| Chain sequence(s) |
A: SEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAA
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] (00:00:11)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:11)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:11)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:11)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:13)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:14:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/920375b5d8914e2/tmp/folded.pdb (00:14:14)
[INFO] Main: Simulation completed successfully. (00:18:33)
|
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 |
|---|---|---|---|---|
| 5 | S | A | -2.2471 | |
| 6 | E | A | -2.0030 | |
| 7 | V | A | 0.0000 | |
| 8 | A | A | 0.0000 | |
| 9 | H | A | -2.5460 | |
| 10 | R | A | -2.3855 | |
| 11 | F | A | 0.0000 | |
| 12 | K | A | -3.4456 | |
| 13 | D | A | -3.2988 | |
| 14 | L | A | -2.5615 | |
| 15 | G | A | -2.9728 | |
| 16 | E | A | -3.8466 | |
| 17 | E | A | -3.2375 | |
| 18 | N | A | -2.3411 | |
| 19 | F | A | 0.0000 | |
| 20 | K | A | -2.4323 | |
| 21 | A | A | -1.3707 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 0.0000 | |
| 24 | L | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | F | A | 0.0000 | |
| 28 | A | A | 0.0000 | |
| 29 | Q | A | 0.0000 | |
| 30 | Y | A | 0.0000 | |
| 31 | L | A | 0.0000 | |
| 32 | Q | A | 0.0000 | |
| 33 | Q | A | -1.4128 | |
| 34 | C | A | 0.0000 | |
| 35 | P | A | -1.1234 | |
| 36 | F | A | -1.5955 | |
| 37 | E | A | -2.5854 | |
| 38 | D | A | -2.1236 | |
| 39 | H | A | 0.0000 | |
| 40 | V | A | -1.9229 | |
| 41 | K | A | -2.7378 | |
| 42 | L | A | 0.0000 | |
| 43 | V | A | 0.0000 | |
| 44 | N | A | -2.3378 | |
| 45 | E | A | -1.9288 | |
| 46 | V | A | 0.0000 | |
| 47 | T | A | 0.0000 | |
| 48 | E | A | -2.5978 | |
| 49 | F | A | -1.3941 | |
| 50 | A | A | 0.0000 | |
| 51 | K | A | -2.4315 | |
| 52 | T | A | -1.7311 | |
| 53 | C | A | 0.0000 | |
| 54 | V | A | -1.2658 | |
| 55 | A | A | -0.9837 | |
| 56 | D | A | -2.2953 | |
| 57 | E | A | -3.3495 | |
| 58 | S | A | -2.2896 | |
| 59 | A | A | -2.3060 | |
| 60 | E | A | -2.9646 | |
| 61 | N | A | -2.6270 | |
| 62 | C | A | 0.0000 | |
| 63 | D | A | -3.1764 | |
| 64 | K | A | -2.0779 | |
| 65 | S | A | -1.1565 | |
| 66 | L | A | 0.0000 | |
| 67 | H | A | -0.7390 | |
| 68 | T | A | -0.8668 | |
| 69 | L | A | -0.7885 | |
| 70 | F | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | D | A | -1.5235 | |
| 73 | K | A | -1.1713 | |
| 74 | L | A | 0.0000 | |
| 75 | C | A | -0.4264 | |
| 76 | T | A | -0.1608 | |
| 77 | V | A | -0.0071 | |
| 78 | A | A | 0.0000 | |
| 79 | T | A | -0.5959 | |
| 80 | L | A | -0.1717 | |
| 81 | R | A | -2.7320 | |
| 82 | E | A | -2.5547 | |
| 83 | T | A | -1.6067 | |
| 84 | Y | A | 0.0000 | |
| 85 | G | A | -2.4755 | |
| 86 | E | A | -2.8670 | |
| 87 | M | A | 0.0000 | |
| 88 | A | A | -1.8093 | |
| 89 | D | A | -2.7458 | |
| 90 | C | A | 0.0000 | |
| 91 | C | A | -1.5851 | |
| 92 | A | A | -1.7294 | |
| 93 | K | A | -3.1825 | |
| 94 | Q | A | -2.8944 | |
| 95 | E | A | -2.1176 | |
| 96 | P | A | -2.0083 | |
| 97 | E | A | -2.7980 | |
| 98 | R | A | 0.0000 | |
| 99 | N | A | 0.0000 | |
| 100 | E | A | -3.0610 | |
| 101 | C | A | -2.3504 | |
| 102 | F | A | 0.0000 | |
| 103 | L | A | 0.0000 | |
| 104 | Q | A | -2.0125 | |
| 105 | H | A | -1.7147 | |
| 106 | K | A | -1.2566 | |
| 107 | D | A | -2.1041 | |
| 108 | D | A | -1.8798 | |
| 109 | N | A | -2.2460 | |
| 110 | P | A | -1.8792 | |
| 111 | N | A | -2.1095 | |
| 112 | L | A | -1.2874 | |
| 113 | P | A | -0.7229 | |
| 114 | R | A | -1.1039 | |
| 115 | L | A | 0.9703 | |
| 116 | V | A | 1.2386 | |
| 117 | R | A | -0.2078 | |
| 118 | P | A | -0.8454 | |
| 119 | E | A | -1.8874 | |
| 120 | V | A | -1.2526 | |
| 121 | D | A | -1.8211 | |
| 122 | V | A | -0.5122 | |
| 123 | M | A | -0.8416 | |
| 124 | C | A | 0.0000 | |
| 125 | T | A | -1.1237 | |
| 126 | A | A | -1.1691 | |
| 127 | F | A | 0.0000 | |
| 128 | H | A | -2.4350 | |
| 129 | D | A | -2.9321 | |
| 130 | N | A | -2.6876 | |
| 131 | E | A | -2.7708 | |
| 132 | E | A | -2.8916 | |
| 133 | T | A | -1.7315 | |
| 134 | F | A | -1.6580 | |
| 135 | L | A | -1.3910 | |
| 136 | K | A | -1.3021 | |
| 137 | K | A | -1.4224 | |
| 138 | Y | A | -0.5511 | |
| 139 | L | A | 0.0000 | |
| 140 | Y | A | 0.0000 | |
| 141 | E | A | -0.1379 | |
| 142 | I | A | -0.1801 | |
| 143 | A | A | 0.0000 | |
| 144 | R | A | -0.7755 | |
| 145 | R | A | -1.1169 | |
| 146 | H | A | -0.8990 | |
| 147 | P | A | 0.0000 | |
| 148 | Y | A | -0.3849 | |
| 149 | F | A | 0.0000 | |
| 150 | Y | A | 0.0000 | |
| 151 | A | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | E | A | 0.0000 | |
| 154 | L | A | 0.0000 | |
| 155 | L | A | 0.0000 | |
| 156 | F | A | 0.0000 | |
| 157 | F | A | 0.0000 | |
| 158 | A | A | -0.7807 | |
| 159 | K | A | -1.4750 | |
| 160 | R | A | -1.2963 | |
| 161 | Y | A | 0.0000 | |
| 162 | K | A | -1.7089 | |
| 163 | A | A | -1.3592 | |
| 164 | A | A | 0.0000 | |
| 165 | F | A | 0.0000 | |
| 166 | T | A | -1.5972 | |
| 167 | E | A | -2.2772 | |
| 168 | C | A | 0.0000 | |
| 169 | C | A | -1.7608 | |
| 170 | Q | A | -1.9896 | |
| 171 | A | A | -1.6007 | |
| 172 | A | A | -1.1711 | |
| 173 | D | A | -2.0579 | |
| 174 | K | A | -1.7027 | |
| 175 | A | A | -0.7827 | |
| 176 | A | A | -0.2963 | |
| 177 | C | A | -0.6500 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | -0.0144 | |
| 180 | P | A | -1.2269 | |
| 181 | K | A | -2.2077 | |
| 182 | L | A | 0.0000 | |
| 183 | D | A | -3.9018 | |
| 184 | E | A | -4.0146 | |
| 185 | L | A | 0.0000 | |
| 186 | R | A | -4.4086 | |
| 187 | D | A | -4.5105 | |
| 188 | E | A | -3.2532 | |
| 189 | G | A | -2.5865 | |
| 190 | K | A | -2.4240 | |
| 191 | A | A | -1.6262 | |
| 192 | S | A | -1.1240 | |
| 193 | S | A | -0.8000 | |
| 194 | A | A | -0.8458 | |
| 195 | K | A | -1.0580 | |
| 196 | Q | A | 0.0000 | |
| 197 | R | A | -0.5952 | |
| 198 | L | A | 0.0000 | |
| 199 | K | A | -0.6230 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | -0.9173 | |
| 202 | S | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | Q | A | -2.3235 | |
| 205 | K | A | -2.2588 | |
| 206 | F | A | -1.5594 | |
| 207 | G | A | -2.2652 | |
| 208 | E | A | -3.4493 | |
| 209 | R | A | -3.1473 | |
| 210 | A | A | -1.9399 | |
| 211 | F | A | 0.0000 | |
| 212 | K | A | -2.0250 | |
| 213 | A | A | -1.4616 | |
| 214 | W | A | -0.7554 | |
| 215 | A | A | 0.0000 | |
| 216 | V | A | 0.0000 | |
| 217 | A | A | 0.0000 | |
| 218 | R | A | -0.7177 | |
| 219 | L | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | Q | A | 0.0000 | |
| 222 | R | A | -1.5615 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | K | A | -2.2788 | |
| 226 | A | A | 0.0000 | |
| 227 | E | A | -2.1848 | |
| 228 | F | A | -0.7565 | |
| 229 | A | A | -0.7498 | |
| 230 | E | A | 0.0000 | |
| 231 | V | A | 0.0000 | |
| 232 | S | A | -0.9058 | |
| 233 | K | A | -1.7601 | |
| 234 | L | A | 0.0000 | |
| 235 | V | A | 0.0000 | |
| 236 | T | A | -1.4655 | |
| 237 | D | A | -2.0453 | |
| 238 | L | A | -1.1787 | |
| 239 | T | A | -1.7582 | |
| 240 | K | A | -2.2214 | |
| 241 | V | A | 0.0000 | |
| 242 | H | A | 0.0000 | |
| 243 | T | A | -1.4278 | |
| 244 | E | A | -1.1932 | |
| 245 | C | A | 0.0000 | |
| 246 | C | A | 0.0000 | |
| 247 | H | A | -1.2929 | |
| 248 | G | A | 0.0000 | |
| 249 | D | A | -0.6782 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | E | A | -1.2779 | |
| 253 | C | A | 0.0000 | |
| 254 | A | A | -1.0217 | |
| 255 | D | A | -1.5085 | |
| 256 | D | A | -2.1714 | |
| 257 | R | A | 0.0000 | |
| 258 | A | A | -1.5106 | |
| 259 | D | A | -2.6523 | |
| 260 | L | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | K | A | -2.4649 | |
| 263 | Y | A | -1.6104 | |
| 264 | I | A | 0.0000 | |
| 265 | C | A | -2.4019 | |
| 266 | E | A | -2.6092 | |
| 267 | N | A | -2.0905 | |
| 268 | Q | A | -2.3669 | |
| 269 | D | A | -2.8032 | |
| 270 | S | A | -2.0005 | |
| 271 | I | A | 0.0000 | |
| 272 | S | A | 0.0000 | |
| 273 | S | A | -2.0067 | |
| 274 | K | A | -2.2418 | |
| 275 | L | A | 0.0000 | |
| 276 | K | A | -3.5029 | |
| 277 | E | A | -3.4656 | |
| 278 | C | A | 0.0000 | |
| 279 | C | A | -2.7679 | |
| 280 | E | A | -3.2272 | |
| 281 | K | A | -2.5461 | |
| 282 | P | A | -0.7812 | |
| 283 | L | A | 0.1231 | |
| 284 | L | A | 0.1121 | |
| 285 | E | A | -0.6846 | |
| 286 | K | A | -1.3306 | |
| 287 | S | A | 0.0000 | |
| 288 | H | A | -0.6392 | |
| 289 | C | A | -1.1173 | |
| 290 | I | A | 0.0000 | |
| 291 | A | A | -1.0933 | |
| 292 | E | A | -2.1819 | |
| 293 | V | A | -1.9001 | |
| 294 | E | A | -2.6149 | |
| 295 | N | A | -2.0898 | |
| 296 | D | A | 0.0000 | |
| 297 | E | A | -2.3495 | |
| 298 | M | A | -1.4644 | |
| 299 | P | A | -1.2968 | |
| 300 | A | A | -1.1392 | |
| 301 | D | A | -1.6997 | |
| 302 | L | A | -0.8908 | |
| 303 | P | A | -0.9282 | |
| 304 | S | A | -0.7621 | |
| 305 | L | A | -0.7713 | |
| 306 | A | A | -0.8838 | |
| 307 | A | A | -1.7553 | |
| 308 | D | A | -2.7563 | |
| 309 | F | A | 0.0000 | |
| 310 | V | A | -1.8712 | |
| 311 | E | A | -2.8404 | |
| 312 | S | A | -2.7863 | |
| 313 | K | A | -3.2864 | |
| 314 | D | A | -3.1233 | |
| 315 | V | A | 0.0000 | |
| 316 | C | A | -2.2220 | |
| 317 | K | A | -3.2752 | |
| 318 | N | A | -3.0727 | |
| 319 | Y | A | 0.0000 | |
| 320 | A | A | -2.4306 | |
| 321 | E | A | -2.7868 | |
| 322 | A | A | -1.7241 | |
| 323 | K | A | -2.1723 | |
| 324 | D | A | -1.6805 | |
| 325 | V | A | 0.5340 | |
| 326 | F | A | -0.2295 | |
| 327 | L | A | -0.3973 | |
| 328 | G | A | 0.0833 | |
| 329 | M | A | 0.4675 | |
| 330 | F | A | 0.0000 | |
| 331 | L | A | 0.0000 | |
| 332 | Y | A | 0.0000 | |
| 333 | E | A | -0.5338 | |
| 334 | Y | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | R | A | 0.0000 | |
| 337 | R | A | -1.0482 | |
| 338 | H | A | -0.8965 | |
| 339 | P | A | -1.0121 | |
| 340 | D | A | -1.4561 | |
| 341 | Y | A | -0.6699 | |
| 342 | S | A | 0.0000 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | L | A | 0.0000 | |
| 346 | L | A | 0.0000 | |
| 347 | L | A | 0.0000 | |
| 348 | R | A | -0.9920 | |
| 349 | L | A | 0.0000 | |
| 350 | A | A | -1.0423 | |
| 351 | K | A | -1.9713 | |
| 352 | T | A | -1.3321 | |
| 353 | Y | A | 0.0000 | |
| 354 | E | A | -2.3255 | |
| 355 | T | A | -1.9080 | |
| 356 | T | A | -1.9304 | |
| 357 | L | A | 0.0000 | |
| 358 | E | A | -2.7707 | |
| 359 | K | A | -2.5528 | |
| 360 | C | A | 0.0000 | |
| 361 | C | A | -1.3143 | |
| 362 | A | A | -0.9899 | |
| 363 | A | A | -1.1915 | |
| 364 | A | A | -0.9491 | |
| 365 | D | A | -2.1702 | |
| 366 | P | A | -1.8856 | |
| 367 | H | A | -2.5256 | |
| 368 | E | A | -2.4004 | |
| 369 | C | A | -1.3294 | |
| 370 | Y | A | 0.0000 | |
| 371 | A | A | -1.7101 | |
| 372 | K | A | -2.5989 | |
| 373 | V | A | 0.0000 | |
| 374 | F | A | -1.6117 | |
| 375 | D | A | -3.3713 | |
| 376 | E | A | -3.3001 | |
| 377 | F | A | 0.0000 | |
| 378 | K | A | -3.0739 | |
| 379 | P | A | -2.1741 | |
| 380 | L | A | -1.6741 | |
| 381 | V | A | 0.0000 | |
| 382 | E | A | -2.3548 | |
| 383 | E | A | -2.0289 | |
| 384 | P | A | 0.0000 | |
| 385 | Q | A | -2.2735 | |
| 386 | N | A | -2.2921 | |
| 387 | L | A | -1.5992 | |
| 388 | I | A | 0.0000 | |
| 389 | K | A | -3.1406 | |
| 390 | Q | A | -2.5751 | |
| 391 | N | A | -1.8061 | |
| 392 | C | A | 0.0000 | |
| 393 | E | A | -3.1636 | |
| 394 | L | A | -2.0642 | |
| 395 | F | A | -2.2656 | |
| 396 | E | A | -3.0643 | |
| 397 | Q | A | -2.5334 | |
| 398 | L | A | -1.6708 | |
| 399 | G | A | -1.6236 | |
| 400 | E | A | -1.8273 | |
| 401 | Y | A | -1.3109 | |
| 402 | K | A | -2.0547 | |
| 403 | F | A | 0.0000 | |
| 404 | Q | A | 0.0000 | |
| 405 | N | A | 0.0000 | |
| 406 | A | A | -0.7082 | |
| 407 | L | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | V | A | -0.3865 | |
| 410 | R | A | -0.7471 | |
| 411 | Y | A | 0.0000 | |
| 412 | T | A | 0.0000 | |
| 413 | K | A | -1.0936 | |
| 414 | K | A | 0.0000 | |
| 415 | V | A | 0.0000 | |
| 416 | P | A | 0.0000 | |
| 417 | Q | A | -0.1362 | |
| 418 | V | A | 0.0000 | |
| 419 | S | A | -0.1582 | |
| 420 | T | A | -0.4365 | |
| 421 | P | A | -0.3573 | |
| 422 | T | A | -0.3652 | |
| 423 | L | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | E | A | -0.5539 | |
| 426 | V | A | 0.0000 | |
| 427 | S | A | 0.0000 | |
| 428 | R | A | -0.8251 | |
| 429 | N | A | -0.5705 | |
| 430 | L | A | 0.0000 | |
| 431 | G | A | 0.0000 | |
| 432 | K | A | -1.1689 | |
| 433 | V | A | 0.0000 | |
| 434 | G | A | 0.0000 | |
| 435 | S | A | -1.7134 | |
| 436 | K | A | -1.9695 | |
| 437 | C | A | 0.0000 | |
| 438 | C | A | -2.5104 | |
| 439 | K | A | -2.8315 | |
| 440 | H | A | -2.3346 | |
| 441 | P | A | -2.0248 | |
| 442 | E | A | -2.9767 | |
| 443 | A | A | -1.8316 | |
| 444 | K | A | -2.1543 | |
| 445 | R | A | -2.3010 | |
| 446 | M | A | 0.0000 | |
| 447 | P | A | -0.4528 | |
| 448 | C | A | -0.5306 | |
| 449 | A | A | 0.0000 | |
| 450 | E | A | 0.0000 | |
| 451 | D | A | -0.0834 | |
| 452 | Y | A | -0.0907 | |
| 453 | L | A | 0.1502 | |
| 454 | S | A | 0.0039 | |
| 455 | V | A | -0.1288 | |
| 456 | V | A | 0.0000 | |
| 457 | L | A | 0.0000 | |
| 458 | N | A | 0.0000 | |
| 459 | Q | A | -0.2592 | |
| 460 | L | A | 0.0000 | |
| 461 | C | A | 0.0000 | |
| 462 | V | A | -1.1726 | |
| 463 | L | A | -1.3042 | |
| 464 | H | A | 0.0000 | |
| 465 | E | A | -2.4233 | |
| 466 | K | A | -2.7286 | |
| 467 | T | A | -1.2010 | |
| 468 | P | A | -1.0418 | |
| 469 | V | A | 0.2009 | |
| 470 | S | A | 0.0000 | |
| 471 | D | A | -2.0119 | |
| 472 | R | A | -1.4447 | |
| 473 | V | A | 0.0000 | |
| 474 | T | A | -1.7270 | |
| 475 | K | A | -2.1872 | |
| 476 | C | A | 0.0000 | |
| 477 | C | A | 0.0000 | |
| 478 | T | A | -1.6669 | |
| 479 | E | A | -2.1026 | |
| 480 | S | A | -1.1501 | |
| 481 | L | A | -0.3410 | |
| 482 | V | A | 0.0000 | |
| 483 | N | A | -0.6568 | |
| 484 | R | A | 0.0000 | |
| 485 | R | A | 0.0000 | |
| 486 | P | A | -0.1156 | |
| 487 | C | A | -0.3049 | |
| 488 | F | A | 0.0000 | |
| 489 | S | A | -0.2498 | |
| 490 | A | A | -0.2982 | |
| 491 | L | A | -0.5842 | |
| 492 | E | A | -1.7496 | |
| 493 | V | A | -0.9812 | |
| 494 | D | A | 0.0000 | |
| 495 | E | A | -1.8606 | |
| 496 | T | A | -0.3422 | |
| 497 | Y | A | 0.0011 | |
| 498 | V | A | 0.8889 | |
| 499 | P | A | -0.9970 | |
| 500 | K | A | -2.5229 | |
| 501 | E | A | -2.8171 | |
| 502 | F | A | -2.0466 | |
| 503 | N | A | -2.2055 | |
| 504 | A | A | -1.6604 | |
| 505 | E | A | -2.1480 | |
| 506 | T | A | -1.2471 | |
| 507 | F | A | 0.0000 | |
| 508 | T | A | -1.3371 | |
| 509 | F | A | 0.0000 | |
| 510 | H | A | -1.6675 | |
| 511 | A | A | -2.0866 | |
| 512 | D | A | -2.1079 | |
| 513 | I | A | 0.0000 | |
| 514 | C | A | -1.1677 | |
| 515 | T | A | -0.6049 | |
| 516 | L | A | -0.8277 | |
| 517 | S | A | -1.4756 | |
| 518 | E | A | -2.8376 | |
| 519 | K | A | -2.8256 | |
| 520 | E | A | -1.9079 | |
| 521 | R | A | -1.8448 | |
| 522 | Q | A | -1.5608 | |
| 523 | I | A | -1.0369 | |
| 524 | K | A | -1.4794 | |
| 525 | K | A | -0.9244 | |
| 526 | Q | A | 0.0000 | |
| 527 | T | A | -0.4737 | |
| 528 | A | A | 0.0000 | |
| 529 | L | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | E | A | -0.7790 | |
| 532 | L | A | -0.6221 | |
| 533 | V | A | 0.0000 | |
| 534 | K | A | -1.1721 | |
| 535 | H | A | -1.9540 | |
| 536 | K | A | -2.4045 | |
| 537 | P | A | -1.6120 | |
| 538 | K | A | -2.4629 | |
| 539 | A | A | -1.8500 | |
| 540 | T | A | -2.3742 | |
| 541 | K | A | -3.4282 | |
| 542 | E | A | -3.6334 | |
| 543 | Q | A | -3.1892 | |
| 544 | L | A | 0.0000 | |
| 545 | K | A | -3.3499 | |
| 546 | A | A | -2.5223 | |
| 547 | V | A | -1.6839 | |
| 548 | M | A | 0.0000 | |
| 549 | D | A | -2.8944 | |
| 550 | D | A | -2.6337 | |
| 551 | F | A | 0.0000 | |
| 552 | A | A | -1.9270 | |
| 553 | A | A | -2.0802 | |
| 554 | F | A | 0.0000 | |
| 555 | V | A | 0.0000 | |
| 556 | E | A | -3.0499 | |
| 557 | K | A | -2.9434 | |
| 558 | C | A | 0.0000 | |
| 559 | C | A | -2.6696 | |
| 560 | K | A | -3.1098 | |
| 561 | A | A | -2.8177 | |
| 562 | D | A | -3.1527 | |
| 563 | D | A | -3.0272 | |
| 564 | K | A | -3.1628 | |
| 565 | E | A | -3.5483 | |
| 566 | T | A | -2.3240 | |
| 567 | C | A | -2.0308 | |
| 568 | F | A | 0.0000 | |
| 569 | A | A | -2.1862 | |
| 570 | E | A | -2.8094 | |
| 571 | E | A | -2.2452 | |
| 572 | G | A | 0.0000 | |
| 573 | K | A | -3.0272 | |
| 574 | K | A | -2.8463 | |
| 575 | L | A | -1.7772 | |
| 576 | V | A | -1.2953 | |
| 577 | A | A | -1.1359 | |
| 578 | A | A | -0.7608 | |
| 579 | S | A | -0.7397 | |
| 580 | Q | A | -1.2948 | |
| 581 | A | A | -0.4287 | |
| 582 | A | A | -0.6096 |
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 | -0.9445 | 1.8521 | View | CSV | PDB |
| 4.5 | -1.0552 | 1.7026 | View | CSV | PDB |
| 5.0 | -1.1959 | 1.5212 | View | CSV | PDB |
| 5.5 | -1.3383 | 1.4724 | View | CSV | PDB |
| 6.0 | -1.4527 | 1.4487 | View | CSV | PDB |
| 6.5 | -1.5178 | 1.4322 | View | CSV | PDB |
| 7.0 | -1.5299 | 1.4237 | View | CSV | PDB |
| 7.5 | -1.5032 | 1.4204 | View | CSV | PDB |
| 8.0 | -1.455 | 1.4192 | View | CSV | PDB |
| 8.5 | -1.3935 | 1.4583 | View | CSV | PDB |
| 9.0 | -1.3191 | 1.6304 | 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