| Chain sequence(s) |
A: MNQSCSSLAEKDIQYQLHPFTNARLHQELGPLIIERGQGIYVYDCQGKGYIEAMAGAGSVALGFSNQRLIKAAEQQFNTLPFYHLADHKSHRPSIELAEKLIEMAPVPMSKVFFTNSGSEANDTVVKFVWYLNNALGKPAKKKFISRVNGYHGVTVASASLTGFPGNQRGFDLPLPGFLHVGCPHHYRFALAGESEEHFADRLAVELEQKILAEGPETIAAFIGEPLMGAGGAIVPPRTYWEKIQKVCRKYDILVIADEVACGFGRTGQMFGSQTFGIQPDIMVLSKQLSSSYQPIAAILINAPVFEGIADQSQALGALGHGFTGSGHPVATAVALENLKIIEEESLVEHAAQMGQLLRSGLQHFIDHPLVGEIRGCGLLAAVELVGDRVSKAPYQALGTLGRYCAGRAQEHGMITTAMGDAVAFCPPLIVNEQEVGMIVERFARCLDDTTQWVGE
B: MNQSCSSLAEKDIQYQLHPFTNARLHQELGPLIIERGQGIYVYDCQGKGYIEAMAGAGSVALGFSNQRLIKAAEQQFNTLPFYHLADHKSHRPSIELAEKLIEMAPVPMSKVFFTNSGSEANDTVVKFVWYLNNALGKPAKKKFISRVNGYHGVTVASASLTGFPGNQRGFDLPLPGFLHVGCPHHYRFALAGESEEHFADRLAVELEQKILAEGPETIAAFIGEPLMGAGGAIVPPRTYWEKIQKVCRKYDILVIADEVACGFGRTGQMFGSQTFGIQPDIMVLSKQLSSSYQPIAAILINAPVFEGIADQSQALGALGHGFTGSGHPVATAVALENLKIIEEESLVEHAAQMGQLLRSGLQHFIDHPLVGEIRGCGLLAAVELVGDRVSKAPYQALGTLGRYCAGRAQEHGMITTAMGDAVAFCPPLIVNEQEVGMIVERFARCLDDTTQWVGE input PDB |
| Selected Chain(s) | A,B |
| 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 all 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. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:36)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/6920fad75700c17/tmp/folded.pdb (00:11:36)
[INFO] Main: Simulation completed successfully. (00:18:54)
|
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 | -0.1685 | |
| 2 | N | A | -1.6468 | |
| 3 | Q | A | -1.6337 | |
| 4 | S | A | -1.0729 | |
| 5 | C | A | 0.0000 | |
| 6 | S | A | -1.2038 | |
| 7 | S | A | -1.2550 | |
| 8 | L | A | 0.0000 | |
| 9 | A | A | -1.1154 | |
| 10 | E | A | -2.2633 | |
| 11 | K | A | -1.8178 | |
| 12 | D | A | 0.0000 | |
| 13 | I | A | -1.0631 | |
| 14 | Q | A | -1.5913 | |
| 15 | Y | A | -1.0597 | |
| 16 | Q | A | 0.0000 | |
| 17 | L | A | 0.0000 | |
| 18 | H | A | 0.0000 | |
| 19 | P | A | 0.0000 | |
| 20 | F | A | -0.0079 | |
| 21 | T | A | 0.0000 | |
| 22 | N | A | -0.8867 | |
| 23 | A | A | 0.0000 | |
| 24 | R | A | -1.3532 | |
| 25 | L | A | -0.4674 | |
| 26 | H | A | 0.0000 | |
| 27 | Q | A | -1.2116 | |
| 28 | E | A | -1.1661 | |
| 29 | L | A | 0.6992 | |
| 30 | G | A | 0.0000 | |
| 31 | P | A | -0.3657 | |
| 32 | L | A | 0.0010 | |
| 33 | I | A | 0.0000 | |
| 34 | I | A | 0.0000 | |
| 35 | E | A | -1.2135 | |
| 36 | R | A | -1.8928 | |
| 37 | G | A | -1.3635 | |
| 38 | Q | A | -1.5966 | |
| 39 | G | A | -0.5048 | |
| 40 | I | A | 0.0000 | |
| 41 | Y | A | -0.3404 | |
| 42 | V | A | 0.0000 | |
| 43 | Y | A | -0.9684 | |
| 44 | D | A | 0.0000 | |
| 45 | C | A | -1.1179 | |
| 46 | Q | A | -1.6066 | |
| 47 | G | A | -1.4848 | |
| 48 | K | A | -1.3722 | |
| 49 | G | A | -0.9054 | |
| 50 | Y | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | E | A | 0.0000 | |
| 53 | A | A | 0.0000 | |
| 54 | M | A | 0.0000 | |
| 55 | A | A | 0.0000 | |
| 56 | G | A | 0.0000 | |
| 57 | A | A | -0.0732 | |
| 58 | G | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | V | A | 0.0000 | |
| 61 | A | A | 0.0000 | |
| 62 | L | A | 0.0000 | |
| 63 | G | A | 0.0000 | |
| 64 | F | A | 0.0000 | |
| 65 | S | A | -1.3485 | |
| 66 | N | A | -1.5116 | |
| 67 | Q | A | -2.1676 | |
| 68 | R | A | -1.9390 | |
| 69 | L | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | K | A | -2.9863 | |
| 72 | A | A | -1.8535 | |
| 73 | A | A | 0.0000 | |
| 74 | E | A | -2.6885 | |
| 75 | Q | A | -2.4321 | |
| 76 | Q | A | -1.6502 | |
| 77 | F | A | 0.0000 | |
| 78 | N | A | -2.0524 | |
| 79 | T | A | -1.5897 | |
| 80 | L | A | 0.0000 | |
| 81 | P | A | 0.0000 | |
| 82 | F | A | 0.0000 | |
| 83 | Y | A | 0.0000 | |
| 84 | H | A | -0.4542 | |
| 85 | L | A | 0.0000 | |
| 86 | A | A | -0.7875 | |
| 87 | D | A | -1.7428 | |
| 88 | H | A | -0.6643 | |
| 89 | K | A | -0.7431 | |
| 90 | S | A | 0.0000 | |
| 91 | H | A | 0.0000 | |
| 92 | R | A | -1.0184 | |
| 93 | P | A | 0.0000 | |
| 94 | S | A | 0.0000 | |
| 95 | I | A | 0.0000 | |
| 96 | E | A | -0.9730 | |
| 97 | L | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | E | A | -1.4337 | |
| 100 | K | A | -1.3514 | |
| 101 | L | A | 0.0000 | |
| 102 | I | A | -1.0375 | |
| 103 | E | A | -1.9154 | |
| 104 | M | A | -0.8239 | |
| 105 | A | A | -0.5453 | |
| 106 | P | A | -0.5970 | |
| 107 | V | A | -0.5226 | |
| 108 | P | A | -0.5641 | |
| 109 | M | A | 0.0000 | |
| 110 | S | A | -0.5991 | |
| 111 | K | A | 0.0000 | |
| 112 | V | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | F | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | N | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | G | A | -0.0448 | |
| 119 | S | A | 0.0000 | |
| 120 | E | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | N | A | 0.0000 | |
| 123 | D | A | 0.0000 | |
| 124 | T | A | 0.0000 | |
| 125 | V | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | K | A | 0.0000 | |
| 128 | F | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | W | A | 0.0000 | |
| 131 | Y | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | N | A | 0.0000 | |
| 134 | N | A | -0.8991 | |
| 135 | A | A | -0.3408 | |
| 136 | L | A | 0.3411 | |
| 137 | G | A | -0.4795 | |
| 138 | K | A | -1.2394 | |
| 139 | P | A | -1.1247 | |
| 140 | A | A | -0.9646 | |
| 141 | K | A | 0.0000 | |
| 142 | K | A | -1.0219 | |
| 143 | K | A | -0.7666 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | S | A | 0.0000 | |
| 147 | R | A | 0.0000 | |
| 148 | V | A | 0.7204 | |
| 149 | N | A | 0.2242 | |
| 150 | G | A | 0.0000 | |
| 151 | Y | A | 0.4907 | |
| 152 | H | A | 0.0000 | |
| 153 | G | A | 0.0000 | |
| 154 | V | A | 0.0000 | |
| 155 | T | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | A | A | 0.0000 | |
| 158 | S | A | 0.0000 | |
| 159 | A | A | 0.0000 | |
| 160 | S | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | 0.0000 | |
| 163 | G | A | 0.2513 | |
| 164 | F | A | -0.0894 | |
| 165 | P | A | -0.8948 | |
| 166 | G | A | -1.0157 | |
| 167 | N | A | 0.0000 | |
| 168 | Q | A | -1.6156 | |
| 169 | R | A | -2.4405 | |
| 170 | G | A | -1.5852 | |
| 171 | F | A | 0.0000 | |
| 172 | D | A | -2.0701 | |
| 173 | L | A | 0.0000 | |
| 174 | P | A | -0.8447 | |
| 175 | L | A | 0.0000 | |
| 176 | P | A | -0.3834 | |
| 177 | G | A | -0.5034 | |
| 178 | F | A | 0.0000 | |
| 179 | L | A | -0.0882 | |
| 180 | H | A | -0.0504 | |
| 181 | V | A | 0.0000 | |
| 182 | G | A | 0.0008 | |
| 183 | C | A | 0.0000 | |
| 184 | P | A | 0.0000 | |
| 185 | H | A | 0.0000 | |
| 186 | H | A | 0.0765 | |
| 187 | Y | A | -0.0103 | |
| 188 | R | A | -0.0733 | |
| 189 | F | A | 1.0718 | |
| 190 | A | A | 0.6102 | |
| 191 | L | A | 1.2724 | |
| 192 | A | A | 0.6511 | |
| 193 | G | A | -0.2460 | |
| 194 | E | A | 0.0000 | |
| 195 | S | A | -1.2250 | |
| 196 | E | A | -2.0401 | |
| 197 | E | A | -2.3664 | |
| 198 | H | A | -2.2475 | |
| 199 | F | A | 0.0000 | |
| 200 | A | A | 0.0000 | |
| 201 | D | A | -2.0136 | |
| 202 | R | A | -1.2457 | |
| 203 | L | A | 0.0000 | |
| 204 | A | A | 0.0000 | |
| 205 | V | A | 0.0590 | |
| 206 | E | A | -1.1268 | |
| 207 | L | A | 0.0000 | |
| 208 | E | A | -1.0312 | |
| 209 | Q | A | -1.1386 | |
| 210 | K | A | -0.8637 | |
| 211 | I | A | 0.0000 | |
| 212 | L | A | 0.1070 | |
| 213 | A | A | -0.1137 | |
| 214 | E | A | -0.6152 | |
| 215 | G | A | -0.6370 | |
| 216 | P | A | -1.3530 | |
| 217 | E | A | -2.2423 | |
| 218 | T | A | -1.1950 | |
| 219 | I | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | A | A | 0.0000 | |
| 222 | F | A | 0.0000 | |
| 223 | I | A | 0.0000 | |
| 224 | G | A | 0.0000 | |
| 225 | E | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | M | A | 0.0000 | |
| 229 | G | A | 0.1032 | |
| 230 | A | A | 0.0775 | |
| 231 | G | A | 0.1407 | |
| 232 | G | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | I | A | 0.0000 | |
| 235 | V | A | 0.2772 | |
| 236 | P | A | 0.0000 | |
| 237 | P | A | 0.0000 | |
| 238 | R | A | -2.4746 | |
| 239 | T | A | -2.1966 | |
| 240 | Y | A | 0.0000 | |
| 241 | W | A | 0.0000 | |
| 242 | E | A | -2.8599 | |
| 243 | K | A | -2.1661 | |
| 244 | I | A | 0.0000 | |
| 245 | Q | A | -2.5986 | |
| 246 | K | A | -3.4285 | |
| 247 | V | A | 0.0000 | |
| 248 | C | A | 0.0000 | |
| 249 | R | A | -3.7467 | |
| 250 | K | A | -3.5302 | |
| 251 | Y | A | -2.4985 | |
| 252 | D | A | -3.0020 | |
| 253 | I | A | 0.0000 | |
| 254 | L | A | -0.5433 | |
| 255 | V | A | 0.0000 | |
| 256 | I | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | D | A | 0.0000 | |
| 259 | E | A | 0.0000 | |
| 260 | V | A | 0.1901 | |
| 261 | A | A | 0.0926 | |
| 262 | C | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | F | A | 0.0000 | |
| 265 | G | A | 0.0000 | |
| 266 | R | A | 0.0000 | |
| 267 | T | A | 0.0000 | |
| 268 | G | A | -1.2826 | |
| 269 | Q | A | -1.4440 | |
| 270 | M | A | -0.9350 | |
| 271 | F | A | 0.0000 | |
| 272 | G | A | 0.0000 | |
| 273 | S | A | 0.0000 | |
| 274 | Q | A | -1.1359 | |
| 275 | T | A | -0.5801 | |
| 276 | F | A | -0.8061 | |
| 277 | G | A | -1.2216 | |
| 278 | I | A | 0.0000 | |
| 279 | Q | A | -1.5842 | |
| 280 | P | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | M | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | S | A | -0.0772 | |
| 287 | K | A | -0.2269 | |
| 288 | Q | A | 0.0000 | |
| 289 | L | A | 0.0000 | |
| 290 | S | A | 0.0000 | |
| 291 | S | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | Y | A | 0.0000 | |
| 294 | Q | A | 0.0000 | |
| 295 | P | A | 0.0000 | |
| 296 | I | A | 0.0000 | |
| 297 | A | A | 0.0000 | |
| 298 | A | A | 0.0000 | |
| 299 | I | A | 0.0000 | |
| 300 | L | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | N | A | -0.3255 | |
| 303 | A | A | -0.4220 | |
| 304 | P | A | -0.5374 | |
| 305 | V | A | 0.0000 | |
| 306 | F | A | 0.0000 | |
| 307 | E | A | -1.3779 | |
| 308 | G | A | -0.7908 | |
| 309 | I | A | 0.0000 | |
| 310 | A | A | 0.0000 | |
| 311 | D | A | -2.1616 | |
| 312 | Q | A | -1.3305 | |
| 313 | S | A | 0.0000 | |
| 314 | Q | A | -1.7795 | |
| 315 | A | A | -0.9967 | |
| 316 | L | A | -0.9380 | |
| 317 | G | A | -0.8870 | |
| 318 | A | A | -0.7854 | |
| 319 | L | A | 0.0000 | |
| 320 | G | A | -0.3677 | |
| 321 | H | A | 0.0000 | |
| 322 | G | A | 0.0000 | |
| 323 | F | A | 0.0000 | |
| 324 | T | A | -0.1485 | |
| 325 | G | A | -0.1234 | |
| 326 | S | A | 0.0000 | |
| 327 | G | A | 0.0000 | |
| 328 | H | A | 0.0000 | |
| 329 | P | A | 0.0000 | |
| 330 | V | A | 0.0000 | |
| 331 | A | A | 0.0000 | |
| 332 | T | A | 0.0000 | |
| 333 | A | A | -0.5849 | |
| 334 | V | A | 0.0000 | |
| 335 | A | A | 0.0000 | |
| 336 | L | A | -0.3815 | |
| 337 | E | A | -0.7618 | |
| 338 | N | A | 0.0000 | |
| 339 | L | A | 0.0000 | |
| 340 | K | A | -2.3853 | |
| 341 | I | A | 0.0000 | |
| 342 | I | A | 0.0000 | |
| 343 | E | A | -3.7850 | |
| 344 | E | A | -3.8591 | |
| 345 | E | A | -3.6138 | |
| 346 | S | A | -2.9265 | |
| 347 | L | A | 0.0000 | |
| 348 | V | A | 0.0000 | |
| 349 | E | A | -2.7625 | |
| 350 | H | A | -1.6439 | |
| 351 | A | A | 0.0000 | |
| 352 | A | A | -1.4777 | |
| 353 | Q | A | -1.7886 | |
| 354 | M | A | 0.0000 | |
| 355 | G | A | 0.0000 | |
| 356 | Q | A | -1.3223 | |
| 357 | L | A | -0.9602 | |
| 358 | L | A | 0.0000 | |
| 359 | R | A | -1.0008 | |
| 360 | S | A | -0.8366 | |
| 361 | G | A | -0.9768 | |
| 362 | L | A | 0.0000 | |
| 363 | Q | A | -1.1245 | |
| 364 | H | A | -1.3207 | |
| 365 | F | A | -0.6309 | |
| 366 | I | A | -0.5696 | |
| 367 | D | A | -1.8453 | |
| 368 | H | A | -1.1971 | |
| 369 | P | A | -1.2457 | |
| 370 | L | A | 0.0000 | |
| 371 | V | A | 0.0000 | |
| 372 | G | A | -0.6535 | |
| 373 | E | A | -0.5691 | |
| 374 | I | A | -0.1633 | |
| 375 | R | A | -0.1869 | |
| 376 | G | A | -0.1524 | |
| 377 | C | A | -0.1849 | |
| 378 | G | A | 0.0000 | |
| 379 | L | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | A | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | V | A | 0.0000 | |
| 384 | E | A | 0.0000 | |
| 385 | L | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | G | A | -0.8555 | |
| 388 | D | A | -0.9578 | |
| 389 | R | A | -0.9622 | |
| 390 | V | A | 0.8442 | |
| 391 | S | A | -0.0791 | |
| 392 | K | A | -0.7042 | |
| 393 | A | A | -0.3305 | |
| 394 | P | A | -0.2188 | |
| 395 | Y | A | -0.2309 | |
| 396 | Q | A | -0.7418 | |
| 397 | A | A | 0.2546 | |
| 398 | L | A | 1.1101 | |
| 399 | G | A | 0.0000 | |
| 400 | T | A | -0.3096 | |
| 401 | L | A | 0.0000 | |
| 402 | G | A | 0.0000 | |
| 403 | R | A | -1.7960 | |
| 404 | Y | A | -1.0481 | |
| 405 | C | A | 0.0000 | |
| 406 | A | A | -1.3905 | |
| 407 | G | A | -1.8090 | |
| 408 | R | A | -2.6926 | |
| 409 | A | A | 0.0000 | |
| 410 | Q | A | -1.7204 | |
| 411 | E | A | -2.7527 | |
| 412 | H | A | -2.0661 | |
| 413 | G | A | 0.0000 | |
| 414 | M | A | 0.0000 | |
| 415 | I | A | 0.0000 | |
| 416 | T | A | -0.3925 | |
| 417 | T | A | -0.6190 | |
| 418 | A | A | -0.5409 | |
| 419 | M | A | 0.0072 | |
| 420 | G | A | -0.0104 | |
| 421 | D | A | 0.0000 | |
| 422 | A | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | F | A | 0.0000 | |
| 426 | C | A | 0.0000 | |
| 427 | P | A | 0.0000 | |
| 428 | P | A | 0.0000 | |
| 429 | L | A | 0.0000 | |
| 430 | I | A | 0.3187 | |
| 431 | V | A | 0.0000 | |
| 432 | N | A | -1.7933 | |
| 433 | E | A | -2.7624 | |
| 434 | Q | A | -2.3316 | |
| 435 | E | A | -1.6922 | |
| 436 | V | A | 0.0000 | |
| 437 | G | A | -1.6409 | |
| 438 | M | A | -1.3449 | |
| 439 | I | A | 0.0000 | |
| 440 | V | A | -1.3116 | |
| 441 | E | A | -2.2997 | |
| 442 | R | A | -2.0505 | |
| 443 | F | A | 0.0000 | |
| 444 | A | A | -1.9619 | |
| 445 | R | A | -3.1358 | |
| 446 | C | A | 0.0000 | |
| 447 | L | A | 0.0000 | |
| 448 | D | A | -3.0802 | |
| 449 | D | A | -2.1213 | |
| 450 | T | A | 0.0000 | |
| 451 | T | A | -2.0779 | |
| 452 | Q | A | -2.1555 | |
| 453 | W | A | -0.7784 | |
| 454 | V | A | -0.8301 | |
| 455 | G | A | -1.5003 | |
| 456 | E | A | -2.4735 | |
| 1 | M | B | -0.1650 | |
| 2 | N | B | -1.6955 | |
| 3 | Q | B | -1.6501 | |
| 4 | S | B | -1.0971 | |
| 5 | C | B | 0.0000 | |
| 6 | S | B | -1.2250 | |
| 7 | S | B | -1.2779 | |
| 8 | L | B | 0.0000 | |
| 9 | A | B | -1.0641 | |
| 10 | E | B | -2.3354 | |
| 11 | K | B | -1.9063 | |
| 12 | D | B | 0.0000 | |
| 13 | I | B | -1.1926 | |
| 14 | Q | B | -1.7754 | |
| 15 | Y | B | 0.0000 | |
| 16 | Q | B | 0.0000 | |
| 17 | L | B | 0.0000 | |
| 18 | H | B | 0.0000 | |
| 19 | P | B | 0.0000 | |
| 20 | F | B | -0.1052 | |
| 21 | T | B | 0.0000 | |
| 22 | N | B | -1.0089 | |
| 23 | A | B | 0.0000 | |
| 24 | R | B | -1.4087 | |
| 25 | L | B | -0.4773 | |
| 26 | H | B | 0.0000 | |
| 27 | Q | B | -1.2719 | |
| 28 | E | B | -1.1764 | |
| 29 | L | B | 0.6890 | |
| 30 | G | B | 0.0000 | |
| 31 | P | B | -0.4068 | |
| 32 | L | B | -0.0078 | |
| 33 | I | B | 0.0000 | |
| 34 | I | B | 0.0000 | |
| 35 | E | B | -1.3967 | |
| 36 | R | B | -1.9190 | |
| 37 | G | B | -1.2507 | |
| 38 | Q | B | -1.2707 | |
| 39 | G | B | -0.3585 | |
| 40 | I | B | 0.0000 | |
| 41 | Y | B | -0.2714 | |
| 42 | V | B | 0.0000 | |
| 43 | Y | B | -1.1175 | |
| 44 | D | B | -1.1916 | |
| 45 | C | B | -1.2597 | |
| 46 | Q | B | -1.6476 | |
| 47 | G | B | -1.6899 | |
| 48 | K | B | -1.4542 | |
| 49 | G | B | -0.9515 | |
| 50 | Y | B | 0.0000 | |
| 51 | I | B | 0.0000 | |
| 52 | E | B | 0.0000 | |
| 53 | A | B | 0.0000 | |
| 54 | M | B | 0.0000 | |
| 55 | A | B | 0.0000 | |
| 56 | G | B | 0.0000 | |
| 57 | A | B | -0.0795 | |
| 58 | G | B | 0.0000 | |
| 59 | S | B | 0.0000 | |
| 60 | V | B | 0.0000 | |
| 61 | A | B | 0.0000 | |
| 62 | L | B | 0.0000 | |
| 63 | G | B | 0.0000 | |
| 64 | F | B | 0.0000 | |
| 65 | S | B | -1.2167 | |
| 66 | N | B | -1.4229 | |
| 67 | Q | B | -2.1028 | |
| 68 | R | B | -1.8827 | |
| 69 | L | B | 0.0000 | |
| 70 | I | B | 0.0000 | |
| 71 | K | B | -2.8481 | |
| 72 | A | B | -1.6655 | |
| 73 | A | B | 0.0000 | |
| 74 | E | B | -2.2993 | |
| 75 | Q | B | -2.1690 | |
| 76 | Q | B | 0.0000 | |
| 77 | F | B | 0.0000 | |
| 78 | N | B | -2.0202 | |
| 79 | T | B | -1.5661 | |
| 80 | L | B | 0.0000 | |
| 81 | P | B | 0.0000 | |
| 82 | F | B | 0.0000 | |
| 83 | Y | B | 0.0000 | |
| 84 | H | B | -0.4473 | |
| 85 | L | B | 0.0000 | |
| 86 | A | B | -0.7570 | |
| 87 | D | B | -1.7195 | |
| 88 | H | B | -0.6270 | |
| 89 | K | B | -0.6957 | |
| 90 | S | B | 0.0000 | |
| 91 | H | B | 0.0000 | |
| 92 | R | B | -0.9515 | |
| 93 | P | B | -0.5131 | |
| 94 | S | B | 0.0000 | |
| 95 | I | B | 0.0000 | |
| 96 | E | B | -0.9549 | |
| 97 | L | B | 0.0000 | |
| 98 | A | B | 0.0000 | |
| 99 | E | B | -1.4099 | |
| 100 | K | B | -1.3733 | |
| 101 | L | B | 0.0000 | |
| 102 | I | B | -1.0309 | |
| 103 | E | B | -1.9212 | |
| 104 | M | B | -0.8449 | |
| 105 | A | B | -0.6276 | |
| 106 | P | B | -0.6745 | |
| 107 | V | B | -0.5662 | |
| 108 | P | B | -0.5694 | |
| 109 | M | B | 0.0000 | |
| 110 | S | B | -0.5589 | |
| 111 | K | B | 0.0000 | |
| 112 | V | B | 0.0000 | |
| 113 | F | B | 0.0000 | |
| 114 | F | B | 0.0000 | |
| 115 | T | B | 0.0000 | |
| 116 | N | B | 0.0000 | |
| 117 | S | B | 0.0000 | |
| 118 | G | B | -0.0668 | |
| 119 | S | B | 0.0000 | |
| 120 | E | B | 0.0000 | |
| 121 | A | B | 0.0000 | |
| 122 | N | B | 0.0000 | |
| 123 | D | B | 0.0000 | |
| 124 | T | B | 0.0000 | |
| 125 | V | B | 0.0000 | |
| 126 | V | B | 0.0000 | |
| 127 | K | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | V | B | 0.0000 | |
| 130 | W | B | 0.0000 | |
| 131 | Y | B | 0.0000 | |
| 132 | L | B | 0.0000 | |
| 133 | N | B | 0.0000 | |
| 134 | N | B | -1.1172 | |
| 135 | A | B | -0.4732 | |
| 136 | L | B | 0.1157 | |
| 137 | G | B | -0.7975 | |
| 138 | K | B | -1.8667 | |
| 139 | P | B | -1.4325 | |
| 140 | A | B | -1.1603 | |
| 141 | K | B | 0.0000 | |
| 142 | K | B | -1.0797 | |
| 143 | K | B | -0.7392 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | S | B | 0.0000 | |
| 147 | R | B | 0.0000 | |
| 148 | V | B | 0.7808 | |
| 149 | N | B | 0.2203 | |
| 150 | G | B | 0.0000 | |
| 151 | Y | B | 0.4993 | |
| 152 | H | B | 0.0000 | |
| 153 | G | B | 0.0658 | |
| 154 | V | B | 0.0000 | |
| 155 | T | B | 0.0000 | |
| 156 | V | B | 0.0000 | |
| 157 | A | B | 0.0000 | |
| 158 | S | B | 0.0000 | |
| 159 | A | B | 0.0000 | |
| 160 | S | B | 0.0000 | |
| 161 | L | B | 0.0000 | |
| 162 | T | B | 0.0000 | |
| 163 | G | B | 0.0000 | |
| 164 | F | B | -0.0520 | |
| 165 | P | B | -0.8632 | |
| 166 | G | B | -1.0760 | |
| 167 | N | B | 0.0000 | |
| 168 | Q | B | -1.5322 | |
| 169 | R | B | -2.4087 | |
| 170 | G | B | -1.5695 | |
| 171 | F | B | 0.0000 | |
| 172 | D | B | -1.9188 | |
| 173 | L | B | -1.0763 | |
| 174 | P | B | -0.6485 | |
| 175 | L | B | -0.2669 | |
| 176 | P | B | -0.2701 | |
| 177 | G | B | -0.4444 | |
| 178 | F | B | 0.0000 | |
| 179 | L | B | -0.0356 | |
| 180 | H | B | 0.0348 | |
| 181 | V | B | 0.0000 | |
| 182 | G | B | 0.0354 | |
| 183 | C | B | 0.0000 | |
| 184 | P | B | 0.0000 | |
| 185 | H | B | 0.0000 | |
| 186 | H | B | 0.1190 | |
| 187 | Y | B | 0.0725 | |
| 188 | R | B | 0.0078 | |
| 189 | F | B | 1.0999 | |
| 190 | A | B | 0.6413 | |
| 191 | L | B | 1.3188 | |
| 192 | A | B | 0.6705 | |
| 193 | G | B | -0.2350 | |
| 194 | E | B | 0.0000 | |
| 195 | S | B | -1.2304 | |
| 196 | E | B | -2.0657 | |
| 197 | E | B | -2.4190 | |
| 198 | H | B | -2.2559 | |
| 199 | F | B | 0.0000 | |
| 200 | A | B | 0.0000 | |
| 201 | D | B | -1.9560 | |
| 202 | R | B | -1.1911 | |
| 203 | L | B | 0.0000 | |
| 204 | A | B | 0.0000 | |
| 205 | V | B | 0.1255 | |
| 206 | E | B | -1.0021 | |
| 207 | L | B | 0.0000 | |
| 208 | E | B | -1.0650 | |
| 209 | Q | B | -1.2106 | |
| 210 | K | B | -1.0171 | |
| 211 | I | B | 0.0000 | |
| 212 | L | B | -0.1194 | |
| 213 | A | B | -0.3230 | |
| 214 | E | B | -0.8999 | |
| 215 | G | B | -0.8030 | |
| 216 | P | B | -1.4675 | |
| 217 | E | B | -2.3920 | |
| 218 | T | B | -1.3132 | |
| 219 | I | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | A | B | 0.0000 | |
| 222 | F | B | 0.0000 | |
| 223 | I | B | 0.0000 | |
| 224 | G | B | 0.0000 | |
| 225 | E | B | 0.0000 | |
| 226 | P | B | 0.0000 | |
| 227 | L | B | 0.0000 | |
| 228 | M | B | 0.0000 | |
| 229 | G | B | 0.1168 | |
| 230 | A | B | 0.0940 | |
| 231 | G | B | 0.1685 | |
| 232 | G | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | I | B | 0.0000 | |
| 235 | V | B | 0.3526 | |
| 236 | P | B | 0.0000 | |
| 237 | P | B | 0.0000 | |
| 238 | R | B | -2.4862 | |
| 239 | T | B | -2.2080 | |
| 240 | Y | B | 0.0000 | |
| 241 | W | B | 0.0000 | |
| 242 | E | B | -2.8622 | |
| 243 | K | B | -2.1714 | |
| 244 | I | B | 0.0000 | |
| 245 | Q | B | -2.5895 | |
| 246 | K | B | -3.4096 | |
| 247 | V | B | 0.0000 | |
| 248 | C | B | 0.0000 | |
| 249 | R | B | -3.7251 | |
| 250 | K | B | -3.5205 | |
| 251 | Y | B | -2.5217 | |
| 252 | D | B | -2.9973 | |
| 253 | I | B | 0.0000 | |
| 254 | L | B | -0.5395 | |
| 255 | V | B | 0.0000 | |
| 256 | I | B | 0.0000 | |
| 257 | A | B | 0.0000 | |
| 258 | D | B | 0.0000 | |
| 259 | E | B | 0.0000 | |
| 260 | V | B | 0.1869 | |
| 261 | A | B | 0.0967 | |
| 262 | C | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | F | B | 0.0000 | |
| 265 | G | B | 0.0000 | |
| 266 | R | B | 0.0000 | |
| 267 | T | B | 0.0000 | |
| 268 | G | B | -1.2503 | |
| 269 | Q | B | -1.4407 | |
| 270 | M | B | -0.9185 | |
| 271 | F | B | 0.0000 | |
| 272 | G | B | 0.0000 | |
| 273 | S | B | 0.0000 | |
| 274 | Q | B | -1.3818 | |
| 275 | T | B | -0.6901 | |
| 276 | F | B | -0.8634 | |
| 277 | G | B | -1.3033 | |
| 278 | I | B | 0.0000 | |
| 279 | Q | B | -1.6251 | |
| 280 | P | B | 0.0000 | |
| 281 | D | B | 0.0000 | |
| 282 | I | B | 0.0000 | |
| 283 | M | B | 0.0000 | |
| 284 | V | B | 0.0000 | |
| 285 | L | B | 0.0000 | |
| 286 | S | B | -0.0805 | |
| 287 | K | B | -0.2350 | |
| 288 | Q | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | S | B | 0.0000 | |
| 291 | S | B | 0.0000 | |
| 292 | S | B | 0.0000 | |
| 293 | Y | B | 0.0000 | |
| 294 | Q | B | 0.0000 | |
| 295 | P | B | 0.0000 | |
| 296 | I | B | 0.0000 | |
| 297 | A | B | 0.0000 | |
| 298 | A | B | 0.0000 | |
| 299 | I | B | 0.0000 | |
| 300 | L | B | 0.0000 | |
| 301 | I | B | 0.0000 | |
| 302 | N | B | -0.3260 | |
| 303 | A | B | -0.4287 | |
| 304 | P | B | -0.5481 | |
| 305 | V | B | 0.0000 | |
| 306 | F | B | 0.0000 | |
| 307 | E | B | -1.3807 | |
| 308 | G | B | -0.7721 | |
| 309 | I | B | 0.0000 | |
| 310 | A | B | 0.0000 | |
| 311 | D | B | -1.9338 | |
| 312 | Q | B | -1.3743 | |
| 313 | S | B | 0.0000 | |
| 314 | Q | B | -1.5104 | |
| 315 | A | B | -0.8073 | |
| 316 | L | B | -0.7506 | |
| 317 | G | B | -0.7516 | |
| 318 | A | B | -0.6649 | |
| 319 | L | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | H | B | 0.0000 | |
| 322 | G | B | 0.0000 | |
| 323 | F | B | 0.0000 | |
| 324 | T | B | -0.1103 | |
| 325 | G | B | 0.0000 | |
| 326 | S | B | 0.0000 | |
| 327 | G | B | 0.0000 | |
| 328 | H | B | 0.0000 | |
| 329 | P | B | 0.0000 | |
| 330 | V | B | 0.0000 | |
| 331 | A | B | 0.0000 | |
| 332 | T | B | 0.0000 | |
| 333 | A | B | -0.4979 | |
| 334 | V | B | 0.0000 | |
| 335 | A | B | 0.0000 | |
| 336 | L | B | -0.3532 | |
| 337 | E | B | -0.7628 | |
| 338 | N | B | 0.0000 | |
| 339 | L | B | 0.0000 | |
| 340 | K | B | -2.3818 | |
| 341 | I | B | 0.0000 | |
| 342 | I | B | 0.0000 | |
| 343 | E | B | -3.6817 | |
| 344 | E | B | -3.8327 | |
| 345 | E | B | -3.5781 | |
| 346 | S | B | -2.8569 | |
| 347 | L | B | 0.0000 | |
| 348 | V | B | -1.7041 | |
| 349 | E | B | -2.6879 | |
| 350 | H | B | -1.7296 | |
| 351 | A | B | 0.0000 | |
| 352 | A | B | -1.4318 | |
| 353 | Q | B | -1.7727 | |
| 354 | M | B | 0.0000 | |
| 355 | G | B | 0.0000 | |
| 356 | Q | B | -1.2800 | |
| 357 | L | B | -0.7291 | |
| 358 | L | B | 0.0000 | |
| 359 | R | B | -0.9327 | |
| 360 | S | B | -0.8780 | |
| 361 | G | B | -0.9407 | |
| 362 | L | B | 0.0000 | |
| 363 | Q | B | -1.0752 | |
| 364 | H | B | -1.3041 | |
| 365 | F | B | -0.5982 | |
| 366 | I | B | -0.5422 | |
| 367 | D | B | -1.8285 | |
| 368 | H | B | -1.1741 | |
| 369 | P | B | -1.2269 | |
| 370 | L | B | 0.0000 | |
| 371 | V | B | 0.0000 | |
| 372 | G | B | -0.6194 | |
| 373 | E | B | -0.5016 | |
| 374 | I | B | -0.0775 | |
| 375 | R | B | 0.0000 | |
| 376 | G | B | -0.0684 | |
| 377 | C | B | -0.1653 | |
| 378 | G | B | 0.0000 | |
| 379 | L | B | 0.0000 | |
| 380 | L | B | 0.0000 | |
| 381 | A | B | 0.0000 | |
| 382 | A | B | 0.0000 | |
| 383 | V | B | 0.0000 | |
| 384 | E | B | 0.0000 | |
| 385 | L | B | 0.0000 | |
| 386 | V | B | 0.0000 | |
| 387 | G | B | -0.8437 | |
| 388 | D | B | -0.9326 | |
| 389 | R | B | -0.9140 | |
| 390 | V | B | 0.8684 | |
| 391 | S | B | -0.0632 | |
| 392 | K | B | -0.6695 | |
| 393 | A | B | -0.3125 | |
| 394 | P | B | -0.2050 | |
| 395 | Y | B | -0.2262 | |
| 396 | Q | B | -0.7409 | |
| 397 | A | B | 0.2543 | |
| 398 | L | B | 1.1159 | |
| 399 | G | B | 0.0000 | |
| 400 | T | B | -0.3278 | |
| 401 | L | B | 0.0000 | |
| 402 | G | B | 0.0000 | |
| 403 | R | B | -1.7759 | |
| 404 | Y | B | -1.0091 | |
| 405 | C | B | 0.0000 | |
| 406 | A | B | -1.3517 | |
| 407 | G | B | -1.7333 | |
| 408 | R | B | -2.5759 | |
| 409 | A | B | 0.0000 | |
| 410 | Q | B | -1.7081 | |
| 411 | E | B | -2.7349 | |
| 412 | H | B | -2.0686 | |
| 413 | G | B | 0.0000 | |
| 414 | M | B | 0.0000 | |
| 415 | I | B | 0.0000 | |
| 416 | T | B | -0.3808 | |
| 417 | T | B | -0.6165 | |
| 418 | A | B | -0.5206 | |
| 419 | M | B | 0.0659 | |
| 420 | G | B | 0.0186 | |
| 421 | D | B | 0.0000 | |
| 422 | A | B | 0.0000 | |
| 423 | V | B | 0.0000 | |
| 424 | A | B | 0.0000 | |
| 425 | F | B | 0.0000 | |
| 426 | C | B | 0.0000 | |
| 427 | P | B | 0.0000 | |
| 428 | P | B | 0.0000 | |
| 429 | L | B | 0.0000 | |
| 430 | I | B | 0.3206 | |
| 431 | V | B | 0.0000 | |
| 432 | N | B | -1.7950 | |
| 433 | E | B | -2.7521 | |
| 434 | Q | B | -2.3876 | |
| 435 | E | B | -1.6851 | |
| 436 | V | B | 0.0000 | |
| 437 | G | B | -1.6240 | |
| 438 | M | B | -1.3353 | |
| 439 | I | B | 0.0000 | |
| 440 | V | B | -1.3035 | |
| 441 | E | B | -2.3225 | |
| 442 | R | B | -2.0780 | |
| 443 | F | B | 0.0000 | |
| 444 | A | B | -1.9826 | |
| 445 | R | B | -3.1873 | |
| 446 | C | B | 0.0000 | |
| 447 | L | B | 0.0000 | |
| 448 | D | B | -3.0075 | |
| 449 | D | B | -1.9264 | |
| 450 | T | B | 0.0000 | |
| 451 | T | B | -2.0187 | |
| 452 | Q | B | -2.0905 | |
| 453 | W | B | -0.7459 | |
| 454 | V | B | -0.8170 | |
| 455 | G | B | -1.5085 | |
| 456 | E | B | -2.4751 |
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 | -0.3674 | 2.0502 | View | CSV | PDB |
| 4.5 | -0.4103 | 2.0522 | View | CSV | PDB |
| 5.0 | -0.4658 | 2.0683 | View | CSV | PDB |
| 5.5 | -0.5246 | 2.0949 | View | CSV | PDB |
| 6.0 | -0.5773 | 2.1231 | View | CSV | PDB |
| 6.5 | -0.617 | 2.1422 | View | CSV | PDB |
| 7.0 | -0.6408 | 2.151 | View | CSV | PDB |
| 7.5 | -0.6515 | 2.1543 | View | CSV | PDB |
| 8.0 | -0.6542 | 2.1554 | View | CSV | PDB |
| 8.5 | -0.6517 | 2.1557 | View | CSV | PDB |
| 9.0 | -0.6442 | 2.1558 | 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