| Chain sequence(s) | MSEDTVPEAASPPPSQGQHYFDRFSEDDPEYLRLRNRAADLRQDFNLMEQKKRVTMILQSPSFREELEGLIQEQMKKGNNSSNIWALRQIADFMASTSHAVFPASSMNFSMMTPINDLHTADSLNLAKGERLMRCKISSVYRLLDLYGWAQLSDTYVTLRVSKEQDHFLISPKGVSCSEVTASSLIKVNILGEVVEKGSSCFPVDTTGFSLHSAIYAARPDVRCAIHLHTPATAAVSAMKCGLLPVSHNALLVGDMAYYDFNGEMEQEADRINLQKCLGPTCKILVLRNHGMVALGDTVEEAFYKVFHLQAACEVQVSALSSAGGTENLILLEQEKHRPHEVGSVQWAGSTFGPMQKSRLGEHEFEALMRMLDNLGYRTGYTYRHPFVQEKTKHKSEVEIPATVTAFVFEEDGVPVPALRQHAQKQQKEKTRWLNTPNTYLRVNVADEVQRNMGSPRPKTTWMKADEVEKSSSGMPIRIENPNQFVPLYTDPQEVLDMRNKIREQNRQDIKSAGPQSQLLASVIAEKSRSPSTESQLASKGDADTKDELEETVPNPFSQLTDQELEEYKKEVERKKLEQEQEGEKDAATEEPGSPVKSTPASPVQSPTRAGTKSPAVSPSKASEDAKKTEVSEANTEPEPEKPEGVVVNGKEEEPCVEEVLSKGPGQMTTNADTDGDSYKDKTESVTSGPLSPEGSPSKSPSKKKKKFRTPSFLKKSKKKEKVES 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] (00:00:00)
[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 partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:35)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/4be959e704b1e9/tmp/folded.pdb (00:08:35)
[INFO] Main: Simulation completed successfully. (00:12:23)
|
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 | 0.3658 | |
| 2 | S | A | -1.0629 | |
| 3 | E | A | -2.3824 | |
| 4 | D | A | -2.2270 | |
| 5 | T | A | -0.8379 | |
| 6 | V | A | 0.5066 | |
| 7 | P | A | -0.4816 | |
| 8 | E | A | -1.4852 | |
| 9 | A | A | -0.7033 | |
| 10 | A | A | -0.6048 | |
| 11 | S | A | -0.5971 | |
| 12 | P | A | -0.5465 | |
| 13 | P | A | -0.7455 | |
| 14 | P | A | -1.0647 | |
| 15 | S | A | -1.3424 | |
| 16 | Q | A | -2.0503 | |
| 17 | G | A | -1.7914 | |
| 18 | Q | A | -2.3907 | |
| 19 | H | A | -1.4631 | |
| 20 | Y | A | 0.6807 | |
| 21 | F | A | 1.0859 | |
| 22 | D | A | -1.6176 | |
| 23 | R | A | -1.4464 | |
| 24 | F | A | 0.1891 | |
| 25 | S | A | -1.4101 | |
| 26 | E | A | -2.9190 | |
| 27 | D | A | -2.9345 | |
| 28 | D | A | -2.4647 | |
| 29 | P | A | -2.5031 | |
| 30 | E | A | -3.1112 | |
| 31 | Y | A | -2.0738 | |
| 32 | L | A | -2.6207 | |
| 33 | R | A | -3.1623 | |
| 34 | L | A | -1.9048 | |
| 35 | R | A | -3.0046 | |
| 36 | N | A | -3.1185 | |
| 37 | R | A | -2.7150 | |
| 38 | A | A | -1.4802 | |
| 39 | A | A | -1.7313 | |
| 40 | D | A | -2.4167 | |
| 41 | L | A | -0.9082 | |
| 42 | R | A | -1.8579 | |
| 43 | Q | A | -2.5458 | |
| 44 | D | A | -2.2155 | |
| 45 | F | A | -0.8889 | |
| 46 | N | A | -2.3492 | |
| 47 | L | A | -1.6648 | |
| 48 | M | A | -1.8891 | |
| 49 | E | A | -3.2971 | |
| 50 | Q | A | -3.2238 | |
| 51 | K | A | -3.1534 | |
| 52 | K | A | -3.4589 | |
| 53 | R | A | -2.9317 | |
| 54 | V | A | -1.1184 | |
| 55 | T | A | -1.1412 | |
| 56 | M | A | -0.3304 | |
| 57 | I | A | 0.0868 | |
| 58 | L | A | -0.0357 | |
| 59 | Q | A | -0.8706 | |
| 60 | S | A | -0.5926 | |
| 61 | P | A | -1.5178 | |
| 62 | S | A | -1.9004 | |
| 63 | F | A | -1.7190 | |
| 64 | R | A | -3.3597 | |
| 65 | E | A | -3.8729 | |
| 66 | E | A | -3.3929 | |
| 67 | L | A | -2.2515 | |
| 68 | E | A | -3.3256 | |
| 69 | G | A | -2.4170 | |
| 70 | L | A | -1.4520 | |
| 71 | I | A | -0.9657 | |
| 72 | Q | A | -2.0168 | |
| 73 | E | A | -2.3981 | |
| 74 | Q | A | -2.0081 | |
| 75 | M | A | -1.1112 | |
| 76 | K | A | -2.8257 | |
| 77 | K | A | -3.3534 | |
| 78 | G | A | -2.5887 | |
| 79 | N | A | -2.4570 | |
| 80 | N | A | -2.2269 | |
| 81 | S | A | -0.7995 | |
| 82 | S | A | -0.4401 | |
| 83 | N | A | -0.2925 | |
| 84 | I | A | 0.6691 | |
| 85 | W | A | 0.7501 | |
| 86 | A | A | 0.3375 | |
| 87 | L | A | 0.6558 | |
| 88 | R | A | -0.6905 | |
| 89 | Q | A | 0.0186 | |
| 90 | I | A | 1.6646 | |
| 91 | A | A | 0.6073 | |
| 92 | D | A | 0.1211 | |
| 93 | F | A | 1.9509 | |
| 94 | M | A | 1.4267 | |
| 95 | A | A | 0.6167 | |
| 96 | S | A | 0.2248 | |
| 97 | T | A | -0.0323 | |
| 98 | S | A | -0.4781 | |
| 99 | H | A | -0.4567 | |
| 100 | A | A | 0.7752 | |
| 101 | V | A | 2.4375 | |
| 102 | F | A | 2.5722 | |
| 103 | P | A | 1.0308 | |
| 104 | A | A | 0.7313 | |
| 105 | S | A | 0.0196 | |
| 106 | S | A | 0.0875 | |
| 107 | M | A | 0.7606 | |
| 108 | N | A | 0.1599 | |
| 109 | F | A | 1.8459 | |
| 110 | S | A | 1.1168 | |
| 111 | M | A | 1.5240 | |
| 112 | M | A | 0.9541 | |
| 113 | T | A | -0.3590 | |
| 114 | P | A | -1.0351 | |
| 115 | I | A | 0.0000 | |
| 116 | N | A | -1.3551 | |
| 117 | D | A | -1.3051 | |
| 118 | L | A | 0.0000 | |
| 119 | H | A | -1.4260 | |
| 120 | T | A | -0.7837 | |
| 121 | A | A | -0.7239 | |
| 122 | D | A | -1.6749 | |
| 123 | S | A | -0.9164 | |
| 124 | L | A | 0.1596 | |
| 125 | N | A | -1.1043 | |
| 126 | L | A | -0.9055 | |
| 127 | A | A | -0.9357 | |
| 128 | K | A | -1.8068 | |
| 129 | G | A | -1.1211 | |
| 130 | E | A | 0.0000 | |
| 131 | R | A | -0.8220 | |
| 132 | L | A | -0.1706 | |
| 133 | M | A | -0.1562 | |
| 134 | R | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | K | A | -0.2901 | |
| 137 | I | A | 0.0000 | |
| 138 | S | A | 0.0000 | |
| 139 | S | A | 0.0000 | |
| 140 | V | A | 0.0000 | |
| 141 | Y | A | 0.0000 | |
| 142 | R | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | D | A | -0.5207 | |
| 146 | L | A | 0.4694 | |
| 147 | Y | A | 0.5055 | |
| 148 | G | A | -0.4288 | |
| 149 | W | A | -0.2394 | |
| 150 | A | A | -0.6975 | |
| 151 | Q | A | -1.1269 | |
| 152 | L | A | 0.2982 | |
| 153 | S | A | -0.7968 | |
| 154 | D | A | -1.9215 | |
| 155 | T | A | 0.0000 | |
| 156 | Y | A | 0.0000 | |
| 157 | V | A | 0.0000 | |
| 158 | T | A | 0.0000 | |
| 159 | L | A | 0.0000 | |
| 160 | R | A | 0.0000 | |
| 161 | V | A | 0.0000 | |
| 162 | S | A | -2.2793 | |
| 163 | K | A | -3.4186 | |
| 164 | E | A | -3.3907 | |
| 165 | Q | A | -2.8289 | |
| 166 | D | A | -1.9758 | |
| 167 | H | A | -1.1890 | |
| 168 | F | A | 0.0000 | |
| 169 | L | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | S | A | 0.0000 | |
| 172 | P | A | 0.0000 | |
| 173 | K | A | -1.1985 | |
| 174 | G | A | -0.9022 | |
| 175 | V | A | -0.5216 | |
| 176 | S | A | -1.0250 | |
| 177 | C | A | 0.0000 | |
| 178 | S | A | -1.0069 | |
| 179 | E | A | -1.9305 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | S | A | -0.9183 | |
| 184 | S | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | I | A | 0.0000 | |
| 187 | K | A | -0.5295 | |
| 188 | V | A | 0.0000 | |
| 189 | N | A | -0.0740 | |
| 190 | I | A | 0.5848 | |
| 191 | L | A | 1.1846 | |
| 192 | G | A | 0.0000 | |
| 193 | E | A | -0.7537 | |
| 194 | V | A | -0.0545 | |
| 195 | V | A | 0.2748 | |
| 196 | E | A | -0.8977 | |
| 197 | K | A | -1.3950 | |
| 198 | G | A | -0.8655 | |
| 199 | S | A | -0.4003 | |
| 200 | S | A | 0.1083 | |
| 201 | C | A | 0.8057 | |
| 202 | F | A | 0.7975 | |
| 203 | P | A | -0.0203 | |
| 204 | V | A | -0.5487 | |
| 205 | D | A | -0.7138 | |
| 206 | T | A | -0.4337 | |
| 207 | T | A | -0.9282 | |
| 208 | G | A | -1.0567 | |
| 209 | F | A | 0.0000 | |
| 210 | S | A | -0.6388 | |
| 211 | L | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | S | A | 0.0000 | |
| 214 | A | A | 0.0000 | |
| 215 | I | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | A | A | -0.3282 | |
| 218 | A | A | -0.5871 | |
| 219 | R | A | 0.0000 | |
| 220 | P | A | -1.3728 | |
| 221 | D | A | -1.8767 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -1.4286 | |
| 224 | C | A | 0.0000 | |
| 225 | A | A | 0.0000 | |
| 226 | I | A | 0.0000 | |
| 227 | H | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | H | A | -1.1027 | |
| 230 | T | A | 0.0000 | |
| 231 | P | A | -0.5878 | |
| 232 | A | A | 0.0000 | |
| 233 | T | A | 0.0000 | |
| 234 | A | A | -0.6168 | |
| 235 | A | A | -0.3951 | |
| 236 | V | A | 0.0000 | |
| 237 | S | A | 0.0000 | |
| 238 | A | A | -0.9645 | |
| 239 | M | A | -0.7251 | |
| 240 | K | A | -1.5435 | |
| 241 | C | A | -0.4873 | |
| 242 | G | A | 0.0000 | |
| 243 | L | A | 0.2259 | |
| 244 | L | A | 0.7825 | |
| 245 | P | A | 0.2429 | |
| 246 | V | A | 1.0425 | |
| 247 | S | A | 0.1623 | |
| 248 | H | A | -1.3310 | |
| 249 | N | A | -0.5206 | |
| 250 | A | A | -0.3231 | |
| 251 | L | A | 0.0000 | |
| 252 | L | A | -0.8039 | |
| 253 | V | A | 0.0000 | |
| 254 | G | A | -1.5730 | |
| 255 | D | A | -1.8248 | |
| 256 | M | A | -0.5948 | |
| 257 | A | A | 0.0000 | |
| 258 | Y | A | 0.2506 | |
| 259 | Y | A | 0.0000 | |
| 260 | D | A | -2.4086 | |
| 261 | F | A | -2.1290 | |
| 262 | N | A | -2.6595 | |
| 263 | G | A | -2.5316 | |
| 264 | E | A | -3.1430 | |
| 265 | M | A | 0.0000 | |
| 266 | E | A | -3.5016 | |
| 267 | Q | A | -3.0860 | |
| 268 | E | A | -2.7049 | |
| 269 | A | A | -1.4654 | |
| 270 | D | A | -2.5088 | |
| 271 | R | A | -1.8907 | |
| 272 | I | A | -0.2269 | |
| 273 | N | A | -1.5332 | |
| 274 | L | A | 0.0000 | |
| 275 | Q | A | -1.6297 | |
| 276 | K | A | -2.0858 | |
| 277 | C | A | -1.0572 | |
| 278 | L | A | 0.0000 | |
| 279 | G | A | -0.9794 | |
| 280 | P | A | -0.8084 | |
| 281 | T | A | -0.5925 | |
| 282 | C | A | -0.7010 | |
| 283 | K | A | -0.8102 | |
| 284 | I | A | 0.0000 | |
| 285 | L | A | 0.0000 | |
| 286 | V | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | R | A | -1.9777 | |
| 289 | N | A | -2.0851 | |
| 290 | H | A | -1.5674 | |
| 291 | G | A | 0.0000 | |
| 292 | M | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | A | A | 0.0000 | |
| 295 | L | A | 0.0000 | |
| 296 | G | A | 0.0000 | |
| 297 | D | A | -1.5536 | |
| 298 | T | A | -0.9703 | |
| 299 | V | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | E | A | -0.8837 | |
| 302 | A | A | 0.0000 | |
| 303 | F | A | 0.0000 | |
| 304 | Y | A | 0.0000 | |
| 305 | K | A | -0.0438 | |
| 306 | V | A | 0.0000 | |
| 307 | F | A | 0.7050 | |
| 308 | H | A | -0.0911 | |
| 309 | L | A | 0.0000 | |
| 310 | Q | A | 0.0000 | |
| 311 | A | A | -0.2451 | |
| 312 | A | A | 0.0000 | |
| 313 | C | A | 0.0000 | |
| 314 | E | A | -0.7952 | |
| 315 | V | A | 0.3269 | |
| 316 | Q | A | 0.0000 | |
| 317 | V | A | 0.3188 | |
| 318 | S | A | -0.0338 | |
| 319 | A | A | 0.1514 | |
| 320 | L | A | -0.1967 | |
| 321 | S | A | -0.1904 | |
| 322 | S | A | -0.4847 | |
| 323 | A | A | -0.7802 | |
| 324 | G | A | -1.0598 | |
| 325 | G | A | -1.1986 | |
| 326 | T | A | -0.9036 | |
| 327 | E | A | -2.0270 | |
| 328 | N | A | -1.6068 | |
| 329 | L | A | 0.2859 | |
| 330 | I | A | 2.0169 | |
| 331 | L | A | 1.4769 | |
| 332 | L | A | -0.1655 | |
| 333 | E | A | -1.9527 | |
| 334 | Q | A | -3.2514 | |
| 335 | E | A | -3.8256 | |
| 336 | K | A | -3.6219 | |
| 337 | H | A | -3.1541 | |
| 338 | R | A | -3.5159 | |
| 339 | P | A | -2.1177 | |
| 340 | H | A | -1.7901 | |
| 341 | E | A | -1.8583 | |
| 342 | V | A | 0.0703 | |
| 343 | G | A | -0.9019 | |
| 344 | S | A | -0.3960 | |
| 345 | V | A | 0.6154 | |
| 346 | Q | A | -0.0980 | |
| 347 | W | A | 0.8983 | |
| 348 | A | A | 0.4331 | |
| 349 | G | A | -0.1783 | |
| 350 | S | A | -0.0448 | |
| 351 | T | A | 0.1753 | |
| 352 | F | A | 1.0164 | |
| 353 | G | A | -0.0112 | |
| 354 | P | A | -0.3846 | |
| 355 | M | A | -0.3768 | |
| 356 | Q | A | -2.0914 | |
| 357 | K | A | -2.4000 | |
| 358 | S | A | -1.7657 | |
| 359 | R | A | -2.4087 | |
| 360 | L | A | -1.0662 | |
| 361 | G | A | 0.0000 | |
| 362 | E | A | -1.6791 | |
| 363 | H | A | -1.4891 | |
| 364 | E | A | -1.3859 | |
| 365 | F | A | 0.0000 | |
| 366 | E | A | 0.0000 | |
| 367 | A | A | -0.0527 | |
| 368 | L | A | -0.3813 | |
| 369 | M | A | 0.0000 | |
| 370 | R | A | -0.3164 | |
| 371 | M | A | -0.1190 | |
| 372 | L | A | 0.0000 | |
| 373 | D | A | -1.6196 | |
| 374 | N | A | -1.2965 | |
| 375 | L | A | 0.1576 | |
| 376 | G | A | -0.2857 | |
| 377 | Y | A | 0.0000 | |
| 378 | R | A | -2.3632 | |
| 379 | T | A | 0.0000 | |
| 380 | G | A | -1.0656 | |
| 381 | Y | A | 0.0000 | |
| 382 | T | A | -0.1109 | |
| 383 | Y | A | -0.0745 | |
| 384 | R | A | -0.6960 | |
| 385 | H | A | 0.4308 | |
| 386 | P | A | 0.7751 | |
| 387 | F | A | 1.6055 | |
| 388 | V | A | 1.2449 | |
| 389 | Q | A | -1.1434 | |
| 390 | E | A | -2.6482 | |
| 391 | K | A | -3.0900 | |
| 392 | T | A | -3.0855 | |
| 393 | K | A | -3.5690 | |
| 394 | H | A | -3.2736 | |
| 395 | K | A | -3.3861 | |
| 396 | S | A | -2.0025 | |
| 397 | E | A | -1.9953 | |
| 398 | V | A | 0.0908 | |
| 399 | E | A | -0.9903 | |
| 400 | I | A | 1.6806 | |
| 401 | P | A | 0.9485 | |
| 402 | A | A | 0.6198 | |
| 403 | T | A | 1.1878 | |
| 404 | V | A | 2.3721 | |
| 405 | T | A | 1.4797 | |
| 406 | A | A | 2.1301 | |
| 407 | F | A | 3.3558 | |
| 408 | V | A | 2.9939 | |
| 409 | F | A | 1.7718 | |
| 410 | E | A | -1.6326 | |
| 411 | E | A | -2.9546 | |
| 412 | D | A | -2.8459 | |
| 413 | G | A | -1.0756 | |
| 414 | V | A | 1.3579 | |
| 415 | P | A | 0.6862 | |
| 416 | V | A | 1.5112 | |
| 417 | P | A | 0.3293 | |
| 418 | A | A | 0.1104 | |
| 419 | L | A | 0.3278 | |
| 420 | R | A | -1.8985 | |
| 421 | Q | A | -2.7879 | |
| 422 | H | A | -2.6670 | |
| 423 | A | A | -2.6069 | |
| 424 | Q | A | -3.7643 | |
| 425 | K | A | -4.8304 | |
| 426 | Q | A | -4.5276 | |
| 427 | Q | A | -4.5264 | |
| 428 | K | A | -4.9499 | |
| 429 | E | A | -4.9870 | |
| 430 | K | A | -4.2281 | |
| 431 | T | A | -2.6146 | |
| 432 | R | A | -3.0835 | |
| 433 | W | A | -0.0893 | |
| 434 | L | A | 0.7263 | |
| 435 | N | A | -0.8129 | |
| 436 | T | A | -0.8011 | |
| 437 | P | A | -1.1461 | |
| 438 | N | A | -1.6285 | |
| 439 | T | A | -0.5512 | |
| 440 | Y | A | 0.4333 | |
| 441 | L | A | -0.3246 | |
| 442 | R | A | -0.9036 | |
| 443 | V | A | -0.5548 | |
| 444 | N | A | -1.8446 | |
| 445 | V | A | -1.1262 | |
| 446 | A | A | -1.6281 | |
| 447 | D | A | -2.5782 | |
| 448 | E | A | -2.1404 | |
| 449 | V | A | -0.6662 | |
| 450 | Q | A | -2.2604 | |
| 451 | R | A | -2.8135 | |
| 452 | N | A | -1.9578 | |
| 453 | M | A | -0.4243 | |
| 454 | G | A | -1.1582 | |
| 455 | S | A | -0.9910 | |
| 456 | P | A | -2.1985 | |
| 457 | R | A | -2.8927 | |
| 458 | P | A | -2.5908 | |
| 459 | K | A | -2.4931 | |
| 460 | T | A | -1.4831 | |
| 461 | T | A | -0.2446 | |
| 462 | W | A | 0.7509 | |
| 463 | M | A | 0.0139 | |
| 464 | K | A | -1.2029 | |
| 465 | A | A | -1.8263 | |
| 466 | D | A | -3.2118 | |
| 467 | E | A | -2.8403 | |
| 468 | V | A | -1.6870 | |
| 469 | E | A | -2.8413 | |
| 470 | K | A | -2.9046 | |
| 471 | S | A | -1.4873 | |
| 472 | S | A | -1.1914 | |
| 473 | S | A | -0.7368 | |
| 474 | G | A | 0.1015 | |
| 475 | M | A | 1.0139 | |
| 476 | P | A | 0.9476 | |
| 477 | I | A | 1.3723 | |
| 478 | R | A | -1.1699 | |
| 479 | I | A | -1.2563 | |
| 480 | E | A | -2.9595 | |
| 481 | N | A | -2.5629 | |
| 482 | P | A | -1.3346 | |
| 483 | N | A | -1.0147 | |
| 484 | Q | A | -0.6154 | |
| 485 | F | A | 1.9791 | |
| 486 | V | A | 2.4359 | |
| 487 | P | A | 1.8076 | |
| 488 | L | A | 2.4403 | |
| 489 | Y | A | 2.0357 | |
| 490 | T | A | 0.5718 | |
| 491 | D | A | -0.9593 | |
| 492 | P | A | -1.3006 | |
| 493 | Q | A | -2.3627 | |
| 494 | E | A | -2.8290 | |
| 495 | V | A | -1.4640 | |
| 496 | L | A | -1.1377 | |
| 497 | D | A | -2.9345 | |
| 498 | M | A | -1.8731 | |
| 499 | R | A | -2.8277 | |
| 500 | N | A | -3.0556 | |
| 501 | K | A | -2.9427 | |
| 502 | I | A | -2.1385 | |
| 503 | R | A | -3.9405 | |
| 504 | E | A | -3.5527 | |
| 505 | Q | A | -3.1664 | |
| 506 | N | A | -4.0282 | |
| 507 | R | A | -4.1823 | |
| 508 | Q | A | -3.4329 | |
| 509 | D | A | -3.1250 | |
| 510 | I | A | -0.8671 | |
| 511 | K | A | -2.2207 | |
| 512 | S | A | -1.5545 | |
| 513 | A | A | -1.1171 | |
| 514 | G | A | -1.1761 | |
| 515 | P | A | -1.2863 | |
| 516 | Q | A | -1.6511 | |
| 517 | S | A | -0.6747 | |
| 518 | Q | A | -0.4408 | |
| 519 | L | A | 1.6930 | |
| 520 | L | A | 2.6395 | |
| 521 | A | A | 1.6235 | |
| 522 | S | A | 1.8244 | |
| 523 | V | A | 3.0729 | |
| 524 | I | A | 2.4933 | |
| 525 | A | A | 0.0005 | |
| 526 | E | A | -2.2464 | |
| 527 | K | A | -2.8322 | |
| 528 | S | A | -2.4801 | |
| 529 | R | A | -2.7588 | |
| 530 | S | A | -1.3373 | |
| 531 | P | A | -0.9541 | |
| 532 | S | A | -1.1190 | |
| 533 | T | A | -1.1779 | |
| 534 | E | A | -2.2560 | |
| 535 | S | A | -1.3901 | |
| 536 | Q | A | -0.8653 | |
| 537 | L | A | 0.8675 | |
| 538 | A | A | 0.0607 | |
| 539 | S | A | -0.7895 | |
| 540 | K | A | -2.4372 | |
| 541 | G | A | -2.1840 | |
| 542 | D | A | -2.7443 | |
| 543 | A | A | -1.7845 | |
| 544 | D | A | -2.5538 | |
| 545 | T | A | -2.4073 | |
| 546 | K | A | -3.4549 | |
| 547 | D | A | -3.3368 | |
| 548 | E | A | -3.0410 | |
| 549 | L | A | -1.1773 | |
| 550 | E | A | -2.3550 | |
| 551 | E | A | -2.1270 | |
| 552 | T | A | -0.6163 | |
| 553 | V | A | 0.5628 | |
| 554 | P | A | -0.1447 | |
| 555 | N | A | -0.7057 | |
| 556 | P | A | 0.0398 | |
| 557 | F | A | 1.1286 | |
| 558 | S | A | -0.1573 | |
| 559 | Q | A | -0.8246 | |
| 560 | L | A | 0.0142 | |
| 561 | T | A | -1.3646 | |
| 562 | D | A | -2.8861 | |
| 563 | Q | A | -3.1881 | |
| 564 | E | A | -2.8117 | |
| 565 | L | A | -2.2262 | |
| 566 | E | A | -3.9919 | |
| 567 | E | A | -3.8751 | |
| 568 | Y | A | -1.9589 | |
| 569 | K | A | -3.6079 | |
| 570 | K | A | -4.3795 | |
| 571 | E | A | -2.9240 | |
| 572 | V | A | -2.0806 | |
| 573 | E | A | -4.0343 | |
| 574 | R | A | -4.2855 | |
| 575 | K | A | -4.5895 | |
| 576 | K | A | -4.4694 | |
| 577 | L | A | -3.0634 | |
| 578 | E | A | -4.5151 | |
| 579 | Q | A | -5.1248 | |
| 580 | E | A | -5.1121 | |
| 581 | Q | A | -5.1156 | |
| 582 | E | A | -5.2713 | |
| 583 | G | A | -4.5471 | |
| 584 | E | A | -4.9034 | |
| 585 | K | A | -4.5234 | |
| 586 | D | A | -3.6655 | |
| 587 | A | A | -2.1224 | |
| 588 | A | A | -1.7336 | |
| 589 | T | A | -1.8932 | |
| 590 | E | A | -2.8156 | |
| 591 | E | A | -2.9435 | |
| 592 | P | A | -1.8554 | |
| 593 | G | A | -1.3695 | |
| 594 | S | A | -0.2863 | |
| 595 | P | A | 0.0515 | |
| 596 | V | A | 0.7120 | |
| 597 | K | A | -0.9769 | |
| 598 | S | A | -0.7654 | |
| 599 | T | A | -0.6541 | |
| 600 | P | A | -0.3538 | |
| 601 | A | A | -0.2318 | |
| 602 | S | A | 0.0615 | |
| 603 | P | A | 0.2571 | |
| 604 | V | A | 0.9851 | |
| 605 | Q | A | -0.5554 | |
| 606 | S | A | -0.5889 | |
| 607 | P | A | -1.0201 | |
| 608 | T | A | -1.1266 | |
| 609 | R | A | -1.9884 | |
| 610 | A | A | -1.0877 | |
| 611 | G | A | -1.1794 | |
| 612 | T | A | -1.2482 | |
| 613 | K | A | -2.0002 | |
| 614 | S | A | -1.2061 | |
| 615 | P | A | -0.3649 | |
| 616 | A | A | 0.8020 | |
| 617 | V | A | 1.6009 | |
| 618 | S | A | 0.4468 | |
| 619 | P | A | -0.4327 | |
| 620 | S | A | -1.2071 | |
| 621 | K | A | -1.8731 | |
| 622 | A | A | -1.2802 | |
| 623 | S | A | -1.7902 | |
| 624 | E | A | -2.9010 | |
| 625 | D | A | -3.1784 | |
| 626 | A | A | -2.4934 | |
| 627 | K | A | -2.8509 | |
| 628 | K | A | -2.7744 | |
| 629 | T | A | -1.8775 | |
| 630 | E | A | -1.3679 | |
| 631 | V | A | 0.1217 | |
| 632 | S | A | -0.5177 | |
| 633 | E | A | -1.7664 | |
| 634 | A | A | -1.6349 | |
| 635 | N | A | -2.0027 | |
| 636 | T | A | -1.6133 | |
| 637 | E | A | -2.6304 | |
| 638 | P | A | -2.2289 | |
| 639 | E | A | -2.8210 | |
| 640 | P | A | -2.3923 | |
| 641 | E | A | -3.1709 | |
| 642 | K | A | -3.1337 | |
| 643 | P | A | -2.5561 | |
| 644 | E | A | -2.1184 | |
| 645 | G | A | -0.2035 | |
| 646 | V | A | 2.4435 | |
| 647 | V | A | 3.1923 | |
| 648 | V | A | 2.2380 | |
| 649 | N | A | -0.5741 | |
| 650 | G | A | -1.9017 | |
| 651 | K | A | -3.5011 | |
| 652 | E | A | -4.1015 | |
| 653 | E | A | -4.0943 | |
| 654 | E | A | -3.0676 | |
| 655 | P | A | -0.7894 | |
| 656 | C | A | 0.7740 | |
| 657 | V | A | 0.8617 | |
| 658 | E | A | -1.3209 | |
| 659 | E | A | -1.1123 | |
| 660 | V | A | 1.1136 | |
| 661 | L | A | 1.5770 | |
| 662 | S | A | 0.0592 | |
| 663 | K | A | -1.7630 | |
| 664 | G | A | -1.5598 | |
| 665 | P | A | -1.2882 | |
| 666 | G | A | -1.0622 | |
| 667 | Q | A | -0.9649 | |
| 668 | M | A | 0.2979 | |
| 669 | T | A | -0.1861 | |
| 670 | T | A | -0.6049 | |
| 671 | N | A | -1.6522 | |
| 672 | A | A | -1.5049 | |
| 673 | D | A | -2.4376 | |
| 674 | T | A | -1.8935 | |
| 675 | D | A | -2.8613 | |
| 676 | G | A | -2.4080 | |
| 677 | D | A | -2.3101 | |
| 678 | S | A | -1.1012 | |
| 679 | Y | A | -0.3052 | |
| 680 | K | A | -2.5155 | |
| 681 | D | A | -3.3382 | |
| 682 | K | A | -3.5333 | |
| 683 | T | A | -2.5673 | |
| 684 | E | A | -1.9984 | |
| 685 | S | A | -0.5866 | |
| 686 | V | A | 1.1868 | |
| 687 | T | A | 0.6596 | |
| 688 | S | A | -0.2079 | |
| 689 | G | A | -0.4289 | |
| 690 | P | A | 0.1885 | |
| 691 | L | A | 1.1811 | |
| 692 | S | A | -0.0244 | |
| 693 | P | A | -0.9971 | |
| 694 | E | A | -2.2506 | |
| 695 | G | A | -1.5474 | |
| 696 | S | A | -1.0196 | |
| 697 | P | A | -0.9136 | |
| 698 | S | A | -1.2949 | |
| 699 | K | A | -2.0381 | |
| 700 | S | A | -1.4211 | |
| 701 | P | A | -1.1891 | |
| 702 | S | A | -1.9846 | |
| 703 | K | A | -3.2586 | |
| 704 | K | A | -4.0341 | |
| 705 | K | A | -3.9764 | |
| 706 | K | A | -3.6687 | |
| 707 | K | A | -2.7221 | |
| 708 | F | A | -0.4376 | |
| 709 | R | A | -1.6554 | |
| 710 | T | A | -0.6453 | |
| 711 | P | A | 0.0390 | |
| 712 | S | A | 0.5667 | |
| 713 | F | A | 1.8687 | |
| 714 | L | A | 1.1480 | |
| 715 | K | A | -1.3171 | |
| 716 | K | A | -2.5753 | |
| 717 | S | A | -2.6400 | |
| 718 | K | A | -3.7593 | |
| 719 | K | A | -4.3794 | |
| 720 | K | A | -4.2458 | |
| 721 | E | A | -3.7006 | |
| 722 | K | A | -2.7370 | |
| 723 | V | A | -0.3851 | |
| 724 | E | A | -1.4562 | |
| 725 | S | A | -0.9820 |
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 | -0.6585 | 6.545 | View | CSV | PDB |
| 4.5 | -0.7606 | 6.5012 | View | CSV | PDB |
| 5.0 | -0.8917 | 6.4484 | View | CSV | PDB |
| 5.5 | -1.0247 | 6.3953 | View | CSV | PDB |
| 6.0 | -1.1296 | 6.3502 | View | CSV | PDB |
| 6.5 | -1.1853 | 6.3204 | View | CSV | PDB |
| 7.0 | -1.1892 | 6.3059 | View | CSV | PDB |
| 7.5 | -1.1556 | 6.3003 | View | CSV | PDB |
| 8.0 | -1.1016 | 6.2984 | View | CSV | PDB |
| 8.5 | -1.0352 | 6.2978 | View | CSV | PDB |
| 9.0 | -0.958 | 6.2976 | 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