0.0000 | |
| 384 | I | A | 0.0000 | |
| 385 | I | A | 0.0000 | |
| 386 | D | A | -1.5936 | |
| 387 | Y | A | 0.0000 | |
| 388 | F | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | D | A | -2.3799 | |
| 391 | G | A | -1.5569 | |
| 392 | S | A | -1.1169 | |
| 393 | I | A | -0.8542 | |
| 394 | S | A | -1.2306 | |
| 395 | A | A | 0.0000 | |
| 396 | S | A | -1.3329 | |
| 397 | Q | A | -1.5218 | |
| 398 | M | A | 0.0000 | |
| 399 | V | A | 0.0000 | |
| 400 | S | A | 0.0000 | |
| 401 | R | A | -1.7022 | |
| 402 | I | A | 0.0000 | |
| 403 | N | A | 0.0000 | |
| 404 | S | A | -0.7849 | |
| 405 | H | A | -0.6441 | |
| 406 | L | A | 0.0000 | |
| 407 | M | A | -0.1316 | |
| 408 | S | A | -0.3573 | |
| 409 | Y | A | 0.0000 | |
| 410 | M | A | 0.0000 | |
| 411 | K | A | -0.1548 | |
| 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 | -1.7462 | |
| 426 | T | A | -1.1364 | |
| 427 | A | A | -1.0243 | |
| 428 | R | A | 0.0000 | |
| 429 | I | A | 0.0000 | |
| 430 | L | A | 0.0000 | |
| 431 | T | A | -1.1252 | |
| 432 | R | A | -1.5786 | |
| 433 | C | A | 0.0000 | |
| 434 | G | A | -1.4079 | |
| 435 | G | A | -1.3022 | |
| 436 | D | A | -1.6630 | |
| 437 | K | A | -2.1981 | |
| 438 | D | A | -2.2884 | |
| 439 | K | A | -1.9442 | |
| 440 | V | A | 0.0000 | |
| 441 | K | A | -1.4728 | |
| 442 | A | 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 | T | 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 | -0.9937 | |
| 464 | L | A | -0.7108 | |
| 465 | D | A | -1.4279 | |
| 466 | G | A | 0.0000 | |
| 467 | G | A | -0.9268 | |
| 468 | P | A | -1.1036 | |
| 469 | D | A | -1.8591 | |
| 470 | P | A | -2.3844 | |
| 471 | D | A | -2.1968 | |
| 472 | C | A | 0.0000 | |
| 473 | R | A | -1.7407 | |
| 474 | K | A | -1.6639 | |
| 475 | C | A | 0.0000 | |
| 476 | M | A | 0.0000 | |
| 477 | V | A | -0.8777 | |
| 478 | W | A | -1.2896 | |
| 479 | E | A | -3.0874 | |
| 480 | E | A | -3.9557 | |
| 481 | E | A | -4.0347 | |
| 482 | K | A | -3.6899 | |
| 483 | Q | A | -2.8721 | |
| 484 | N | A | -2.1989 | |
| 485 | Q | A | -2.4653 | |
| 486 | E | A | -2.3114 | |
| 487 | M | A | 0.0000 | |
| 488 | L | A | -1.0029 | |
| 489 | A | A | -1.0940 | |
| 490 | F | A | 0.0000 | |
| 491 | M | A | 0.0000 | |
| 492 | K | A | -1.3016 | |
| 493 | R | A | -0.8381 | |
| 494 | L | A | 0.0000 | |
| 495 | I | A | 0.0000 | |
| 496 | A | A | -0.8920 | |
| 497 | L | A | -0.7235 | |
| 498 | R | A | 0.0000 | |
| 499 | K | A | -1.5240 | |
| 500 | Q | A | -1.6646 | |
| 501 | Y | A | -1.1315 | |
| 502 | N | A | -1.2607 | |
| 503 | D | A | -1.5464 | |
| 504 | V | A | 0.0000 | |
| 505 | L | A | 0.0000 | |
| 506 | T | A | 0.0000 | |
| 507 | Y | A | -0.2985 | |
| 508 | G | A | 0.0000 | |
| 509 | K | A | -0.7827 | |
| 510 | L | A | -0.8353 | |
| 511 | E | A | -2.0272 | |
| 512 | W | A | -1.2020 | |
| 513 | K | A | -1.7265 | |
| 514 | E | A | -1.5883 | |
| 515 | V | A | -1.1397 | |
| 516 | D | A | -2.3389 | |
| 517 | D | A | -3.3042 | |
| 518 | D | A | -3.4256 | |
| 519 | N | A | -3.3127 | |
| 520 | N | A | -2.5416 | |
| 521 | F | A | 0.0000 | |
| 522 | V | A | 0.0000 | |
| 523 | C | A | 0.0000 | |
| 524 | F | A | 0.0000 | |
| 525 | S | A | 0.0000 | |
| 526 | R | A | 0.0000 | |
| 527 | T | A | -1.1565 | |
| 528 | Y | A | -1.1783 | |
| 529 | E | A | -2.0017 | |
| 530 | G | A | -1.2723 | |
| 531 | K | A | -0.9559 | |
| 532 | E | A | -0.5820 | |
| 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 | -1.6061 | |
| 540 | G | A | -2.2601 | |
| 541 | T | A | -1.7176 | |
| 542 | E | A | -2.8596 | |
| 543 | T | A | -2.6103 | |
| 544 | R | A | -2.7798 | |
| 545 | R | A | -2.9556 | |
| 546 | V | A | 0.0000 | |
| 547 | R | A | -3.4332 | |
| 548 | L | A | 0.0000 | |
| 549 | R | A | -4.3988 | |
| 550 | D | A | -3.5248 | |
| 551 | L | A | 0.0000 | |
| 552 | N | A | -2.7482 | |
| 553 | I | A | -2.6573 | |
| 554 | E | A | -3.1940 | |
| 555 | S | A | -2.9191 | |
| 556 | D | A | -2.9062 | |
| 557 | K | A | -2.4556 | |
| 558 | K | A | -2.2587 | |
| 559 | I | A | 0.0000 | |
| 560 | Y | A | -1.2102 | |
| 561 | D | A | -1.1388 | |
| 562 | A | A | 0.0000 | |
| 563 | W | A | -0.5948 | |
| 564 | T | A | -1.4007 | |
| 565 | E | A | -2.4574 | |
| 566 | Q | A | -2.1739 | |
| 567 | P | A | -1.6759 | |
| 568 | L | A | -1.4292 | |
| 569 | H | A | -2.1125 | |
| 570 | H | A | -3.2563 | |
| 571 | D | A | -3.1709 | |
| 572 | D | A | -2.0981 | |
| 573 | V | A | -1.4450 | |
| 574 | V | A | -1.2100 | |
| 575 | D | A | -2.1026 | |
| 576 | I | A | 0.0000 | |
| 577 | Q | A | -2.4305 | |
| 578 | P | A | -2.0922 | |
| 579 | K | A | -2.1140 | |
| 580 | G | A | -1.1998 | |
| 581 | F | A | -0.3998 | |
| 582 | F | A | 0.0748 | |
| 583 | I | A | 0.0000 | |
| 584 | L | A | 0.0000 | |
| 585 | G | A | 0.0000 | |
| 586 | A | A | 0.0000 | |
| 587 | V | A | -0.1427 |
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 | -0.6186 | 4.9066 | View | CSV | PDB |
| 4.5 | -0.7077 | 4.8328 | View | CSV | PDB |
| 5.0 | -0.8158 | 4.7371 | View | CSV | PDB |
| 5.5 | -0.9266 | 4.6338 | View | CSV | PDB |
| 6.0 | -1.0237 | 4.536 | View | CSV | PDB |
| 6.5 | -1.0948 | 4.4567 | View | CSV | PDB |
| 7.0 | -1.1383 | 4.4093 | View | CSV | PDB |
| 7.5 | -1.1617 | 4.4093 | View | CSV | PDB |
| 8.0 | -1.1718 | 4.4093 | View | CSV | PDB |
| 8.5 | -1.1693 | 4.4093 | View | CSV | PDB |
| 9.0 | -1.1523 | 4.4093 | 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