| Chain sequence(s) |
A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAGSGSGHMHHHHHHSSGLVPRGSGMKETAAAKFERQHMDSPDLGTDDDDKAMADIGSHHHHHHGSMSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLTYGVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNFNSHNVYITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSVLSKDPNEKRDHMVLLEFVTAAGITHGMDELYKGGGGSGGGGSGGGGSDDDDKMIQQESRLKVADNSGARELLVIKVLGGSRVKFGYIGDIIVATVKQATPGGVVKKGDVVKAVVVRTKQGAHRADGSYIKFDENAAVLIKDDKSPQGTRIFGPVARELRDKDYMKIVSLAPEVL
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 (00:15:53)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4439f4dc763d837/tmp/folded.pdb (00:15:53)
[INFO] Main: Simulation completed successfully. (00:25:36)
|
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 | 0.2201 | |
| 2 | S | A | -1.4146 | |
| 3 | D | A | -2.3526 | |
| 4 | K | A | -2.9333 | |
| 5 | I | A | 0.0000 | |
| 6 | I | A | -0.4035 | |
| 7 | H | A | -1.0045 | |
| 8 | L | A | 0.0000 | |
| 9 | T | A | -1.6091 | |
| 10 | D | A | -2.1300 | |
| 11 | D | A | -2.6184 | |
| 12 | S | A | -1.8619 | |
| 13 | F | A | 0.0000 | |
| 14 | D | A | -2.5283 | |
| 15 | T | A | -1.8662 | |
| 16 | D | A | -1.8260 | |
| 17 | V | A | 0.0000 | |
| 18 | L | A | -2.0597 | |
| 19 | K | A | -3.0183 | |
| 20 | A | A | -2.3900 | |
| 21 | D | A | -2.7572 | |
| 22 | G | A | -2.2124 | |
| 23 | A | A | -1.5366 | |
| 24 | I | A | 0.0000 | |
| 25 | L | A | 0.0000 | |
| 26 | V | A | 0.0000 | |
| 27 | D | A | 0.0000 | |
| 28 | F | A | 0.0000 | |
| 29 | W | A | -0.3631 | |
| 30 | A | A | 0.0000 | |
| 31 | E | A | -1.0532 | |
| 32 | W | A | 0.1903 | |
| 33 | C | A | 0.0000 | |
| 34 | G | A | -0.8328 | |
| 35 | P | A | 0.0000 | |
| 36 | C | A | 0.0000 | |
| 37 | K | A | -1.6813 | |
| 38 | M | A | -0.6703 | |
| 39 | I | A | 0.0000 | |
| 40 | A | A | -0.7088 | |
| 41 | P | A | -0.8981 | |
| 42 | I | A | -1.1536 | |
| 43 | L | A | 0.0000 | |
| 44 | D | A | -2.0851 | |
| 45 | E | A | -3.2141 | |
| 46 | I | A | 0.0000 | |
| 47 | A | A | 0.0000 | |
| 48 | D | A | -3.4959 | |
| 49 | E | A | -3.5838 | |
| 50 | Y | A | 0.0000 | |
| 51 | Q | A | -3.2978 | |
| 52 | G | A | -2.2659 | |
| 53 | K | A | -2.5978 | |
| 54 | L | A | 0.0000 | |
| 55 | T | A | -1.2779 | |
| 56 | V | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | K | A | 0.0000 | |
| 59 | L | A | 0.0000 | |
| 60 | N | A | 0.0000 | |
| 61 | I | A | -1.1908 | |
| 62 | D | A | -2.2951 | |
| 63 | Q | A | -2.1540 | |
| 64 | N | A | 0.0000 | |
| 65 | P | A | -1.4389 | |
| 66 | G | A | -1.4228 | |
| 67 | T | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | P | A | -1.4974 | |
| 70 | K | A | -1.8529 | |
| 71 | Y | A | -0.9277 | |
| 72 | G | A | -1.4333 | |
| 73 | I | A | 0.0000 | |
| 74 | R | A | -1.8880 | |
| 75 | G | A | -0.9586 | |
| 76 | I | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | T | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | L | A | 0.0000 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | K | A | -1.8626 | |
| 84 | N | A | -2.7035 | |
| 85 | G | A | -2.4091 | |
| 86 | E | A | -2.0565 | |
| 87 | V | A | -0.2939 | |
| 88 | A | A | -0.4431 | |
| 89 | A | A | -0.2196 | |
| 90 | T | A | 0.3160 | |
| 91 | K | A | 0.3293 | |
| 92 | V | A | 1.1003 | |
| 93 | G | A | 0.4063 | |
| 94 | A | A | -0.1301 | |
| 95 | L | A | 0.0000 | |
| 96 | S | A | -0.7890 | |
| 97 | K | A | -1.6897 | |
| 98 | G | A | -1.6782 | |
| 99 | Q | A | -1.7302 | |
| 100 | L | A | 0.0000 | |
| 101 | K | A | -2.4310 | |
| 102 | E | A | -2.8539 | |
| 103 | F | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | D | A | -2.2509 | |
| 106 | A | A | -1.3989 | |
| 107 | N | A | -1.2270 | |
| 108 | L | A | 0.0000 | |
| 109 | A | A | -0.7914 | |
| 110 | G | A | -0.9215 | |
| 111 | S | A | -1.0088 | |
| 112 | G | A | -1.0248 | |
| 113 | S | A | -0.9215 | |
| 114 | G | A | -1.0175 | |
| 115 | H | A | -1.1796 | |
| 116 | M | A | -0.4343 | |
| 117 | H | A | -1.6194 | |
| 118 | H | A | -2.1523 | |
| 119 | H | A | -2.3265 | |
| 120 | H | A | -2.5767 | |
| 121 | H | A | -2.3710 | |
| 122 | H | A | -1.8771 | |
| 123 | S | A | -1.2508 | |
| 124 | S | A | -0.4353 | |
| 125 | G | A | 0.5017 | |
| 126 | L | A | 2.0751 | |
| 127 | V | A | 1.8034 | |
| 128 | P | A | 0.0166 | |
| 129 | R | A | -1.9124 | |
| 130 | G | A | -1.5917 | |
| 131 | S | A | -0.8772 | |
| 132 | G | A | -0.7481 | |
| 133 | M | A | -0.5662 | |
| 134 | K | A | -2.0986 | |
| 135 | E | A | -2.4312 | |
| 136 | T | A | -1.3291 | |
| 137 | A | A | -0.3563 | |
| 138 | A | A | -0.2978 | |
| 139 | A | A | -0.2711 | |
| 140 | K | A | -1.1327 | |
| 141 | F | A | -0.1531 | |
| 142 | E | A | -2.4629 | |
| 143 | R | A | -3.1563 | |
| 144 | Q | A | -2.8691 | |
| 145 | H | A | -1.8569 | |
| 146 | M | A | -0.5976 | |
| 147 | D | A | -1.6789 | |
| 148 | S | A | -1.4468 | |
| 149 | P | A | -1.3176 | |
| 150 | D | A | -1.3306 | |
| 151 | L | A | 0.3759 | |
| 152 | G | A | -0.4574 | |
| 153 | T | A | -1.2139 | |
| 154 | D | A | -3.1823 | |
| 155 | D | A | -3.9696 | |
| 156 | D | A | -4.3749 | |
| 157 | D | A | -3.9306 | |
| 158 | K | A | -2.7335 | |
| 159 | A | A | -0.8010 | |
| 160 | M | A | 0.6015 | |
| 161 | A | A | 0.1436 | |
| 162 | D | A | -0.7047 | |
| 163 | I | A | 0.8795 | |
| 164 | G | A | -0.4337 | |
| 165 | S | A | -1.0417 | |
| 166 | H | A | -1.8870 | |
| 167 | H | A | -2.5058 | |
| 168 | H | A | -2.6933 | |
| 169 | H | A | -2.7394 | |
| 170 | H | A | -2.5553 | |
| 171 | H | A | -2.3589 | |
| 172 | G | A | -2.0694 | |
| 173 | S | A | -1.1166 | |
| 174 | M | A | -1.2629 | |
| 175 | S | A | -1.3306 | |
| 176 | K | A | -2.0616 | |
| 177 | G | A | 0.0000 | |
| 178 | E | A | 0.0000 | |
| 179 | E | A | -1.9915 | |
| 180 | L | A | -0.7313 | |
| 181 | F | A | 0.0000 | |
| 182 | T | A | -0.3179 | |
| 183 | G | A | 0.1464 | |
| 184 | V | A | 0.8681 | |
| 185 | V | A | 0.0000 | |
| 186 | P | A | -1.1417 | |
| 187 | I | A | 0.0000 | |
| 188 | L | A | -1.4141 | |
| 189 | V | A | 0.0000 | |
| 190 | E | A | -2.5963 | |
| 191 | L | A | 0.0000 | |
| 192 | D | A | -3.5253 | |
| 193 | G | A | 0.0000 | |
| 194 | D | A | -2.5319 | |
| 195 | V | A | 0.0000 | |
| 196 | N | A | -2.0953 | |
| 197 | G | A | -1.5536 | |
| 198 | H | A | -1.9140 | |
| 199 | K | A | -2.7919 | |
| 200 | F | A | 0.0000 | |
| 201 | S | A | -2.0776 | |
| 202 | V | A | 0.0000 | |
| 203 | R | A | -2.3575 | |
| 204 | G | A | 0.0000 | |
| 205 | E | A | -2.6267 | |
| 206 | G | A | -1.8976 | |
| 207 | E | A | -1.9504 | |
| 208 | G | A | 0.0000 | |
| 209 | D | A | -0.9826 | |
| 210 | A | A | 0.0000 | |
| 211 | T | A | -1.0868 | |
| 212 | N | A | -1.8241 | |
| 213 | G | A | 0.0000 | |
| 214 | K | A | -1.5236 | |
| 215 | L | A | 0.0000 | |
| 216 | T | A | -1.0673 | |
| 217 | L | A | 0.0000 | |
| 218 | K | A | -1.6308 | |
| 219 | F | A | 0.0000 | |
| 220 | I | A | 0.0000 | |
| 221 | C | A | 0.0000 | |
| 222 | T | A | -1.1137 | |
| 223 | T | A | -1.5180 | |
| 224 | G | A | -1.7470 | |
| 225 | K | A | -2.3229 | |
| 226 | L | A | 0.0000 | |
| 227 | P | A | -1.1502 | |
| 228 | V | A | 0.0000 | |
| 229 | P | A | 0.0000 | |
| 230 | W | A | 0.0000 | |
| 231 | P | A | 0.0000 | |
| 232 | T | A | 0.0000 | |
| 233 | L | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | T | A | 0.0000 | |
| 236 | T | A | 0.0000 | |
| 237 | L | A | 0.0000 | |
| 238 | T | A | 0.0000 | |
| 239 | Y | A | 0.0000 | |
| 240 | G | A | 0.0000 | |
| 241 | V | A | 0.0000 | |
| 242 | Q | A | 0.0000 | |
| 243 | C | A | 0.0000 | |
| 244 | F | A | 0.0000 | |
| 245 | S | A | 0.0000 | |
| 246 | R | A | -2.0235 | |
| 247 | Y | A | 0.0000 | |
| 248 | P | A | -1.6071 | |
| 249 | D | A | -2.6870 | |
| 250 | H | A | -1.9432 | |
| 251 | M | A | 0.0000 | |
| 252 | K | A | -2.2199 | |
| 253 | R | A | -2.0123 | |
| 254 | H | A | 0.0000 | |
| 255 | D | A | 0.0000 | |
| 256 | F | A | 0.0000 | |
| 257 | F | A | 0.0000 | |
| 258 | K | A | 0.0000 | |
| 259 | S | A | -0.8615 | |
| 260 | A | A | 0.0000 | |
| 261 | M | A | 0.0000 | |
| 262 | P | A | -1.4457 | |
| 263 | E | A | -2.0886 | |
| 264 | G | A | 0.0000 | |
| 265 | Y | A | 0.0000 | |
| 266 | V | A | -0.6202 | |
| 267 | Q | A | 0.0000 | |
| 268 | E | A | -2.1192 | |
| 269 | R | A | 0.0000 | |
| 270 | T | A | -1.2235 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | -1.5111 | |
| 273 | F | A | 0.0000 | |
| 274 | K | A | -2.6922 | |
| 275 | D | A | -2.9848 | |
| 276 | D | A | -2.7125 | |
| 277 | G | A | 0.0000 | |
| 278 | T | A | -1.4882 | |
| 279 | Y | A | 0.0000 | |
| 280 | K | A | -2.3994 | |
| 281 | T | A | 0.0000 | |
| 282 | R | A | -2.7559 | |
| 283 | A | A | 0.0000 | |
| 284 | E | A | -1.8378 | |
| 285 | V | A | 0.0000 | |
| 286 | K | A | -1.5130 | |
| 287 | F | A | 0.0000 | |
| 288 | E | A | -1.8192 | |
| 289 | G | A | -1.7977 | |
| 290 | D | A | -2.1811 | |
| 291 | T | A | -1.5533 | |
| 292 | L | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | N | A | 0.0000 | |
| 295 | R | A | -2.6274 | |
| 296 | I | A | 0.0000 | |
| 297 | E | A | -3.8682 | |
| 298 | L | A | 0.0000 | |
| 299 | K | A | -2.8927 | |
| 300 | G | A | 0.0000 | |
| 301 | I | A | -1.3576 | |
| 302 | D | A | -2.3266 | |
| 303 | F | A | 0.0000 | |
| 304 | K | A | -3.9528 | |
| 305 | E | A | -3.9511 | |
| 306 | D | A | -3.5347 | |
| 307 | G | A | -2.8449 | |
| 308 | N | A | -2.1013 | |
| 309 | I | A | 0.0000 | |
| 310 | L | A | -2.0171 | |
| 311 | G | A | -2.2471 | |
| 312 | H | A | -1.9060 | |
| 313 | K | A | -2.3844 | |
| 314 | L | A | 0.0000 | |
| 315 | E | A | -1.6872 | |
| 316 | Y | A | -0.6716 | |
| 317 | N | A | -0.2720 | |
| 318 | F | A | 0.0000 | |
| 319 | N | A | -0.4572 | |
| 320 | S | A | -0.6056 | |
| 321 | H | A | -0.9994 | |
| 322 | N | A | -1.0941 | |
| 323 | V | A | 0.0000 | |
| 324 | Y | A | -0.2770 | |
| 325 | I | A | 0.0000 | |
| 326 | T | A | -0.7720 | |
| 327 | A | A | -1.4657 | |
| 328 | D | A | -2.2869 | |
| 329 | K | A | -3.2540 | |
| 330 | Q | A | -3.2037 | |
| 331 | K | A | -3.4581 | |
| 332 | N | A | -2.9559 | |
| 333 | G | A | 0.0000 | |
| 334 | I | A | 0.0000 | |
| 335 | K | A | -1.0117 | |
| 336 | A | A | 0.0000 | |
| 337 | N | A | -1.0805 | |
| 338 | F | A | 0.0000 | |
| 339 | K | A | -1.4419 | |
| 340 | I | A | 0.0000 | |
| 341 | R | A | -0.7093 | |
| 342 | H | A | 0.0000 | |
| 343 | N | A | -1.0788 | |
| 344 | V | A | 0.0000 | |
| 345 | E | A | -3.1926 | |
| 346 | D | A | -2.9469 | |
| 347 | G | A | -1.7667 | |
| 348 | S | A | -0.6576 | |
| 349 | V | A | 0.4409 | |
| 350 | Q | A | 0.0000 | |
| 351 | L | A | -0.9569 | |
| 352 | A | A | 0.0000 | |
| 353 | D | A | -1.9707 | |
| 354 | H | A | 0.0000 | |
| 355 | Y | A | -0.5750 | |
| 356 | Q | A | 0.0000 | |
| 357 | Q | A | -1.1735 | |
| 358 | N | A | 0.0000 | |
| 359 | T | A | -0.8080 | |
| 360 | P | A | -0.8326 | |
| 361 | I | A | -0.1321 | |
| 362 | G | A | -1.1655 | |
| 363 | D | A | -2.1419 | |
| 364 | G | A | -1.3841 | |
| 365 | P | A | -0.9100 | |
| 366 | V | A | -0.4751 | |
| 367 | L | A | -0.0281 | |
| 368 | L | A | -0.4451 | |
| 369 | P | A | 0.0000 | |
| 370 | D | A | -1.0533 | |
| 371 | N | A | -1.1500 | |
| 372 | H | A | 0.0000 | |
| 373 | Y | A | -0.0775 | |
| 374 | L | A | 0.0000 | |
| 375 | S | A | -0.5803 | |
| 376 | T | A | 0.0000 | |
| 377 | Q | A | -0.6332 | |
| 378 | S | A | 0.0000 | |
| 379 | V | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | S | A | -0.7839 | |
| 382 | K | A | -1.8118 | |
| 383 | D | A | -1.9404 | |
| 384 | P | A | -1.7362 | |
| 385 | N | A | -2.4180 | |
| 386 | E | A | -2.6678 | |
| 387 | K | A | -3.2909 | |
| 388 | R | A | -3.4365 | |
| 389 | D | A | -2.3214 | |
| 390 | H | A | 0.0000 | |
| 391 | M | A | 0.0000 | |
| 392 | V | A | -0.5151 | |
| 393 | L | A | 0.0000 | |
| 394 | L | A | 0.0828 | |
| 395 | E | A | 0.0000 | |
| 396 | F | A | -0.6350 | |
| 397 | V | A | 0.0000 | |
| 398 | T | A | -0.8460 | |
| 399 | A | A | 0.0000 | |
| 400 | A | A | -0.3734 | |
| 401 | G | A | -0.4589 | |
| 402 | I | A | -0.6354 | |
| 403 | T | A | -0.7391 | |
| 404 | H | A | -1.2951 | |
| 405 | G | A | -1.1794 | |
| 406 | M | A | -0.5176 | |
| 407 | D | A | -1.4097 | |
| 408 | E | A | -1.6815 | |
| 409 | L | A | 0.3651 | |
| 410 | Y | A | -0.1448 | |
| 411 | K | A | -1.8640 | |
| 412 | G | A | -1.3961 | |
| 413 | G | A | -1.3020 | |
| 414 | G | A | -1.2827 | |
| 415 | G | A | -1.0592 | |
| 416 | S | A | -0.9215 | |
| 417 | G | A | -1.0190 | |
| 418 | G | A | -1.0892 | |
| 419 | G | A | -1.0609 | |
| 420 | G | A | -0.9844 | |
| 421 | S | A | -0.9115 | |
| 422 | G | A | -0.9946 | |
| 423 | G | A | -1.0858 | |
| 424 | G | A | -1.3467 | |
| 425 | G | A | -1.6109 | |
| 426 | S | A | -2.1701 | |
| 427 | D | A | -3.8459 | |
| 428 | D | A | -4.1173 | |
| 429 | D | A | -3.2872 | |
| 430 | D | A | -3.1195 | |
| 431 | K | A | -2.9513 | |
| 432 | M | A | -0.8129 | |
| 433 | I | A | 0.0000 | |
| 434 | Q | A | -1.8876 | |
| 435 | Q | A | -2.3614 | |
| 436 | E | A | -2.3792 | |
| 437 | S | A | 0.0000 | |
| 438 | R | A | -2.7855 | |
| 439 | L | A | 0.0000 | |
| 440 | K | A | -2.6752 | |
| 441 | V | A | 0.0000 | |
| 442 | A | A | 0.0000 | |
| 443 | D | A | 0.0000 | |
| 444 | N | A | -1.1794 | |
| 445 | S | A | 0.0000 | |
| 446 | G | A | -1.1559 | |
| 447 | A | A | 0.0000 | |
| 448 | R | A | -3.2864 | |
| 449 | E | A | 0.0000 | |
| 450 | L | A | 0.0000 | |
| 451 | L | A | -1.3920 | |
| 452 | V | A | 0.0000 | |
| 453 | I | A | -0.6008 | |
| 454 | K | A | -1.5345 | |
| 455 | V | A | -0.8702 | |
| 456 | L | A | -0.2847 | |
| 457 | G | A | -0.8945 | |
| 458 | G | A | -1.2486 | |
| 459 | S | A | -1.4456 | |
| 460 | R | A | -2.2356 | |
| 461 | V | A | -1.4530 | |
| 462 | K | A | -2.1659 | |
| 463 | F | A | -0.5584 | |
| 464 | G | A | 0.0000 | |
| 465 | Y | A | 0.6990 | |
| 466 | I | A | 0.0000 | |
| 467 | G | A | 0.0000 | |
| 468 | D | A | 0.0598 | |
| 469 | I | A | -0.0728 | |
| 470 | I | A | 0.0000 | |
| 471 | V | A | 0.0000 | |
| 472 | A | A | 0.0000 | |
| 473 | T | A | -0.8990 | |
| 474 | V | A | 0.0000 | |
| 475 | K | A | -2.9264 | |
| 476 | Q | A | -3.2271 | |
| 477 | A | A | -2.5236 | |
| 478 | T | A | -1.3529 | |
| 479 | P | A | -0.9318 | |
| 480 | G | A | -0.5663 | |
| 481 | G | A | -0.3762 | |
| 482 | V | A | 0.9765 | |
| 483 | V | A | 0.0000 | |
| 484 | K | A | -2.9558 | |
| 485 | K | A | -3.6810 | |
| 486 | G | A | -2.1031 | |
| 487 | D | A | -1.6250 | |
| 488 | V | A | 0.6188 | |
| 489 | V | A | 0.0000 | |
| 490 | K | A | -1.4331 | |
| 491 | A | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | V | A | 0.0000 | |
| 494 | V | A | 0.0000 | |
| 495 | R | A | 0.0000 | |
| 496 | T | A | 0.0000 | |
| 497 | K | A | 0.0000 | |
| 498 | Q | A | -1.6856 | |
| 499 | G | A | 0.0000 | |
| 500 | A | A | -0.5629 | |
| 501 | H | A | -1.2821 | |
| 502 | R | A | -1.2018 | |
| 503 | A | A | -1.1736 | |
| 504 | D | A | -2.0967 | |
| 505 | G | A | -1.4126 | |
| 506 | S | A | -0.6967 | |
| 507 | Y | A | -0.1185 | |
| 508 | I | A | 0.0000 | |
| 509 | K | A | -1.8437 | |
| 510 | F | A | 0.0000 | |
| 511 | D | A | -2.8984 | |
| 512 | E | A | -2.7591 | |
| 513 | N | A | 0.0000 | |
| 514 | A | A | 0.0000 | |
| 515 | A | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | L | A | 0.0000 | |
| 518 | I | A | 0.0000 | |
| 519 | K | A | -3.7338 | |
| 520 | D | A | -3.9316 | |
| 521 | D | A | -3.5783 | |
| 522 | K | A | -3.3093 | |
| 523 | S | A | -2.4175 | |
| 524 | P | A | 0.0000 | |
| 525 | Q | A | -1.3646 | |
| 526 | G | A | 0.0000 | |
| 527 | T | A | -1.3316 | |
| 528 | R | A | -1.7254 | |
| 529 | I | A | 0.0000 | |
| 530 | F | A | 0.7698 | |
| 531 | G | A | 0.0304 | |
| 532 | P | A | -0.2105 | |
| 533 | V | A | 0.0000 | |
| 534 | A | A | 0.0000 | |
| 535 | R | A | -1.4292 | |
| 536 | E | A | -1.9921 | |
| 537 | L | A | 0.0000 | |
| 538 | R | A | -3.3988 | |
| 539 | D | A | -3.5437 | |
| 540 | K | A | -3.0581 | |
| 541 | D | A | -3.3026 | |
| 542 | Y | A | 0.0000 | |
| 543 | M | A | -1.4182 | |
| 544 | K | A | -1.7584 | |
| 545 | I | A | 0.0000 | |
| 546 | V | A | -0.9332 | |
| 547 | S | A | -0.8204 | |
| 548 | L | A | -0.4957 | |
| 549 | A | A | -0.5209 | |
| 550 | P | A | -0.7765 | |
| 551 | E | A | -1.1138 | |
| 552 | V | A | -0.3388 | |
| 553 | L | A | 0.3284 |
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 | -0.9602 | 2.9312 | View | CSV | PDB |
| 4.5 | -1.0434 | 2.906 | View | CSV | PDB |
| 5.0 | -1.14 | 2.8678 | View | CSV | PDB |
| 5.5 | -1.2315 | 2.8229 | View | CSV | PDB |
| 6.0 | -1.2979 | 2.7871 | View | CSV | PDB |
| 6.5 | -1.3286 | 2.7871 | View | CSV | PDB |
| 7.0 | -1.3306 | 2.7871 | View | CSV | PDB |
| 7.5 | -1.3174 | 2.7871 | View | CSV | PDB |
| 8.0 | -1.2953 | 2.7871 | View | CSV | PDB |
| 8.5 | -1.2628 | 2.7871 | View | CSV | PDB |
| 9.0 | -1.2158 | 2.7871 | 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