| Chain sequence(s) |
A: MAQVQLVESGGGVVQPGRSLRLSCSSSGFIFSDNYMYWVRQAPGKGLEWVATISDGGSYTYYPDSVKGRFTISRDNSKNTLFLQMDSLRPEDTGVYFCARGYYRYEGAMDYWGQGTPVTVSSGGGGSGGGGSGGGGSDIQLTQSPSSLSASVGDRVTITCKSSQSVLYSSNQKNYLAWYQQKPGKAPKLLIYWASTRESGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCHQYLSSWTFGQGTKLEIKAAAGGGGSGGGGSGGGGSMGQDRPIKFSTEGATSQSYKQFIEALRERLRGGLIHDIPVLPDPTTLQERNRYITVELSNSDTESIEVGIDVTNAYVVAYRAGTQSYFLRDAPSSASDYLFTGTDQHSLPFYGTYGDLERWAHQSRQQIPLGLQALTHGISFFRSGGNDNEEKARTLIVIIQMVAEAARFRYISNRVRVSIQTGTAFQPDAAMISLENNWDNLSRGVQESVQDTFPNQVTLTNIRNEPVIVDSLSHPTVAVLALMLFVCNPPN
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:01)
[INFO] FoldX: Starting FoldX energy minimization (00:00:01)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:05:41)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/67208cefc7d62a5/tmp/folded.pdb (00:05:41)
[INFO] Main: Simulation completed successfully. (00:09:19)
|
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 | 0.8139 | |
| 2 | A | A | -0.0903 | |
| 3 | Q | A | -1.0364 | |
| 4 | V | A | -0.2642 | |
| 5 | Q | A | -0.6118 | |
| 6 | L | A | 0.0000 | |
| 7 | V | A | 1.2069 | |
| 8 | E | A | 0.0000 | |
| 9 | S | A | -0.3125 | |
| 10 | G | A | -1.0393 | |
| 11 | G | A | -0.4635 | |
| 12 | G | A | -0.0497 | |
| 13 | V | A | 1.0348 | |
| 14 | V | A | 0.0000 | |
| 15 | Q | A | -1.9164 | |
| 16 | P | A | -2.1744 | |
| 17 | G | A | -2.2681 | |
| 18 | R | A | -2.9126 | |
| 19 | S | A | -2.2602 | |
| 20 | L | A | -1.4552 | |
| 21 | R | A | -2.0964 | |
| 22 | L | A | 0.0000 | |
| 23 | S | A | -0.3681 | |
| 24 | C | A | 0.0000 | |
| 25 | S | A | -0.1784 | |
| 26 | S | A | 0.0000 | |
| 27 | S | A | -0.2864 | |
| 28 | G | A | 0.0212 | |
| 29 | F | A | 0.7293 | |
| 30 | I | A | 1.4343 | |
| 31 | F | A | 0.0000 | |
| 32 | S | A | -0.8304 | |
| 33 | D | A | -0.8550 | |
| 34 | N | A | 0.0000 | |
| 35 | Y | A | 0.0258 | |
| 36 | M | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | W | A | 0.0000 | |
| 39 | V | A | 0.0000 | |
| 40 | R | A | 0.0000 | |
| 41 | Q | A | -0.8224 | |
| 42 | A | A | -1.2359 | |
| 43 | P | A | -0.9760 | |
| 44 | G | A | -1.4508 | |
| 45 | K | A | -2.3913 | |
| 46 | G | A | -1.6427 | |
| 47 | L | A | 0.0000 | |
| 48 | E | A | -1.0896 | |
| 49 | W | A | 0.0000 | |
| 50 | V | A | 0.0000 | |
| 51 | A | A | 0.0000 | |
| 52 | T | A | 0.0000 | |
| 53 | I | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | D | A | -1.0007 | |
| 56 | G | A | -1.1428 | |
| 57 | G | A | -0.5034 | |
| 58 | S | A | 0.0531 | |
| 59 | Y | A | 1.1038 | |
| 60 | T | A | 0.8312 | |
| 61 | Y | A | 0.4459 | |
| 62 | Y | A | -0.6595 | |
| 63 | P | A | -1.5968 | |
| 64 | D | A | -2.8397 | |
| 65 | S | A | -1.9351 | |
| 66 | V | A | 0.0000 | |
| 67 | K | A | -2.5501 | |
| 68 | G | A | -1.7907 | |
| 69 | R | A | -1.5740 | |
| 70 | F | A | 0.0000 | |
| 71 | T | A | -0.8082 | |
| 72 | I | A | 0.0000 | |
| 73 | S | A | -0.2305 | |
| 74 | R | A | -1.0734 | |
| 75 | D | A | -1.5553 | |
| 76 | N | A | -1.7574 | |
| 77 | S | A | -1.5887 | |
| 78 | K | A | -2.3888 | |
| 79 | N | A | -1.4316 | |
| 80 | T | A | -0.9893 | |
| 81 | L | A | 0.0000 | |
| 82 | F | A | -0.4261 | |
| 83 | L | A | 0.0000 | |
| 84 | Q | A | -1.2481 | |
| 85 | M | A | 0.0000 | |
| 86 | D | A | -2.1844 | |
| 87 | S | A | -1.9143 | |
| 88 | L | A | 0.0000 | |
| 89 | R | A | -2.5588 | |
| 90 | P | A | -1.8990 | |
| 91 | E | A | -2.4047 | |
| 92 | D | A | 0.0000 | |
| 93 | T | A | -0.6988 | |
| 94 | G | A | 0.0000 | |
| 95 | V | A | 0.1578 | |
| 96 | Y | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | C | A | 0.0000 | |
| 99 | A | A | 0.0000 | |
| 100 | R | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | Y | A | 0.0569 | |
| 103 | Y | A | -0.0393 | |
| 104 | R | A | -1.4211 | |
| 105 | Y | A | 0.0000 | |
| 106 | E | A | -0.8743 | |
| 107 | G | A | -0.3088 | |
| 108 | A | A | 0.0000 | |
| 109 | M | A | 0.0000 | |
| 110 | D | A | -0.0865 | |
| 111 | Y | A | 0.3850 | |
| 112 | W | A | -0.1262 | |
| 113 | G | A | 0.0000 | |
| 114 | Q | A | -1.2491 | |
| 115 | G | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | P | A | 0.0308 | |
| 118 | V | A | 0.0000 | |
| 119 | T | A | -0.0286 | |
| 120 | V | A | 0.0000 | |
| 121 | S | A | -0.6474 | |
| 122 | S | A | -1.3394 | |
| 123 | G | A | -1.2033 | |
| 124 | G | A | -1.0890 | |
| 125 | G | A | -1.1526 | |
| 126 | G | A | -1.1362 | |
| 127 | S | A | -0.9285 | |
| 128 | G | A | -1.1570 | |
| 129 | G | A | -1.1638 | |
| 130 | G | A | -1.4190 | |
| 131 | G | A | -1.3505 | |
| 132 | S | A | -1.2696 | |
| 133 | G | A | -1.1981 | |
| 134 | G | A | -1.6880 | |
| 135 | G | A | -1.5364 | |
| 136 | G | A | -1.8566 | |
| 137 | S | A | -1.4519 | |
| 138 | D | A | -2.2346 | |
| 139 | I | A | 0.0000 | |
| 140 | Q | A | -2.0173 | |
| 141 | L | A | 0.0000 | |
| 142 | T | A | -1.1615 | |
| 143 | Q | A | 0.0000 | |
| 144 | S | A | -0.5244 | |
| 145 | P | A | -0.5821 | |
| 146 | S | A | -0.8921 | |
| 147 | S | A | -1.1087 | |
| 148 | L | A | -0.8497 | |
| 149 | S | A | -1.1973 | |
| 150 | A | A | -1.0679 | |
| 151 | S | A | -0.9016 | |
| 152 | V | A | 0.0025 | |
| 153 | G | A | -1.0028 | |
| 154 | D | A | -1.8673 | |
| 155 | R | A | -2.4144 | |
| 156 | V | A | 0.0000 | |
| 157 | T | A | -0.6191 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.7130 | |
| 160 | C | A | 0.0000 | |
| 161 | K | A | -2.0941 | |
| 162 | S | A | 0.0000 | |
| 163 | S | A | -1.8286 | |
| 164 | Q | A | -2.0161 | |
| 165 | S | A | -0.8535 | |
| 166 | V | A | 0.0000 | |
| 167 | L | A | 0.1047 | |
| 168 | Y | A | 0.3262 | |
| 169 | S | A | -0.4019 | |
| 170 | S | A | -0.5891 | |
| 171 | N | A | -0.9638 | |
| 172 | Q | A | -1.4182 | |
| 173 | K | A | -0.9786 | |
| 174 | N | A | -0.3688 | |
| 175 | Y | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | A | A | 0.0000 | |
| 178 | W | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | K | A | -1.7025 | |
| 183 | P | A | -1.1818 | |
| 184 | G | A | -1.9990 | |
| 185 | K | A | -2.6069 | |
| 186 | A | A | -1.5608 | |
| 187 | P | A | 0.0000 | |
| 188 | K | A | -1.4122 | |
| 189 | L | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | Y | A | 0.0000 | |
| 193 | W | A | -0.4795 | |
| 194 | A | A | 0.0000 | |
| 195 | S | A | -0.6628 | |
| 196 | T | A | -0.5525 | |
| 197 | R | A | -1.0127 | |
| 198 | E | A | -0.9427 | |
| 199 | S | A | -0.6765 | |
| 200 | G | A | -0.6905 | |
| 201 | V | A | -0.6206 | |
| 202 | P | A | -0.5030 | |
| 203 | S | A | -0.5717 | |
| 204 | R | A | -0.7615 | |
| 205 | F | A | 0.0000 | |
| 206 | S | A | -0.5141 | |
| 207 | G | A | -0.4734 | |
| 208 | S | A | -0.7555 | |
| 209 | G | A | -1.1882 | |
| 210 | S | A | -1.0767 | |
| 211 | G | A | -0.9347 | |
| 212 | T | A | -1.6517 | |
| 213 | D | A | -2.4738 | |
| 214 | F | A | 0.0000 | |
| 215 | T | A | -0.7847 | |
| 216 | F | A | 0.0000 | |
| 217 | T | A | -0.5819 | |
| 218 | I | A | 0.0000 | |
| 219 | S | A | -1.3613 | |
| 220 | S | A | -1.3221 | |
| 221 | L | A | 0.0000 | |
| 222 | Q | A | -0.9097 | |
| 223 | P | A | -0.8930 | |
| 224 | E | A | -1.4970 | |
| 225 | D | A | 0.0000 | |
| 226 | I | A | -0.8209 | |
| 227 | A | A | 0.0000 | |
| 228 | T | A | -1.0578 | |
| 229 | Y | A | 0.0000 | |
| 230 | Y | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | H | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | Y | A | 0.0000 | |
| 235 | L | A | 0.3487 | |
| 236 | S | A | -0.1941 | |
| 237 | S | A | -0.6201 | |
| 238 | W | A | -0.2106 | |
| 239 | T | A | -0.6813 | |
| 240 | F | A | 0.0000 | |
| 241 | G | A | 0.0000 | |
| 242 | Q | A | -1.7330 | |
| 243 | G | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | K | A | -2.0122 | |
| 246 | L | A | 0.0000 | |
| 247 | E | A | -2.0904 | |
| 248 | I | A | -0.8002 | |
| 249 | K | A | -1.5678 | |
| 250 | A | A | -0.7059 | |
| 251 | A | A | -0.2947 | |
| 252 | A | A | -0.5984 | |
| 253 | G | A | -0.8201 | |
| 254 | G | A | -1.0469 | |
| 255 | G | A | -1.1501 | |
| 256 | G | A | -1.1496 | |
| 257 | S | A | -0.9461 | |
| 258 | G | A | -1.0691 | |
| 259 | G | A | -1.1216 | |
| 260 | G | A | -1.0681 | |
| 261 | G | A | -0.9864 | |
| 262 | S | A | -0.8665 | |
| 263 | G | A | -0.9906 | |
| 264 | G | A | -1.0874 | |
| 265 | G | A | -1.0687 | |
| 266 | G | A | -0.7104 | |
| 267 | S | A | -0.3947 | |
| 268 | M | A | 0.1029 | |
| 269 | G | A | -1.4276 | |
| 270 | Q | A | -2.5680 | |
| 271 | D | A | -3.2505 | |
| 272 | R | A | -3.3218 | |
| 273 | P | A | -2.0196 | |
| 274 | I | A | -1.5252 | |
| 275 | K | A | -2.1565 | |
| 276 | F | A | 0.0000 | |
| 277 | S | A | -1.6324 | |
| 278 | T | A | 0.0000 | |
| 279 | E | A | -2.3595 | |
| 280 | G | A | -1.4234 | |
| 281 | A | A | -1.2735 | |
| 282 | T | A | -1.3695 | |
| 283 | S | A | -1.4366 | |
| 284 | Q | A | -2.2438 | |
| 285 | S | A | -1.8843 | |
| 286 | Y | A | 0.0000 | |
| 287 | K | A | -2.6530 | |
| 288 | Q | A | -2.5905 | |
| 289 | F | A | 0.0000 | |
| 290 | I | A | 0.0000 | |
| 291 | E | A | -2.2882 | |
| 292 | A | A | -2.0125 | |
| 293 | L | A | 0.0000 | |
| 294 | R | A | -2.2540 | |
| 295 | E | A | -3.2087 | |
| 296 | R | A | -2.6289 | |
| 297 | L | A | 0.0000 | |
| 298 | R | A | -2.3486 | |
| 299 | G | A | -1.3449 | |
| 300 | G | A | -0.4015 | |
| 301 | L | A | 0.5418 | |
| 302 | I | A | 0.2267 | |
| 303 | H | A | -0.9808 | |
| 304 | D | A | -1.5478 | |
| 305 | I | A | -0.4617 | |
| 306 | P | A | -0.4971 | |
| 307 | V | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | P | A | -0.7472 | |
| 310 | D | A | -0.4159 | |
| 311 | P | A | -0.5822 | |
| 312 | T | A | -0.3997 | |
| 313 | T | A | -0.5447 | |
| 314 | L | A | -1.4427 | |
| 315 | Q | A | -2.6125 | |
| 316 | E | A | -2.8471 | |
| 317 | R | A | -3.3211 | |
| 318 | N | A | -2.7562 | |
| 319 | R | A | -1.9173 | |
| 320 | Y | A | -0.7364 | |
| 321 | I | A | 0.0000 | |
| 322 | T | A | -0.8873 | |
| 323 | V | A | 0.0000 | |
| 324 | E | A | -1.3097 | |
| 325 | L | A | 0.0000 | |
| 326 | S | A | -1.6049 | |
| 327 | N | A | -1.7012 | |
| 328 | S | A | -1.8785 | |
| 329 | D | A | -2.3583 | |
| 330 | T | A | -1.4256 | |
| 331 | E | A | -1.6384 | |
| 332 | S | A | -1.4501 | |
| 333 | I | A | 0.0000 | |
| 334 | E | A | -0.8707 | |
| 335 | V | A | 0.0000 | |
| 336 | G | A | 0.0000 | |
| 337 | I | A | 0.0000 | |
| 338 | D | A | 0.0000 | |
| 339 | V | A | 0.0000 | |
| 340 | T | A | 0.0000 | |
| 341 | N | A | -0.4019 | |
| 342 | A | A | 0.0000 | |
| 343 | Y | A | 0.1242 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | Y | A | 0.0000 | |
| 348 | R | A | -1.4587 | |
| 349 | A | A | -1.1496 | |
| 350 | G | A | -1.2097 | |
| 351 | T | A | -1.2134 | |
| 352 | Q | A | -1.9902 | |
| 353 | S | A | 0.0000 | |
| 354 | Y | A | -1.0694 | |
| 355 | F | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | R | A | -2.1424 | |
| 358 | D | A | -1.6474 | |
| 359 | A | A | -0.9610 | |
| 360 | P | A | -0.8772 | |
| 361 | S | A | -0.9380 | |
| 362 | S | A | -1.0254 | |
| 363 | A | A | 0.0000 | |
| 364 | S | A | -0.9728 | |
| 365 | D | A | -1.9115 | |
| 366 | Y | A | -0.9119 | |
| 367 | L | A | 0.0000 | |
| 368 | F | A | 0.0000 | |
| 369 | T | A | -0.9127 | |
| 370 | G | A | -1.2637 | |
| 371 | T | A | -1.7159 | |
| 372 | D | A | -2.6634 | |
| 373 | Q | A | -2.1401 | |
| 374 | H | A | -1.7144 | |
| 375 | S | A | -1.2246 | |
| 376 | L | A | 0.0000 | |
| 377 | P | A | -0.7837 | |
| 378 | F | A | 0.0000 | |
| 379 | Y | A | -0.0912 | |
| 380 | G | A | 0.0000 | |
| 381 | T | A | -0.1121 | |
| 382 | Y | A | -0.3360 | |
| 383 | G | A | -0.6252 | |
| 384 | D | A | -0.7696 | |
| 385 | L | A | 0.0000 | |
| 386 | E | A | -1.8311 | |
| 387 | R | A | -2.4745 | |
| 388 | W | A | -1.4257 | |
| 389 | A | A | 0.0000 | |
| 390 | H | A | -2.0063 | |
| 391 | Q | A | -1.8565 | |
| 392 | S | A | -1.5862 | |
| 393 | R | A | 0.0000 | |
| 394 | Q | A | -2.0710 | |
| 395 | Q | A | -2.1530 | |
| 396 | I | A | 0.0000 | |
| 397 | P | A | -1.1606 | |
| 398 | L | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | L | A | -0.8294 | |
| 401 | Q | A | -1.3740 | |
| 402 | A | A | -0.8189 | |
| 403 | L | A | 0.0000 | |
| 404 | T | A | -1.1495 | |
| 405 | H | A | -1.1652 | |
| 406 | G | A | 0.0000 | |
| 407 | I | A | 0.0000 | |
| 408 | S | A | -0.8585 | |
| 409 | F | A | -0.8345 | |
| 410 | F | A | 0.0000 | |
| 411 | R | A | -1.5141 | |
| 412 | S | A | -1.0467 | |
| 413 | G | A | -1.3679 | |
| 414 | G | A | -1.6035 | |
| 415 | N | A | -2.3896 | |
| 416 | D | A | -2.6829 | |
| 417 | N | A | -2.0106 | |
| 418 | E | A | -2.1028 | |
| 419 | E | A | -1.5215 | |
| 420 | K | A | 0.0000 | |
| 421 | A | A | 0.0000 | |
| 422 | R | A | -1.0244 | |
| 423 | T | A | 0.0000 | |
| 424 | L | A | 0.0000 | |
| 425 | I | A | 0.0000 | |
| 426 | V | A | 0.0000 | |
| 427 | I | A | 0.0000 | |
| 428 | I | A | 0.0000 | |
| 429 | Q | A | 0.0000 | |
| 430 | M | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | A | A | 0.0000 | |
| 433 | E | A | 0.0000 | |
| 434 | A | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | R | A | 0.0000 | |
| 437 | F | A | 0.0000 | |
| 438 | R | A | -1.1411 | |
| 439 | Y | A | -0.5086 | |
| 440 | I | A | 0.0000 | |
| 441 | S | A | 0.0000 | |
| 442 | N | A | -1.1881 | |
| 443 | R | A | -0.6055 | |
| 444 | V | A | 0.0000 | |
| 445 | R | A | -0.9266 | |
| 446 | V | A | 0.6561 | |
| 447 | S | A | 0.0000 | |
| 448 | I | A | 0.0000 | |
| 449 | Q | A | -1.0833 | |
| 450 | T | A | -0.4831 | |
| 451 | G | A | -0.7452 | |
| 452 | T | A | -0.2925 | |
| 453 | A | A | -0.2726 | |
| 454 | F | A | -0.5896 | |
| 455 | Q | A | -1.8597 | |
| 456 | P | A | 0.0000 | |
| 457 | D | A | -0.9815 | |
| 458 | A | A | -0.8760 | |
| 459 | A | A | -0.4095 | |
| 460 | M | A | 0.0000 | |
| 461 | I | A | -0.2995 | |
| 462 | S | A | -0.4683 | |
| 463 | L | A | 0.0000 | |
| 464 | E | A | 0.0000 | |
| 465 | N | A | -1.5876 | |
| 466 | N | A | -1.5058 | |
| 467 | W | A | 0.0000 | |
| 468 | D | A | -1.6916 | |
| 469 | N | A | -2.2969 | |
| 470 | L | A | 0.0000 | |
| 471 | S | A | 0.0000 | |
| 472 | R | A | -1.9293 | |
| 473 | G | A | 0.0000 | |
| 474 | V | A | 0.0000 | |
| 475 | Q | A | -0.8619 | |
| 476 | E | A | -1.7126 | |
| 477 | S | A | -0.8512 | |
| 478 | V | A | 0.5479 | |
| 479 | Q | A | -0.6151 | |
| 480 | D | A | -1.0473 | |
| 481 | T | A | -1.0508 | |
| 482 | F | A | 0.0000 | |
| 483 | P | A | -1.4329 | |
| 484 | N | A | -2.5568 | |
| 485 | Q | A | -2.0646 | |
| 486 | V | A | 0.0000 | |
| 487 | T | A | -0.3055 | |
| 488 | L | A | 0.0000 | |
| 489 | T | A | -0.9104 | |
| 490 | N | A | -1.0637 | |
| 491 | I | A | -0.2650 | |
| 492 | R | A | -2.4009 | |
| 493 | N | A | -2.6220 | |
| 494 | E | A | -2.6706 | |
| 495 | P | A | -1.0724 | |
| 496 | V | A | 0.0527 | |
| 497 | I | A | 0.6296 | |
| 498 | V | A | 0.0000 | |
| 499 | D | A | -1.3434 | |
| 500 | S | A | -0.8854 | |
| 501 | L | A | -0.4413 | |
| 502 | S | A | -0.5265 | |
| 503 | H | A | -0.4337 | |
| 504 | P | A | -0.2769 | |
| 505 | T | A | 0.0870 | |
| 506 | V | A | 0.0000 | |
| 507 | A | A | 0.0122 | |
| 508 | V | A | 0.0233 | |
| 509 | L | A | 0.0000 | |
| 510 | A | A | 0.0000 | |
| 511 | L | A | 0.0000 | |
| 512 | M | A | 0.0000 | |
| 513 | L | A | -0.1536 | |
| 514 | F | A | 0.1528 | |
| 515 | V | A | -0.3010 | |
| 516 | C | A | -0.0240 | |
| 517 | N | A | -1.5268 | |
| 518 | P | A | -1.1268 | |
| 519 | P | A | -1.2371 | |
| 520 | N | A | -1.6689 |
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 | -0.6108 | 2.7432 | View | CSV | PDB |
| 4.5 | -0.6555 | 2.6374 | View | CSV | PDB |
| 5.0 | -0.7083 | 2.5219 | View | CSV | PDB |
| 5.5 | -0.7614 | 2.4201 | View | CSV | PDB |
| 6.0 | -0.8068 | 2.4201 | View | CSV | PDB |
| 6.5 | -0.8389 | 2.4201 | View | CSV | PDB |
| 7.0 | -0.8577 | 2.4201 | View | CSV | PDB |
| 7.5 | -0.8678 | 2.4201 | View | CSV | PDB |
| 8.0 | -0.8724 | 2.4201 | View | CSV | PDB |
| 8.5 | -0.8714 | 2.4201 | View | CSV | PDB |
| 9.0 | -0.863 | 2.4201 | 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