| Chain sequence(s) | MSHQGKKSIPHITSDRLLIRGGRIINDDQSFYADVYLEDGLIKQIGENLIVPGGVKTIEANGRMVIPGGIDVNTYLQKPSQGMTSADDFFQGTKAALAGGTTMIIDHVVPEPGSSLLTSFEKWHEAADTKSCCDYSLHVDITSWYDGVREELEVLVQDKGVNSFQVYMAYKDLYQMSDSQLYEAFTFLKGLGAVILVHAENGDLIAQEQKRILEMGITGPEGHALSRPEELEAEAVFRAIAIAGRINCPVYITKVMSKSAADIIALARKKGPLVFGEPIAASLGTDGTHYWSKNWAKAAAFVTSPPLSPDPTTPDYLTSLLACGDLQVTGSGHCPYSTAQKAVGKDNFTLIPEGVNGIEERMTVVWDKAVATGKMDENQFVAVTSTNAAKIFNLYPRKGRIAVGSDADVVIWDPDKMKTITAKSHKSTVEYNIFEGMECHGSPLVVISQGKIVFEDGNISVSKGMGRFIPRKPFPEHLYQRVRIRSKVFGLHSVSRGMYDGPVYEVPATPKHAAPAPSAKSSPSKHQPPPIRNLHQSNFSLSGAQIDDNNPRRTGHRIVAPPGGRSNITSLG input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 (00:12:40)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1d0e4c25a17266/tmp/folded.pdb (00:12:40)
[INFO] Main: Simulation completed successfully. (00:22:03)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.6102 | |
| 2 | S | A | -0.5838 | |
| 3 | H | A | -1.7543 | |
| 4 | Q | A | -2.4668 | |
| 5 | G | A | -2.6439 | |
| 6 | K | A | -2.9464 | |
| 7 | K | A | -2.4307 | |
| 8 | S | A | -0.7449 | |
| 9 | I | A | 1.1784 | |
| 10 | P | A | 0.5184 | |
| 11 | H | A | 0.3061 | |
| 12 | I | A | 1.2809 | |
| 13 | T | A | -0.0756 | |
| 14 | S | A | -1.1255 | |
| 15 | D | A | -2.4245 | |
| 16 | R | A | -2.3332 | |
| 17 | L | A | 0.0000 | |
| 18 | L | A | 0.0000 | |
| 19 | I | A | 0.0000 | |
| 20 | R | A | -2.1661 | |
| 21 | G | A | -1.8539 | |
| 22 | G | A | 0.0000 | |
| 23 | R | A | -0.1495 | |
| 24 | I | A | 0.0000 | |
| 25 | I | A | 0.0000 | |
| 26 | N | A | 0.0000 | |
| 27 | D | A | -2.1587 | |
| 28 | D | A | -2.7856 | |
| 29 | Q | A | -2.1738 | |
| 30 | S | A | -0.6081 | |
| 31 | F | A | 0.9553 | |
| 32 | Y | A | 0.9215 | |
| 33 | A | A | 0.0000 | |
| 34 | D | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | Y | A | 0.0000 | |
| 37 | L | A | 0.0000 | |
| 38 | E | A | -2.2928 | |
| 39 | D | A | -2.6430 | |
| 40 | G | A | 0.0000 | |
| 41 | L | A | -0.9410 | |
| 42 | I | A | 0.0000 | |
| 43 | K | A | -0.9511 | |
| 44 | Q | A | -0.6409 | |
| 45 | I | A | -0.1929 | |
| 46 | G | A | -0.8506 | |
| 47 | E | A | -2.1024 | |
| 48 | N | A | -1.5925 | |
| 49 | L | A | -0.0819 | |
| 50 | I | A | 1.5889 | |
| 51 | V | A | 0.8309 | |
| 52 | P | A | 0.1387 | |
| 53 | G | A | -0.5955 | |
| 54 | G | A | -0.8481 | |
| 55 | V | A | -0.9668 | |
| 56 | K | A | -1.5625 | |
| 57 | T | A | -1.3421 | |
| 58 | I | A | 0.0000 | |
| 59 | E | A | -2.7966 | |
| 60 | A | A | 0.0000 | |
| 61 | N | A | -2.3560 | |
| 62 | G | A | -1.7131 | |
| 63 | R | A | -1.8206 | |
| 64 | M | A | 0.0000 | |
| 65 | V | A | 0.0000 | |
| 66 | I | A | 0.0000 | |
| 67 | P | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | D | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | N | A | 0.0000 | |
| 74 | T | A | 0.0000 | |
| 75 | Y | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | Q | A | -0.5969 | |
| 78 | K | A | -0.5989 | |
| 79 | P | A | -0.9123 | |
| 80 | S | A | -1.0351 | |
| 81 | Q | A | -1.1616 | |
| 82 | G | A | -0.9981 | |
| 83 | M | A | -0.5821 | |
| 84 | T | A | -0.4845 | |
| 85 | S | A | 0.0000 | |
| 86 | A | A | -0.1989 | |
| 87 | D | A | 0.0000 | |
| 88 | D | A | -0.4825 | |
| 89 | F | A | 0.0000 | |
| 90 | F | A | -0.8723 | |
| 91 | Q | A | -0.8147 | |
| 92 | G | A | 0.0000 | |
| 93 | T | A | 0.0000 | |
| 94 | K | A | -0.7650 | |
| 95 | A | A | 0.0000 | |
| 96 | A | A | 0.0000 | |
| 97 | L | A | 0.0000 | |
| 98 | A | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | T | A | 0.0000 | |
| 102 | T | A | 0.0000 | |
| 103 | M | A | 0.0000 | |
| 104 | I | A | 0.0000 | |
| 105 | I | A | 0.0000 | |
| 106 | D | A | 0.0000 | |
| 107 | H | A | 0.0000 | |
| 108 | V | A | 0.0000 | |
| 109 | V | A | 0.0000 | |
| 110 | P | A | 0.0000 | |
| 111 | E | A | -1.9671 | |
| 112 | P | A | -1.2721 | |
| 113 | G | A | -1.0987 | |
| 114 | S | A | -0.9536 | |
| 115 | S | A | -0.5007 | |
| 116 | L | A | 0.0000 | |
| 117 | L | A | -0.6664 | |
| 118 | T | A | -1.0419 | |
| 119 | S | A | 0.0000 | |
| 120 | F | A | 0.0000 | |
| 121 | E | A | -3.2342 | |
| 122 | K | A | -3.2575 | |
| 123 | W | A | 0.0000 | |
| 124 | H | A | -2.8205 | |
| 125 | E | A | -3.6191 | |
| 126 | A | A | -2.3325 | |
| 127 | A | A | 0.0000 | |
| 128 | D | A | -2.7320 | |
| 129 | T | A | -2.1221 | |
| 130 | K | A | -2.0917 | |
| 131 | S | A | 0.0000 | |
| 132 | C | A | 0.0000 | |
| 133 | C | A | 0.0000 | |
| 134 | D | A | 0.0000 | |
| 135 | Y | A | 0.0000 | |
| 136 | S | A | 0.0000 | |
| 137 | L | A | 0.0000 | |
| 138 | H | A | 0.0000 | |
| 139 | V | A | 0.0000 | |
| 140 | D | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | T | A | 0.0000 | |
| 143 | S | A | -0.2751 | |
| 144 | W | A | 0.0000 | |
| 145 | Y | A | -0.1324 | |
| 146 | D | A | -2.0155 | |
| 147 | G | A | -1.5411 | |
| 148 | V | A | 0.0000 | |
| 149 | R | A | -2.3138 | |
| 150 | E | A | -2.8308 | |
| 151 | E | A | -1.5986 | |
| 152 | L | A | 0.0000 | |
| 153 | E | A | -2.1543 | |
| 154 | V | A | -1.5274 | |
| 155 | L | A | 0.0000 | |
| 156 | V | A | 0.0000 | |
| 157 | Q | A | -2.4953 | |
| 158 | D | A | -2.7146 | |
| 159 | K | A | -1.9828 | |
| 160 | G | A | -1.4913 | |
| 161 | V | A | 0.0000 | |
| 162 | N | A | 0.0000 | |
| 163 | S | A | 0.0000 | |
| 164 | F | A | 0.0000 | |
| 165 | Q | A | 0.0000 | |
| 166 | V | A | 0.0000 | |
| 167 | Y | A | 0.0000 | |
| 168 | M | A | 0.0000 | |
| 169 | A | A | 0.0000 | |
| 170 | Y | A | -0.7577 | |
| 171 | K | A | -2.0169 | |
| 172 | D | A | -2.0535 | |
| 173 | L | A | -0.4017 | |
| 174 | Y | A | -0.4506 | |
| 175 | Q | A | -1.1961 | |
| 176 | M | A | 0.0000 | |
| 177 | S | A | -1.0968 | |
| 178 | D | A | -1.4758 | |
| 179 | S | A | -1.0512 | |
| 180 | Q | A | -1.0041 | |
| 181 | L | A | 0.0000 | |
| 182 | Y | A | -0.4716 | |
| 183 | E | A | -1.5227 | |
| 184 | A | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | T | A | -0.5974 | |
| 187 | F | A | -0.5044 | |
| 188 | L | A | 0.0000 | |
| 189 | K | A | -0.4507 | |
| 190 | G | A | -0.4103 | |
| 191 | L | A | -0.3383 | |
| 192 | G | A | 0.0000 | |
| 193 | A | A | 0.0000 | |
| 194 | V | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | L | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | H | A | 0.0000 | |
| 199 | A | A | 0.0000 | |
| 200 | E | A | 0.0000 | |
| 201 | N | A | -1.1250 | |
| 202 | G | A | 0.0000 | |
| 203 | D | A | -2.3019 | |
| 204 | L | A | -0.9665 | |
| 205 | I | A | 0.0000 | |
| 206 | A | A | -2.0227 | |
| 207 | Q | A | -2.3137 | |
| 208 | E | A | -1.8267 | |
| 209 | Q | A | -1.6530 | |
| 210 | K | A | -2.8059 | |
| 211 | R | A | -2.3661 | |
| 212 | I | A | 0.0000 | |
| 213 | L | A | -1.1408 | |
| 214 | E | A | -2.0037 | |
| 215 | M | A | -0.2296 | |
| 216 | G | A | -0.3628 | |
| 217 | I | A | -0.0942 | |
| 218 | T | A | -0.8781 | |
| 219 | G | A | -0.9487 | |
| 220 | P | A | 0.0000 | |
| 221 | E | A | -0.0880 | |
| 222 | G | A | 0.0000 | |
| 223 | H | A | 0.0000 | |
| 224 | A | A | 0.0000 | |
| 225 | L | A | 0.4009 | |
| 226 | S | A | 0.0000 | |
| 227 | R | A | 0.0000 | |
| 228 | P | A | -0.6656 | |
| 229 | E | A | -1.6042 | |
| 230 | E | A | -2.4381 | |
| 231 | L | A | 0.0000 | |
| 232 | E | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -1.0974 | |
| 235 | A | A | 0.0000 | |
| 236 | V | A | 0.0000 | |
| 237 | F | A | 1.0460 | |
| 238 | R | A | -0.0503 | |
| 239 | A | A | 0.0000 | |
| 240 | I | A | 0.0000 | |
| 241 | A | A | -0.2078 | |
| 242 | I | A | -0.5129 | |
| 243 | A | A | 0.0000 | |
| 244 | G | A | -1.1632 | |
| 245 | R | A | -1.7571 | |
| 246 | I | A | -0.8933 | |
| 247 | N | A | -1.0178 | |
| 248 | C | A | 0.0000 | |
| 249 | P | A | 0.0000 | |
| 250 | V | A | 0.0000 | |
| 251 | Y | A | 0.0000 | |
| 252 | I | A | 0.0000 | |
| 253 | T | A | 0.0000 | |
| 254 | K | A | -0.1800 | |
| 255 | V | A | 0.0000 | |
| 256 | M | A | 0.0000 | |
| 257 | S | A | 0.0000 | |
| 258 | K | A | -1.0809 | |
| 259 | S | A | -1.0144 | |
| 260 | A | A | 0.0000 | |
| 261 | A | A | 0.0000 | |
| 262 | D | A | -0.7001 | |
| 263 | I | A | -0.0933 | |
| 264 | I | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | L | A | -0.5673 | |
| 267 | A | A | 0.0000 | |
| 268 | R | A | -1.7910 | |
| 269 | K | A | -2.5622 | |
| 270 | K | A | -2.5530 | |
| 271 | G | A | -1.5857 | |
| 272 | P | A | -1.1424 | |
| 273 | L | A | -0.6139 | |
| 274 | V | A | 0.0000 | |
| 275 | F | A | 0.2078 | |
| 276 | G | A | 0.0000 | |
| 277 | E | A | 0.0000 | |
| 278 | P | A | 0.0000 | |
| 279 | I | A | 0.0000 | |
| 280 | A | A | 0.0000 | |
| 281 | A | A | 0.0000 | |
| 282 | S | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | T | A | 0.0000 | |
| 286 | D | A | -0.7667 | |
| 287 | G | A | 0.0000 | |
| 288 | T | A | -0.3736 | |
| 289 | H | A | -0.7502 | |
| 290 | Y | A | 0.0000 | |
| 291 | W | A | -0.3822 | |
| 292 | S | A | -1.3559 | |
| 293 | K | A | -2.3326 | |
| 294 | N | A | -2.2887 | |
| 295 | W | A | -1.4961 | |
| 296 | A | A | -1.1467 | |
| 297 | K | A | -1.5217 | |
| 298 | A | A | 0.0000 | |
| 299 | A | A | 0.0000 | |
| 300 | A | A | -0.5063 | |
| 301 | F | A | 0.0000 | |
| 302 | V | A | 0.0000 | |
| 303 | T | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | P | A | 0.0000 | |
| 306 | P | A | 0.0000 | |
| 307 | L | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | P | A | -0.6637 | |
| 310 | D | A | -1.0915 | |
| 311 | P | A | -0.9990 | |
| 312 | T | A | -0.9712 | |
| 313 | T | A | 0.0000 | |
| 314 | P | A | 0.0000 | |
| 315 | D | A | -1.8439 | |
| 316 | Y | A | -0.6172 | |
| 317 | L | A | 0.0000 | |
| 318 | T | A | 0.0000 | |
| 319 | S | A | -0.4439 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | 0.0000 | |
| 322 | A | A | -0.2761 | |
| 323 | C | A | 0.3821 | |
| 324 | G | A | -0.0655 | |
| 325 | D | A | -0.4608 | |
| 326 | L | A | 0.0000 | |
| 327 | Q | A | 0.0000 | |
| 328 | V | A | 0.0000 | |
| 329 | T | A | 0.0000 | |
| 330 | G | A | 0.0000 | |
| 331 | S | A | 0.0000 | |
| 332 | G | A | 0.0000 | |
| 333 | H | A | 0.0000 | |
| 334 | C | A | 0.0000 | |
| 335 | P | A | 0.0000 | |
| 336 | Y | A | 0.0000 | |
| 337 | S | A | -0.4507 | |
| 338 | T | A | -0.3329 | |
| 339 | A | A | -0.1331 | |
| 340 | Q | A | -0.0611 | |
| 341 | K | A | 0.0000 | |
| 342 | A | A | -0.1401 | |
| 343 | V | A | 0.5481 | |
| 344 | G | A | 0.0000 | |
| 345 | K | A | -1.9483 | |
| 346 | D | A | -2.2940 | |
| 347 | N | A | -1.1028 | |
| 348 | F | A | 0.0000 | |
| 349 | T | A | -0.2662 | |
| 350 | L | A | 0.2122 | |
| 351 | I | A | 0.0000 | |
| 352 | P | A | 0.0000 | |
| 353 | E | A | -0.4539 | |
| 354 | G | A | 0.0000 | |
| 355 | V | A | 0.0000 | |
| 356 | N | A | 0.0000 | |
| 357 | G | A | 0.0000 | |
| 358 | I | A | 0.0000 | |
| 359 | E | A | 0.0000 | |
| 360 | E | A | 0.0000 | |
| 361 | R | A | 0.0000 | |
| 362 | M | A | 0.0000 | |
| 363 | T | A | 0.0000 | |
| 364 | V | A | 0.0000 | |
| 365 | V | A | 0.0000 | |
| 366 | W | A | 0.0000 | |
| 367 | D | A | -0.7133 | |
| 368 | K | A | -0.9885 | |
| 369 | A | A | 0.0000 | |
| 370 | V | A | -0.9714 | |
| 371 | A | A | -0.9100 | |
| 372 | T | A | -0.9584 | |
| 373 | G | A | -1.1897 | |
| 374 | K | A | -1.4429 | |
| 375 | M | A | 0.0000 | |
| 376 | D | A | -2.1194 | |
| 377 | E | A | -1.6939 | |
| 378 | N | A | -2.0052 | |
| 379 | Q | A | -1.7254 | |
| 380 | F | A | 0.0000 | |
| 381 | V | A | 0.0000 | |
| 382 | A | A | -1.0149 | |
| 383 | V | A | 0.0000 | |
| 384 | T | A | 0.0000 | |
| 385 | S | A | 0.0000 | |
| 386 | T | A | 0.0000 | |
| 387 | N | A | -0.4637 | |
| 388 | A | A | 0.0000 | |
| 389 | A | A | 0.0000 | |
| 390 | K | A | -1.0126 | |
| 391 | I | A | 0.0000 | |
| 392 | F | A | 0.0000 | |
| 393 | N | A | -1.2425 | |
| 394 | L | A | 0.0000 | |
| 395 | Y | A | -0.7414 | |
| 396 | P | A | -0.8904 | |
| 397 | R | A | -1.6208 | |
| 398 | K | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | R | A | -0.7515 | |
| 401 | I | A | 0.0000 | |
| 402 | A | A | 0.2297 | |
| 403 | V | A | 0.9253 | |
| 404 | G | A | -0.2230 | |
| 405 | S | A | 0.0000 | |
| 406 | D | A | 0.0000 | |
| 407 | A | A | 0.0000 | |
| 408 | D | A | 0.0000 | |
| 409 | V | A | 0.0000 | |
| 410 | V | A | 0.0000 | |
| 411 | I | A | 0.0000 | |
| 412 | W | A | 0.0000 | |
| 413 | D | A | 0.0000 | |
| 414 | P | A | -1.3105 | |
| 415 | D | A | -2.3154 | |
| 416 | K | A | -1.5229 | |
| 417 | M | A | -1.0421 | |
| 418 | K | A | -1.2633 | |
| 419 | T | A | -1.3764 | |
| 420 | I | A | 0.0000 | |
| 421 | T | A | -1.7488 | |
| 422 | A | A | -1.8019 | |
| 423 | K | A | -2.3608 | |
| 424 | S | A | -1.2677 | |
| 425 | H | A | -1.0839 | |
| 426 | K | A | -1.0166 | |
| 427 | S | A | -0.9423 | |
| 428 | T | A | -0.8394 | |
| 429 | V | A | 0.0000 | |
| 430 | E | A | -1.9001 | |
| 431 | Y | A | -1.1362 | |
| 432 | N | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | F | A | 0.0000 | |
| 435 | E | A | -2.2002 | |
| 436 | G | A | -1.6415 | |
| 437 | M | A | -1.5881 | |
| 438 | E | A | -2.2174 | |
| 439 | C | A | 0.0000 | |
| 440 | H | A | -1.6068 | |
| 441 | G | A | 0.0000 | |
| 442 | S | A | 0.0000 | |
| 443 | P | A | 0.0000 | |
| 444 | L | A | -0.8180 | |
| 445 | V | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | I | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | Q | A | -0.9824 | |
| 450 | G | A | 0.0000 | |
| 451 | K | A | -1.3889 | |
| 452 | I | A | -0.4166 | |
| 453 | V | A | 0.0000 | |
| 454 | F | A | 0.0000 | |
| 455 | E | A | -2.5164 | |
| 456 | D | A | -2.9294 | |
| 457 | G | A | -2.2350 | |
| 458 | N | A | -2.3206 | |
| 459 | I | A | -1.1002 | |
| 460 | S | A | -0.5086 | |
| 461 | V | A | -0.3599 | |
| 462 | S | A | -0.9921 | |
| 463 | K | A | -2.2555 | |
| 464 | G | A | -1.7805 | |
| 465 | M | A | -0.9414 | |
| 466 | G | A | 0.0000 | |
| 467 | R | A | -0.8670 | |
| 468 | F | A | -0.3686 | |
| 469 | I | A | -0.0924 | |
| 470 | P | A | -0.8888 | |
| 471 | R | A | 0.0000 | |
| 472 | K | A | -2.0269 | |
| 473 | P | A | -0.9105 | |
| 474 | F | A | -0.4319 | |
| 475 | P | A | 0.0000 | |
| 476 | E | A | -2.7945 | |
| 477 | H | A | -2.0815 | |
| 478 | L | A | 0.0000 | |
| 479 | Y | A | 0.0000 | |
| 480 | Q | A | -3.1255 | |
| 481 | R | A | -3.1919 | |
| 482 | V | A | 0.0000 | |
| 483 | R | A | -2.6953 | |
| 484 | I | A | -1.1116 | |
| 485 | R | A | -0.7648 | |
| 486 | S | A | -0.5467 | |
| 487 | K | A | -0.6094 | |
| 488 | V | A | 1.7351 | |
| 489 | F | A | 2.2676 | |
| 490 | G | A | 0.9317 | |
| 491 | L | A | 1.4971 | |
| 492 | H | A | 0.1941 | |
| 493 | S | A | 0.1782 | |
| 494 | V | A | 0.9381 | |
| 495 | S | A | -0.4130 | |
| 496 | R | A | -1.2609 | |
| 497 | G | A | -0.6454 | |
| 498 | M | A | 0.4868 | |
| 499 | Y | A | 0.6984 | |
| 500 | D | A | -0.8272 | |
| 501 | G | A | -0.1880 | |
| 502 | P | A | 0.4169 | |
| 503 | V | A | 1.9492 | |
| 504 | Y | A | 1.6835 | |
| 505 | E | A | 0.0291 | |
| 506 | V | A | 1.3569 | |
| 507 | P | A | 0.2555 | |
| 508 | A | A | -0.2286 | |
| 509 | T | A | -0.5774 | |
| 510 | P | A | -1.3913 | |
| 511 | K | A | -2.2882 | |
| 512 | H | A | -1.8860 | |
| 513 | A | A | -0.9844 | |
| 514 | A | A | -0.5439 | |
| 515 | P | A | -0.4158 | |
| 516 | A | A | -0.2123 | |
| 517 | P | A | -0.5484 | |
| 518 | S | A | -0.7585 | |
| 519 | A | A | -0.9683 | |
| 520 | K | A | -1.9040 | |
| 521 | S | A | -1.2687 | |
| 522 | S | A | -1.0396 | |
| 523 | P | A | -0.8574 | |
| 524 | S | A | -1.5454 | |
| 525 | K | A | -2.6759 | |
| 526 | H | A | -2.5459 | |
| 527 | Q | A | -2.3093 | |
| 528 | P | A | -1.1363 | |
| 529 | P | A | -0.6292 | |
| 530 | P | A | -0.3044 | |
| 531 | I | A | 0.7569 | |
| 532 | R | A | -1.4869 | |
| 533 | N | A | -1.6094 | |
| 534 | L | A | -0.1984 | |
| 535 | H | A | -1.6944 | |
| 536 | Q | A | -2.0687 | |
| 537 | S | A | -1.0070 | |
| 538 | N | A | -0.7607 | |
| 539 | F | A | 1.3854 | |
| 540 | S | A | 0.9040 | |
| 541 | L | A | 1.5807 | |
| 542 | S | A | 0.3590 | |
| 543 | G | A | -0.2353 | |
| 544 | A | A | -0.7834 | |
| 545 | Q | A | -1.2563 | |
| 546 | I | A | 0.2474 | |
| 547 | D | A | -1.8128 | |
| 548 | D | A | -3.0776 | |
| 549 | N | A | -2.9874 | |
| 550 | N | A | -3.1620 | |
| 551 | P | A | -2.8859 | |
| 552 | R | A | -3.6977 | |
| 553 | R | A | -3.2287 | |
| 554 | T | A | -1.8777 | |
| 555 | G | A | -1.8777 | |
| 556 | H | A | -1.6292 | |
| 557 | R | A | -1.0064 | |
| 558 | I | A | 1.6364 | |
| 559 | V | A | 2.1072 | |
| 560 | A | A | 0.9539 | |
| 561 | P | A | 0.1740 | |
| 562 | P | A | -0.7220 | |
| 563 | G | A | -1.2653 | |
| 564 | G | A | -1.8605 | |
| 565 | R | A | -2.4180 | |
| 566 | S | A | -1.3591 | |
| 567 | N | A | -0.9534 | |
| 568 | I | A | 1.2244 | |
| 569 | T | A | 0.8137 | |
| 570 | S | A | 0.6910 | |
| 571 | L | A | 1.4123 | |
| 572 | G | A | 0.2274 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.431 | 3.7473 | View | CSV | PDB |
| 4.5 | -0.4845 | 3.7473 | View | CSV | PDB |
| 5.0 | -0.5475 | 3.7473 | View | CSV | PDB |
| 5.5 | -0.6074 | 3.758 | View | CSV | PDB |
| 6.0 | -0.6513 | 3.8262 | View | CSV | PDB |
| 6.5 | -0.672 | 3.9377 | View | CSV | PDB |
| 7.0 | -0.6727 | 4.0756 | View | CSV | PDB |
| 7.5 | -0.6614 | 4.2196 | View | CSV | PDB |
| 8.0 | -0.6433 | 4.363 | View | CSV | PDB |
| 8.5 | -0.6186 | 4.5053 | View | CSV | PDB |
| 9.0 | -0.5859 | 4.6463 | 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