| Chain sequence(s) |
A: SPNSQYLKTRILDIYTPEQRAGIEKSEDWRQFSRRMDTHFPKLMNELDSVYGNNEALLPMLEMLLAQAWQSYSQRNSSLKDIDIARENNPDWILSNKQVGGVCYVDLFAGDLKGLKDKIPYFQELGLTYLHLMPLFKCPEGKSDGGYAVSSYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAAGDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTFNSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCENLPQAHALIRAFNAVMRIAAPAVFFKSEAIVHPDQVVQYIGQDECQIGYNPLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFADEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGTAAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQDSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQDLRHMIAVRQSNPRFDGGRLVTFNTNNKHIIGYIRNNALLAFGNFSEYPQTVTAHTLQAMPFKAHDLIGGKTVSLNQDLTLQPYQVMWLEIA
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 |
| Mutated residues | CS345A |
| Energy difference between WT (input) and mutated protein (by FoldX) | 2.14522 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] FoldX: Building mutant model (00:02:55)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:03:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/73dc80ce127178a/tmp/folded.pdb (00:03:05)
[INFO] Main: Simulation completed successfully. (00:06:04)
|
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 | S | A | -1.0107 | |
| 2 | P | A | -0.6691 | |
| 3 | N | A | -1.7001 | |
| 4 | S | A | 0.0000 | |
| 5 | Q | A | -1.6544 | |
| 6 | Y | A | -0.3739 | |
| 7 | L | A | 0.0000 | |
| 8 | K | A | 0.0000 | |
| 9 | T | A | -0.8412 | |
| 10 | R | A | -1.5214 | |
| 11 | I | A | 0.0000 | |
| 12 | L | A | 0.0000 | |
| 13 | D | A | -1.2794 | |
| 14 | I | A | 0.8151 | |
| 15 | Y | A | -0.3786 | |
| 16 | T | A | -1.0276 | |
| 17 | P | A | -1.6658 | |
| 18 | E | A | -2.6619 | |
| 19 | Q | A | -2.2513 | |
| 20 | R | A | -2.1400 | |
| 21 | A | A | -2.0425 | |
| 22 | G | A | -2.1105 | |
| 23 | I | A | -2.0950 | |
| 24 | E | A | -2.8068 | |
| 25 | K | A | -3.0796 | |
| 26 | S | A | -2.5889 | |
| 27 | E | A | -3.0363 | |
| 28 | D | A | -2.4085 | |
| 29 | W | A | 0.0000 | |
| 30 | R | A | -3.1660 | |
| 31 | Q | A | -2.0397 | |
| 32 | F | A | 0.0000 | |
| 33 | S | A | -2.4635 | |
| 34 | R | A | -2.9391 | |
| 35 | R | A | 0.0000 | |
| 36 | M | A | 0.0000 | |
| 37 | D | A | -2.9638 | |
| 38 | T | A | -1.6113 | |
| 39 | H | A | -1.2788 | |
| 40 | F | A | 0.0000 | |
| 41 | P | A | -1.4705 | |
| 42 | K | A | -1.6865 | |
| 43 | L | A | 0.0000 | |
| 44 | M | A | 0.0000 | |
| 45 | N | A | -2.2529 | |
| 46 | E | A | -1.6855 | |
| 47 | L | A | 0.0000 | |
| 48 | D | A | -2.4110 | |
| 49 | S | A | -1.5067 | |
| 50 | V | A | -0.9945 | |
| 51 | Y | A | 0.0000 | |
| 52 | G | A | -2.0069 | |
| 53 | N | A | -2.3382 | |
| 54 | N | A | -2.2129 | |
| 55 | E | A | -2.3176 | |
| 56 | A | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | L | A | -0.1930 | |
| 59 | P | A | -0.0311 | |
| 60 | M | A | 0.0000 | |
| 61 | L | A | 0.0000 | |
| 62 | E | A | -0.3180 | |
| 63 | M | A | 0.1061 | |
| 64 | L | A | 0.0000 | |
| 65 | L | A | 0.0000 | |
| 66 | A | A | -0.4607 | |
| 67 | Q | A | -1.1427 | |
| 68 | A | A | 0.0000 | |
| 69 | W | A | 0.0000 | |
| 70 | Q | A | -1.5894 | |
| 71 | S | A | 0.0000 | |
| 72 | Y | A | 0.0000 | |
| 73 | S | A | -1.5695 | |
| 74 | Q | A | -1.9085 | |
| 75 | R | A | 0.0000 | |
| 76 | N | A | -2.0506 | |
| 77 | S | A | -1.5722 | |
| 78 | S | A | -1.2675 | |
| 79 | L | A | 0.0000 | |
| 80 | K | A | -1.2023 | |
| 81 | D | A | -1.6881 | |
| 82 | I | A | -0.3803 | |
| 83 | D | A | 0.0000 | |
| 84 | I | A | -0.2970 | |
| 85 | A | A | -0.8435 | |
| 86 | R | A | -1.4741 | |
| 87 | E | A | -1.8338 | |
| 88 | N | A | -2.2500 | |
| 89 | N | A | -2.4371 | |
| 90 | P | A | -2.1873 | |
| 91 | D | A | -2.1546 | |
| 92 | W | A | -1.2006 | |
| 93 | I | A | 0.0000 | |
| 94 | L | A | -1.1688 | |
| 95 | S | A | -1.1922 | |
| 96 | N | A | 0.0000 | |
| 97 | K | A | -2.0511 | |
| 98 | Q | A | -1.0820 | |
| 99 | V | A | 0.0000 | |
| 100 | G | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | C | A | 0.0000 | |
| 104 | Y | A | 0.0000 | |
| 105 | V | A | 0.0000 | |
| 106 | D | A | -1.2923 | |
| 107 | L | A | -1.1020 | |
| 108 | F | A | 0.0000 | |
| 109 | A | A | -1.5133 | |
| 110 | G | A | -1.5326 | |
| 111 | D | A | -1.9391 | |
| 112 | L | A | 0.0000 | |
| 113 | K | A | -3.0415 | |
| 114 | G | A | -2.2931 | |
| 115 | L | A | 0.0000 | |
| 116 | K | A | -2.6204 | |
| 117 | D | A | -2.6930 | |
| 118 | K | A | -1.8852 | |
| 119 | I | A | 0.0000 | |
| 120 | P | A | -1.4468 | |
| 121 | Y | A | 0.0000 | |
| 122 | F | A | 0.0000 | |
| 123 | Q | A | -1.7087 | |
| 124 | E | A | -1.6778 | |
| 125 | L | A | 0.0000 | |
| 126 | G | A | -1.1385 | |
| 127 | L | A | 0.0000 | |
| 128 | T | A | -0.6975 | |
| 129 | Y | A | 0.0000 | |
| 130 | L | A | 0.0000 | |
| 131 | H | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | P | A | -0.2333 | |
| 135 | L | A | 0.0000 | |
| 136 | F | A | -1.1012 | |
| 137 | K | A | -1.9163 | |
| 138 | C | A | -1.5528 | |
| 139 | P | A | -1.7464 | |
| 140 | E | A | -2.4874 | |
| 141 | G | A | -2.1470 | |
| 142 | K | A | -1.8808 | |
| 143 | S | A | -1.1808 | |
| 144 | D | A | -0.6397 | |
| 145 | G | A | -0.4139 | |
| 146 | G | A | -0.6245 | |
| 147 | Y | A | 0.0000 | |
| 148 | A | A | 0.0000 | |
| 149 | V | A | 0.0000 | |
| 150 | S | A | -1.5339 | |
| 151 | S | A | -1.6494 | |
| 152 | Y | A | 0.0000 | |
| 153 | R | A | -1.8582 | |
| 154 | D | A | -2.4407 | |
| 155 | V | A | 0.0000 | |
| 156 | N | A | -1.3351 | |
| 157 | P | A | -0.8728 | |
| 158 | A | A | -0.6466 | |
| 159 | L | A | 0.0000 | |
| 160 | G | A | -0.9315 | |
| 161 | T | A | -0.9216 | |
| 162 | I | A | -0.6363 | |
| 163 | G | A | -0.8666 | |
| 164 | D | A | -1.6764 | |
| 165 | L | A | 0.0000 | |
| 166 | R | A | -2.0398 | |
| 167 | E | A | -2.7734 | |
| 168 | V | A | 0.0000 | |
| 169 | I | A | 0.0000 | |
| 170 | A | A | -1.5750 | |
| 171 | A | A | -1.7642 | |
| 172 | L | A | 0.0000 | |
| 173 | H | A | -1.4967 | |
| 174 | E | A | -2.0831 | |
| 175 | A | A | -1.4417 | |
| 176 | G | A | -1.2955 | |
| 177 | I | A | 0.0000 | |
| 178 | S | A | 0.0000 | |
| 179 | A | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | D | A | -0.1665 | |
| 183 | F | A | 0.0000 | |
| 184 | I | A | 0.0000 | |
| 185 | F | A | 0.0000 | |
| 186 | N | A | 0.0000 | |
| 187 | H | A | 0.0000 | |
| 188 | T | A | 0.0000 | |
| 189 | S | A | 0.0000 | |
| 190 | N | A | -1.4571 | |
| 191 | E | A | -2.2494 | |
| 192 | H | A | 0.0000 | |
| 193 | E | A | -2.7333 | |
| 194 | W | A | 0.0000 | |
| 195 | A | A | 0.0000 | |
| 196 | Q | A | -2.5227 | |
| 197 | R | A | -2.1509 | |
| 198 | C | A | -1.6686 | |
| 199 | A | A | -1.3275 | |
| 200 | A | A | -1.0549 | |
| 201 | G | A | -1.3199 | |
| 202 | D | A | -1.1623 | |
| 203 | P | A | -0.7165 | |
| 204 | L | A | 0.4684 | |
| 205 | F | A | 0.0000 | |
| 206 | D | A | -2.2975 | |
| 207 | N | A | -1.9809 | |
| 208 | F | A | 0.0000 | |
| 209 | Y | A | 0.0000 | |
| 210 | Y | A | -0.0847 | |
| 211 | I | A | 0.1436 | |
| 212 | F | A | -0.3655 | |
| 213 | P | A | -1.1551 | |
| 214 | D | A | -1.7518 | |
| 215 | R | A | -2.3512 | |
| 216 | R | A | -2.6614 | |
| 217 | M | A | -1.3684 | |
| 218 | P | A | 0.0000 | |
| 219 | D | A | -3.1766 | |
| 220 | Q | A | -2.5332 | |
| 221 | Y | A | 0.0000 | |
| 222 | D | A | -2.4266 | |
| 223 | R | A | -2.8713 | |
| 224 | T | A | -1.8002 | |
| 225 | L | A | -1.6814 | |
| 226 | R | A | -1.9994 | |
| 227 | E | A | -1.4871 | |
| 228 | I | A | -0.6980 | |
| 229 | F | A | 0.0000 | |
| 230 | P | A | -1.2594 | |
| 231 | D | A | -2.1066 | |
| 232 | Q | A | -1.5784 | |
| 233 | H | A | -1.0083 | |
| 234 | P | A | -1.0401 | |
| 235 | G | A | -1.2857 | |
| 236 | G | A | 0.0000 | |
| 237 | F | A | 0.0000 | |
| 238 | S | A | -0.8216 | |
| 239 | Q | A | -2.0484 | |
| 240 | L | A | -1.9979 | |
| 241 | E | A | -3.0046 | |
| 242 | D | A | -3.0393 | |
| 243 | G | A | -2.2795 | |
| 244 | R | A | -1.8497 | |
| 245 | W | A | -1.2296 | |
| 246 | V | A | 0.0000 | |
| 247 | W | A | 0.0000 | |
| 248 | T | A | 0.0000 | |
| 249 | T | A | 0.0000 | |
| 250 | F | A | 0.0678 | |
| 251 | N | A | 0.0000 | |
| 252 | S | A | -0.2774 | |
| 253 | F | A | -0.2609 | |
| 254 | Q | A | 0.0000 | |
| 255 | W | A | 0.0000 | |
| 256 | D | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | N | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | S | A | -0.3714 | |
| 261 | N | A | -0.8422 | |
| 262 | P | A | 0.0000 | |
| 263 | W | A | -0.2377 | |
| 264 | V | A | 0.0000 | |
| 265 | F | A | 0.0000 | |
| 266 | R | A | -0.8667 | |
| 267 | A | A | -0.4291 | |
| 268 | M | A | 0.0000 | |
| 269 | A | A | 0.0000 | |
| 270 | G | A | -0.4780 | |
| 271 | E | A | -0.3962 | |
| 272 | M | A | 0.0000 | |
| 273 | L | A | 0.0000 | |
| 274 | F | A | -0.0185 | |
| 275 | L | A | 0.0000 | |
| 276 | A | A | 0.0000 | |
| 277 | N | A | -0.7197 | |
| 278 | L | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | V | A | 0.0000 | |
| 281 | D | A | 0.0000 | |
| 282 | I | A | 0.0000 | |
| 283 | L | A | 0.0000 | |
| 284 | R | A | 0.0000 | |
| 285 | M | A | 0.0000 | |
| 286 | D | A | 0.0000 | |
| 287 | A | A | 0.0000 | |
| 288 | V | A | 0.0000 | |
| 289 | A | A | 0.0000 | |
| 290 | F | A | 0.0962 | |
| 291 | I | A | 0.0000 | |
| 292 | W | A | -0.2628 | |
| 293 | K | A | -0.6128 | |
| 294 | Q | A | -0.9733 | |
| 295 | M | A | -0.7622 | |
| 296 | G | A | -1.0970 | |
| 297 | T | A | -0.8172 | |
| 298 | S | A | -1.0061 | |
| 299 | C | A | 0.0000 | |
| 300 | E | A | -0.5895 | |
| 301 | N | A | -0.5706 | |
| 302 | L | A | -0.3578 | |
| 303 | P | A | -0.3374 | |
| 304 | Q | A | -0.4233 | |
| 305 | A | A | 0.0000 | |
| 306 | H | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | L | A | 0.0000 | |
| 309 | I | A | 0.0000 | |
| 310 | R | A | -1.2057 | |
| 311 | A | A | 0.0000 | |
| 312 | F | A | 0.0000 | |
| 313 | N | A | 0.0000 | |
| 314 | A | A | 0.0000 | |
| 315 | V | A | 0.0000 | |
| 316 | M | A | 0.0000 | |
| 317 | R | A | -0.4704 | |
| 318 | I | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | P | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | V | A | 0.0000 | |
| 324 | F | A | 0.0000 | |
| 325 | F | A | 0.0000 | |
| 326 | K | A | 0.0000 | |
| 327 | S | A | 0.0000 | |
| 328 | E | A | -0.0692 | |
| 329 | A | A | 0.0000 | |
| 330 | I | A | 0.5019 | |
| 331 | V | A | 0.0000 | |
| 332 | H | A | -0.7979 | |
| 333 | P | A | 0.0000 | |
| 334 | D | A | -1.7357 | |
| 335 | Q | A | -1.2910 | |
| 336 | V | A | 0.0000 | |
| 337 | V | A | -0.6054 | |
| 338 | Q | A | -1.3668 | |
| 339 | Y | A | 0.0000 | |
| 340 | I | A | 0.0000 | |
| 341 | G | A | -1.3495 | |
| 342 | Q | A | -1.9038 | |
| 343 | D | A | -1.5233 | |
| 344 | E | A | 0.0000 | |
| 345 | S | A | 0.0000 | mutated: CS345A |
| 346 | Q | A | 0.0000 | |
| 347 | I | A | 0.0000 | |
| 348 | G | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | N | A | 0.0000 | |
| 351 | P | A | 0.0000 | |
| 352 | L | A | 0.0000 | |
| 353 | Q | A | 0.0000 | |
| 354 | M | A | 0.0000 | |
| 355 | A | A | 0.0000 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | W | A | 0.0000 | |
| 359 | N | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | L | A | 0.0000 | |
| 362 | A | A | 0.0000 | |
| 363 | T | A | -0.4599 | |
| 364 | R | A | -0.9924 | |
| 365 | E | A | -1.5646 | |
| 366 | V | A | 0.0000 | |
| 367 | N | A | -0.9688 | |
| 368 | L | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | H | A | -0.6424 | |
| 371 | Q | A | 0.1491 | |
| 372 | A | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | T | A | 0.6932 | |
| 375 | Y | A | 1.0520 | |
| 376 | R | A | -0.1023 | |
| 377 | H | A | 0.0000 | |
| 378 | N | A | -1.4490 | |
| 379 | L | A | -1.2797 | |
| 380 | P | A | -1.6411 | |
| 381 | E | A | -2.6790 | |
| 382 | H | A | -2.0567 | |
| 383 | T | A | 0.0000 | |
| 384 | A | A | 0.0000 | |
| 385 | W | A | 0.0000 | |
| 386 | V | A | 0.0000 | |
| 387 | N | A | 0.0000 | |
| 388 | Y | A | 0.0000 | |
| 389 | V | A | 0.0000 | |
| 390 | R | A | 0.0000 | |
| 391 | S | A | -0.1908 | |
| 392 | H | A | 0.0000 | |
| 393 | D | A | -0.4721 | |
| 394 | D | A | -0.4331 | |
| 395 | I | A | 0.0000 | |
| 396 | G | A | -0.3639 | |
| 397 | W | A | 0.0000 | |
| 398 | T | A | -0.1709 | |
| 399 | F | A | 0.0000 | |
| 400 | A | A | 0.0000 | |
| 401 | D | A | -1.6079 | |
| 402 | E | A | -1.8323 | |
| 403 | D | A | -0.6597 | |
| 404 | A | A | 0.0000 | |
| 405 | A | A | -0.1060 | |
| 406 | Y | A | 0.9766 | |
| 407 | L | A | 0.8157 | |
| 408 | G | A | 0.2550 | |
| 409 | I | A | -0.0766 | |
| 410 | S | A | -0.6250 | |
| 411 | G | A | 0.0000 | |
| 412 | Y | A | -0.2073 | |
| 413 | D | A | -1.3421 | |
| 414 | H | A | -0.8224 | |
| 415 | R | A | -1.1064 | |
| 416 | Q | A | -1.3753 | |
| 417 | F | A | -0.8892 | |
| 418 | L | A | 0.0000 | |
| 419 | N | A | 0.0000 | |
| 420 | R | A | -2.6041 | |
| 421 | F | A | 0.0000 | |
| 422 | F | A | 0.0000 | |
| 423 | V | A | 0.0000 | |
| 424 | N | A | -2.3955 | |
| 425 | R | A | -3.0007 | |
| 426 | F | A | -1.7960 | |
| 427 | D | A | -2.3814 | |
| 428 | G | A | -1.4972 | |
| 429 | S | A | 0.0000 | |
| 430 | F | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | R | A | -1.0361 | |
| 433 | G | A | -0.7735 | |
| 434 | V | A | -0.1558 | |
| 435 | P | A | -0.0351 | |
| 436 | F | A | 0.0000 | |
| 437 | Q | A | 0.0000 | |
| 438 | Y | A | 0.3337 | |
| 439 | N | A | 0.0000 | |
| 440 | P | A | -0.3783 | |
| 441 | S | A | -0.4844 | |
| 442 | T | A | -0.5533 | |
| 443 | G | A | -0.6438 | |
| 444 | D | A | -1.3626 | |
| 445 | C | A | 0.0000 | |
| 446 | R | A | -0.4268 | |
| 447 | V | A | 0.0000 | |
| 448 | S | A | 0.0000 | |
| 449 | G | A | 0.0000 | |
| 450 | T | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | A | A | 0.0000 | |
| 453 | A | A | 0.0000 | |
| 454 | L | A | 0.0000 | |
| 455 | V | A | 0.0000 | |
| 456 | G | A | 0.0000 | |
| 457 | L | A | -0.8324 | |
| 458 | A | A | -0.8032 | |
| 459 | Q | A | -1.5463 | |
| 460 | D | A | -2.2041 | |
| 461 | D | A | -1.4542 | |
| 462 | P | A | -1.1686 | |
| 463 | H | A | -1.0417 | |
| 464 | A | A | 0.0000 | |
| 465 | V | A | -0.8137 | |
| 466 | D | A | -1.2117 | |
| 467 | R | A | 0.0000 | |
| 468 | I | A | 0.0000 | |
| 469 | K | A | -0.7575 | |
| 470 | L | A | 0.0000 | |
| 471 | L | A | 0.0000 | |
| 472 | Y | A | 0.0000 | |
| 473 | S | A | 0.0000 | |
| 474 | I | A | 0.0000 | |
| 475 | A | A | 0.0000 | |
| 476 | L | A | 0.0000 | |
| 477 | S | A | 0.0000 | |
| 478 | T | A | 0.0000 | |
| 479 | G | A | 0.0000 | |
| 480 | G | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | P | A | 0.0000 | |
| 483 | L | A | 0.0000 | |
| 484 | I | A | 0.0000 | |
| 485 | Y | A | 0.0000 | |
| 486 | L | A | 0.0000 | |
| 487 | G | A | -0.2663 | |
| 488 | D | A | 0.0000 | |
| 489 | E | A | 0.0000 | |
| 490 | V | A | 0.0000 | |
| 491 | G | A | 0.0000 | |
| 492 | T | A | 0.0000 | |
| 493 | L | A | -0.3755 | |
| 494 | N | A | -1.1929 | |
| 495 | D | A | -2.1745 | |
| 496 | D | A | -3.2007 | |
| 497 | D | A | -3.2989 | |
| 498 | W | A | -2.4828 | |
| 499 | S | A | -2.2526 | |
| 500 | Q | A | -2.6526 | |
| 501 | D | A | -2.2728 | |
| 502 | S | A | -1.8813 | |
| 503 | N | A | -2.6514 | |
| 504 | K | A | -2.3645 | |
| 505 | S | A | -2.1133 | |
| 506 | D | A | -2.2848 | |
| 507 | D | A | -1.4358 | |
| 508 | S | A | 0.0000 | |
| 509 | R | A | 0.0000 | |
| 510 | W | A | -0.8386 | |
| 511 | A | A | 0.0000 | |
| 512 | H | A | 0.0000 | |
| 513 | R | A | 0.0000 | |
| 514 | P | A | -1.5734 | |
| 515 | R | A | -2.4502 | |
| 516 | Y | A | -1.4388 | |
| 517 | N | A | -1.5843 | |
| 518 | E | A | -2.1532 | |
| 519 | A | A | -0.9362 | |
| 520 | L | A | -0.7277 | |
| 521 | Y | A | 0.0000 | |
| 522 | A | A | -1.0773 | |
| 523 | Q | A | -1.5441 | |
| 524 | R | A | -1.6539 | |
| 525 | N | A | -2.2944 | |
| 526 | D | A | -2.1897 | |
| 527 | P | A | -1.6189 | |
| 528 | S | A | -1.0193 | |
| 529 | T | A | -0.9042 | |
| 530 | A | A | -0.7515 | |
| 531 | A | A | 0.0000 | |
| 532 | G | A | 0.0000 | |
| 533 | Q | A | -1.6194 | |
| 534 | I | A | 0.0000 | |
| 535 | Y | A | 0.0000 | |
| 536 | Q | A | -1.7860 | |
| 537 | D | A | -1.4362 | |
| 538 | L | A | 0.0000 | |
| 539 | R | A | -1.1965 | |
| 540 | H | A | -0.9483 | |
| 541 | M | A | 0.0000 | |
| 542 | I | A | 0.0000 | |
| 543 | A | A | -0.5698 | |
| 544 | V | A | -0.3050 | |
| 545 | R | A | 0.0000 | |
| 546 | Q | A | -1.2249 | |
| 547 | S | A | -0.8488 | |
| 548 | N | A | -0.8257 | |
| 549 | P | A | -1.2976 | |
| 550 | R | A | -1.4547 | |
| 551 | F | A | 0.0000 | |
| 552 | D | A | -2.0988 | |
| 553 | G | A | -1.5732 | |
| 554 | G | A | -1.8247 | |
| 555 | R | A | -2.4105 | |
| 556 | L | A | 0.0000 | |
| 557 | V | A | 0.9128 | |
| 558 | T | A | 0.7615 | |
| 559 | F | A | -0.1531 | |
| 560 | N | A | -1.6408 | |
| 561 | T | A | 0.0000 | |
| 562 | N | A | -2.2848 | |
| 563 | N | A | -2.0052 | |
| 564 | K | A | -2.7096 | |
| 565 | H | A | -1.5420 | |
| 566 | I | A | 0.0000 | |
| 567 | I | A | 0.0000 | |
| 568 | G | A | 0.0000 | |
| 569 | Y | A | 0.0000 | |
| 570 | I | A | -0.1556 | |
| 571 | R | A | 0.0000 | |
| 572 | N | A | -2.2834 | |
| 573 | N | A | -1.5905 | |
| 574 | A | A | -1.0959 | |
| 575 | L | A | 0.0000 | |
| 576 | L | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | F | A | 0.0000 | |
| 579 | G | A | 0.0000 | |
| 580 | N | A | 0.0000 | |
| 581 | F | A | 0.0000 | |
| 582 | S | A | 0.0000 | |
| 583 | E | A | -0.1535 | |
| 584 | Y | A | 0.6758 | |
| 585 | P | A | -0.2790 | |
| 586 | Q | A | -0.5611 | |
| 587 | T | A | -0.9717 | |
| 588 | V | A | 0.0000 | |
| 589 | T | A | -1.9470 | |
| 590 | A | A | -2.3848 | |
| 591 | H | A | -2.1896 | |
| 592 | T | A | -1.7916 | |
| 593 | L | A | 0.0000 | |
| 594 | Q | A | -1.5883 | |
| 595 | A | A | -0.4731 | |
| 596 | M | A | -0.0114 | |
| 597 | P | A | 0.2762 | |
| 598 | F | A | 0.7801 | |
| 599 | K | A | -0.4828 | |
| 600 | A | A | 0.0000 | |
| 601 | H | A | -1.4119 | |
| 602 | D | A | 0.0000 | |
| 603 | L | A | -0.5022 | |
| 604 | I | A | -0.4736 | |
| 605 | G | A | -1.0062 | |
| 606 | G | A | -1.3940 | |
| 607 | K | A | -2.0970 | |
| 608 | T | A | -1.4635 | |
| 609 | V | A | -0.8850 | |
| 610 | S | A | -0.9845 | |
| 611 | L | A | 0.0000 | |
| 612 | N | A | -2.0193 | |
| 613 | Q | A | -2.7684 | |
| 614 | D | A | -2.8178 | |
| 615 | L | A | 0.0000 | |
| 616 | T | A | -1.0950 | |
| 617 | L | A | 0.0000 | |
| 618 | Q | A | -1.2147 | |
| 619 | P | A | -0.6363 | |
| 620 | Y | A | 0.0000 | |
| 621 | Q | A | -0.9451 | |
| 622 | V | A | 0.0000 | |
| 623 | M | A | 0.0000 | |
| 624 | W | A | 0.0000 | |
| 625 | L | A | 0.0000 | |
| 626 | E | A | -0.6302 | |
| 627 | I | A | -0.0650 | |
| 628 | A | A | -0.4263 |
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 | -0.3907 | 3.1247 | View | CSV | PDB |
| 4.5 | -0.4537 | 3.1261 | View | CSV | PDB |
| 5.0 | -0.5279 | 3.1306 | View | CSV | PDB |
| 5.5 | -0.6044 | 3.1438 | View | CSV | PDB |
| 6.0 | -0.6755 | 3.178 | View | CSV | PDB |
| 6.5 | -0.7356 | 3.2482 | View | CSV | PDB |
| 7.0 | -0.7832 | 3.3548 | View | CSV | PDB |
| 7.5 | -0.8211 | 3.483 | View | CSV | PDB |
| 8.0 | -0.8514 | 3.6202 | View | CSV | PDB |
| 8.5 | -0.8727 | 3.7603 | View | CSV | PDB |
| 9.0 | -0.882 | 3.9007 | 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