| Chain sequence(s) |
A: RAIPELTKLLNDEDQVVVNKAAVMVHQLSKKEASRHAIMRSPQMVSAIVRTMQNTNDVETARCTAGTLHNLSHHREGLLAIFKSGGIPALVKMLGSPVDSVLFYAITTLHNLLLHQEGAKMAVRLAGGLQKMVALLNKTNVKFLAITTDCLQILAYGNQESKLIILASGGPQALVNIMRTYTYEKLLWTTSRVLKVLSVCSSNKPAIVEAGGMQALGLHLTDPSQRLVQNCLWTLRNLSDAATKQEGMEGLLGTLVQLLGSDDINVVTCAAGILSNLTCNNYKNKMMVCQVGGIEALVRTVLRAGDREDITEPAICALRHLTSRHQEAEMAQNAVRLHYGLPVVVKLLHPPSHWPLIKATVGLIRNLALCPANHAPLREQGAIPRLVQLLVRAHQDTQRRTSMGGTQQQFVEGVRMEEIVEGCTGALHILARDVHNRIVIRGLNTIPLFVQLLYSPIENIQRVAAGVLCELAQDKEAAEAIEAEGATAPLTELLHSRNEGVATYAAAVLFRMSEDK
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:07:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/2ecef8115fa1dd/tmp/folded.pdb (00:07:28)
[INFO] Main: Simulation completed successfully. (00:09:54)
|
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 | R | A | -2.0702 | |
| 2 | A | A | -1.2744 | |
| 3 | I | A | -1.2158 | |
| 4 | P | A | -1.8002 | |
| 5 | E | A | -2.2685 | |
| 6 | L | A | 0.0000 | |
| 7 | T | A | -1.7949 | |
| 8 | K | A | -2.6378 | |
| 9 | L | A | -1.8833 | |
| 10 | L | A | 0.0000 | |
| 11 | N | A | -2.6104 | |
| 12 | D | A | -2.6336 | |
| 13 | E | A | -2.8571 | |
| 14 | D | A | -2.1582 | |
| 15 | Q | A | -1.3942 | |
| 16 | V | A | 0.4523 | |
| 17 | V | A | -0.5990 | |
| 18 | V | A | 0.0000 | |
| 19 | N | A | -0.4829 | |
| 20 | K | A | -0.9761 | |
| 21 | A | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | V | A | -0.3404 | |
| 24 | M | A | -0.0886 | |
| 25 | V | A | 0.0000 | |
| 26 | H | A | -1.1413 | |
| 27 | Q | A | -1.6696 | |
| 28 | L | A | -1.5295 | |
| 29 | S | A | 0.0000 | |
| 30 | K | A | -3.2954 | |
| 31 | K | A | -3.5228 | |
| 32 | E | A | -3.1004 | |
| 33 | A | A | -1.6243 | |
| 34 | S | A | -1.7786 | |
| 35 | R | A | -2.2392 | |
| 36 | H | A | -1.8467 | |
| 37 | A | A | -1.2108 | |
| 38 | I | A | 0.0000 | |
| 39 | M | A | 0.0000 | |
| 40 | R | A | -2.5261 | |
| 41 | S | A | -1.4740 | |
| 42 | P | A | -1.6069 | |
| 43 | Q | A | -1.7989 | |
| 44 | M | A | 0.0000 | |
| 45 | V | A | 0.0000 | |
| 46 | S | A | -1.2742 | |
| 47 | A | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | R | A | -2.3770 | |
| 51 | T | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | Q | A | -2.0779 | |
| 54 | N | A | -2.2700 | |
| 55 | T | A | -1.6547 | |
| 56 | N | A | -1.5702 | |
| 57 | D | A | -0.6630 | |
| 58 | V | A | 0.5351 | |
| 59 | E | A | -0.5930 | |
| 60 | T | A | 0.0000 | |
| 61 | A | A | -0.5629 | |
| 62 | R | A | -0.6269 | |
| 63 | C | A | 0.0000 | |
| 64 | T | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | G | A | 0.0000 | |
| 67 | T | A | 0.0000 | |
| 68 | L | A | 0.0000 | |
| 69 | H | A | -0.3241 | |
| 70 | N | A | -1.3195 | |
| 71 | L | A | 0.0000 | |
| 72 | S | A | 0.0000 | |
| 73 | H | A | -1.9067 | |
| 74 | H | A | -2.2225 | |
| 75 | R | A | -2.9138 | |
| 76 | E | A | -2.9176 | |
| 77 | G | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | L | A | -0.7770 | |
| 80 | A | A | -1.3116 | |
| 81 | I | A | 0.0000 | |
| 82 | F | A | -0.5805 | |
| 83 | K | A | -1.3625 | |
| 84 | S | A | -1.1988 | |
| 85 | G | A | -0.9736 | |
| 86 | G | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | P | A | -0.4674 | |
| 89 | A | A | 0.0000 | |
| 90 | L | A | 0.0000 | |
| 91 | V | A | 0.0000 | |
| 92 | K | A | -1.7983 | |
| 93 | M | A | 0.0000 | |
| 94 | L | A | 0.0000 | |
| 95 | G | A | -1.0203 | |
| 96 | S | A | -0.6738 | |
| 97 | P | A | -0.4918 | |
| 98 | V | A | -0.5453 | |
| 99 | D | A | -1.7672 | |
| 100 | S | A | -0.6220 | |
| 101 | V | A | 0.0000 | |
| 102 | L | A | 0.0000 | |
| 103 | F | A | -0.0155 | |
| 104 | Y | A | 0.1361 | |
| 105 | A | A | 0.0000 | |
| 106 | I | A | 0.0000 | |
| 107 | T | A | 0.2185 | |
| 108 | T | A | 0.0000 | |
| 109 | L | A | 0.0000 | |
| 110 | H | A | 0.0266 | |
| 111 | N | A | -0.4622 | |
| 112 | L | A | 0.0000 | |
| 113 | L | A | 0.0000 | |
| 114 | L | A | 0.2830 | |
| 115 | H | A | -1.1089 | |
| 116 | Q | A | 0.0000 | |
| 117 | E | A | -1.7510 | |
| 118 | G | A | -1.0372 | |
| 119 | A | A | 0.0000 | |
| 120 | K | A | -0.4783 | |
| 121 | M | A | 0.4552 | |
| 122 | A | A | 0.3441 | |
| 123 | V | A | 0.0000 | |
| 124 | R | A | 0.2115 | |
| 125 | L | A | 1.4471 | |
| 126 | A | A | 0.2801 | |
| 127 | G | A | -0.2399 | |
| 128 | G | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | Q | A | -1.0481 | |
| 131 | K | A | -1.2676 | |
| 132 | M | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | A | A | -0.8210 | |
| 135 | L | A | 0.0000 | |
| 136 | L | A | 0.0000 | |
| 137 | N | A | -1.7941 | |
| 138 | K | A | -1.5836 | |
| 139 | T | A | -1.1411 | |
| 140 | N | A | -1.6378 | |
| 141 | V | A | -0.8107 | |
| 142 | K | A | -1.4880 | |
| 143 | F | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | A | A | 0.0000 | |
| 146 | I | A | -0.0649 | |
| 147 | T | A | 0.0000 | |
| 148 | T | A | 0.0000 | |
| 149 | D | A | 0.0000 | |
| 150 | C | A | 0.0000 | |
| 151 | L | A | 0.0000 | |
| 152 | Q | A | 0.1839 | |
| 153 | I | A | 0.4848 | |
| 154 | L | A | 0.0000 | |
| 155 | A | A | 0.0000 | |
| 156 | Y | A | 0.7813 | |
| 157 | G | A | -0.3928 | |
| 158 | N | A | -1.0063 | |
| 159 | Q | A | -1.6484 | |
| 160 | E | A | -2.1577 | |
| 161 | S | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | L | A | 0.0170 | |
| 164 | I | A | 0.0598 | |
| 165 | I | A | 0.0000 | |
| 166 | L | A | 0.1651 | |
| 167 | A | A | 0.3448 | |
| 168 | S | A | -0.2061 | |
| 169 | G | A | -0.3918 | |
| 170 | G | A | 0.0000 | |
| 171 | P | A | 0.0000 | |
| 172 | Q | A | -1.5718 | |
| 173 | A | A | -1.1699 | |
| 174 | L | A | 0.0000 | |
| 175 | V | A | 0.0000 | |
| 176 | N | A | -2.0162 | |
| 177 | I | A | 0.0000 | |
| 178 | M | A | 0.0000 | |
| 179 | R | A | -1.4835 | |
| 180 | T | A | -0.8933 | |
| 181 | Y | A | -0.2379 | |
| 182 | T | A | -0.2127 | |
| 183 | Y | A | -0.1086 | |
| 184 | E | A | -0.7227 | |
| 185 | K | A | -1.0028 | |
| 186 | L | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | W | A | -0.5778 | |
| 189 | T | A | 0.0000 | |
| 190 | T | A | 0.0000 | |
| 191 | S | A | 0.0000 | |
| 192 | R | A | -0.4033 | |
| 193 | V | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | K | A | -0.2481 | |
| 196 | V | A | 0.0000 | |
| 197 | L | A | 0.0000 | |
| 198 | S | A | 0.0000 | |
| 199 | V | A | 1.3617 | |
| 200 | C | A | 0.0000 | |
| 201 | S | A | 0.0477 | |
| 202 | S | A | 0.0539 | |
| 203 | N | A | 0.0000 | |
| 204 | K | A | -0.6089 | |
| 205 | P | A | -1.0336 | |
| 206 | A | A | -1.0000 | |
| 207 | I | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | E | A | -2.0915 | |
| 210 | A | A | -1.4453 | |
| 211 | G | A | -1.5001 | |
| 212 | G | A | 0.0000 | |
| 213 | M | A | 0.0000 | |
| 214 | Q | A | -0.7428 | |
| 215 | A | A | 0.0000 | |
| 216 | L | A | 0.0000 | |
| 217 | G | A | 0.3343 | |
| 218 | L | A | 1.0146 | |
| 219 | H | A | 0.0622 | |
| 220 | L | A | 0.0000 | |
| 221 | T | A | -0.3558 | |
| 222 | D | A | -0.8449 | |
| 223 | P | A | -0.9709 | |
| 224 | S | A | -1.2618 | |
| 225 | Q | A | -1.6401 | |
| 226 | R | A | -1.6893 | |
| 227 | L | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | Q | A | -0.8290 | |
| 230 | N | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | L | A | 0.0000 | |
| 233 | W | A | -0.4558 | |
| 234 | T | A | 0.0000 | |
| 235 | L | A | 0.0000 | |
| 236 | R | A | -1.9154 | |
| 237 | N | A | -0.8973 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | D | A | -2.3730 | |
| 241 | A | A | -1.6948 | |
| 242 | A | A | 0.0000 | |
| 243 | T | A | -2.0205 | |
| 244 | K | A | -2.8011 | |
| 245 | Q | A | -2.3907 | |
| 246 | E | A | -3.0908 | |
| 247 | G | A | -2.0850 | |
| 248 | M | A | 0.0000 | |
| 249 | E | A | -2.5984 | |
| 250 | G | A | -1.2631 | |
| 251 | L | A | 0.0000 | |
| 252 | L | A | 0.0000 | |
| 253 | G | A | -0.9755 | |
| 254 | T | A | -0.5711 | |
| 255 | L | A | 0.0000 | |
| 256 | V | A | 0.0000 | |
| 257 | Q | A | -1.2285 | |
| 258 | L | A | -0.8915 | |
| 259 | L | A | 0.0000 | |
| 260 | G | A | -1.5363 | |
| 261 | S | A | -1.3709 | |
| 262 | D | A | -1.9586 | |
| 263 | D | A | -1.2461 | |
| 264 | I | A | -0.4714 | |
| 265 | N | A | -0.9222 | |
| 266 | V | A | 0.0000 | |
| 267 | V | A | 0.0000 | |
| 268 | T | A | -0.7605 | |
| 269 | C | A | 0.0000 | |
| 270 | A | A | 0.0000 | |
| 271 | A | A | 0.0000 | |
| 272 | G | A | -0.9143 | |
| 273 | I | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | S | A | 0.0000 | |
| 276 | N | A | -1.2192 | |
| 277 | L | A | 0.0000 | |
| 278 | T | A | 0.0000 | |
| 279 | C | A | -0.6648 | |
| 280 | N | A | -1.7191 | |
| 281 | N | A | -1.3123 | |
| 282 | Y | A | -0.6948 | |
| 283 | K | A | -2.0552 | |
| 284 | N | A | 0.0000 | |
| 285 | K | A | 0.0000 | |
| 286 | M | A | -0.6213 | |
| 287 | M | A | -0.8230 | |
| 288 | V | A | 0.0000 | |
| 289 | C | A | 0.0000 | |
| 290 | Q | A | -0.8590 | |
| 291 | V | A | -0.3878 | |
| 292 | G | A | -0.7791 | |
| 293 | G | A | 0.0000 | |
| 294 | I | A | 0.0000 | |
| 295 | E | A | -1.2938 | |
| 296 | A | A | -1.2145 | |
| 297 | L | A | 0.0000 | |
| 298 | V | A | 0.0000 | |
| 299 | R | A | -1.6787 | |
| 300 | T | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | L | A | -0.7682 | |
| 303 | R | A | -2.3189 | |
| 304 | A | A | -1.8972 | |
| 305 | G | A | -1.8808 | |
| 306 | D | A | -2.9094 | |
| 307 | R | A | -2.7690 | |
| 308 | E | A | -2.3885 | |
| 309 | D | A | -2.0487 | |
| 310 | I | A | 0.0000 | |
| 311 | T | A | 0.0000 | |
| 312 | E | A | -1.4364 | |
| 313 | P | A | -0.7266 | |
| 314 | A | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | C | A | -0.4121 | |
| 317 | A | A | 0.0000 | |
| 318 | L | A | 0.0000 | |
| 319 | R | A | -0.6079 | |
| 320 | H | A | -0.7545 | |
| 321 | L | A | 0.0000 | |
| 322 | T | A | 0.0000 | |
| 323 | S | A | -1.6141 | |
| 324 | R | A | -2.4004 | |
| 325 | H | A | -1.9826 | |
| 326 | Q | A | -2.0204 | |
| 327 | E | A | -1.5468 | |
| 328 | A | A | -1.5988 | |
| 329 | E | A | -2.0819 | |
| 330 | M | A | -0.7010 | |
| 331 | A | A | 0.0000 | |
| 332 | Q | A | 0.0000 | |
| 333 | N | A | -0.2033 | |
| 334 | A | A | 0.0000 | |
| 335 | V | A | 0.0000 | |
| 336 | R | A | 0.4873 | |
| 337 | L | A | 1.4187 | |
| 338 | H | A | 0.4483 | |
| 339 | Y | A | 1.3051 | |
| 340 | G | A | 0.0000 | |
| 341 | L | A | 0.0000 | |
| 342 | P | A | -0.6491 | |
| 343 | V | A | 0.0000 | |
| 344 | V | A | 0.0000 | |
| 345 | V | A | 0.0000 | |
| 346 | K | A | -2.0369 | |
| 347 | L | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | H | A | -1.2205 | |
| 350 | P | A | -1.2006 | |
| 351 | P | A | -1.2748 | |
| 352 | S | A | -1.5952 | |
| 353 | H | A | -1.4676 | |
| 354 | W | A | -1.0116 | |
| 355 | P | A | -1.0899 | |
| 356 | L | A | 0.0000 | |
| 357 | I | A | 0.0000 | |
| 358 | K | A | -0.9895 | |
| 359 | A | A | 0.0000 | |
| 360 | T | A | 0.0000 | |
| 361 | V | A | 0.0000 | |
| 362 | G | A | -0.6606 | |
| 363 | L | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | R | A | -0.5945 | |
| 366 | N | A | 0.0000 | |
| 367 | L | A | 0.0000 | |
| 368 | A | A | 0.0000 | |
| 369 | L | A | -0.0922 | |
| 370 | C | A | 0.0000 | |
| 371 | P | A | -0.5171 | |
| 372 | A | A | -0.1171 | |
| 373 | N | A | 0.0000 | |
| 374 | H | A | 0.0000 | |
| 375 | A | A | -0.8846 | |
| 376 | P | A | -1.0750 | |
| 377 | L | A | 0.0000 | |
| 378 | R | A | -1.5182 | |
| 379 | E | A | -2.3483 | |
| 380 | Q | A | -2.0508 | |
| 381 | G | A | -1.4868 | |
| 382 | A | A | 0.0000 | |
| 383 | I | A | 0.0000 | |
| 384 | P | A | -0.5859 | |
| 385 | R | A | -0.9398 | |
| 386 | L | A | 0.0000 | |
| 387 | V | A | 0.0000 | |
| 388 | Q | A | -1.2623 | |
| 389 | L | A | 0.0000 | |
| 390 | L | A | 0.0000 | |
| 391 | V | A | -0.2800 | |
| 392 | R | A | -2.0514 | |
| 393 | A | A | 0.0000 | |
| 394 | H | A | -1.5324 | |
| 395 | Q | A | -2.3706 | |
| 396 | D | A | -2.1247 | |
| 397 | T | A | -2.2212 | |
| 398 | Q | A | -2.2535 | |
| 399 | R | A | -2.5891 | |
| 400 | R | A | -2.0512 | |
| 401 | T | A | -1.4541 | |
| 402 | S | A | -0.8727 | |
| 403 | M | A | -0.0819 | |
| 404 | G | A | -0.7182 | |
| 405 | G | A | -1.4201 | |
| 406 | T | A | -1.2931 | |
| 407 | Q | A | -1.9911 | |
| 408 | Q | A | -1.7648 | |
| 409 | Q | A | -1.4541 | |
| 410 | F | A | 0.0966 | |
| 411 | V | A | -0.3075 | |
| 412 | E | A | -1.5237 | |
| 413 | G | A | -0.7641 | |
| 414 | V | A | 0.0000 | |
| 415 | R | A | -0.8747 | |
| 416 | M | A | 0.0000 | |
| 417 | E | A | -0.8219 | |
| 418 | E | A | -1.0966 | |
| 419 | I | A | 0.0000 | |
| 420 | V | A | 0.0000 | |
| 421 | E | A | -1.1060 | |
| 422 | G | A | -0.8401 | |
| 423 | C | A | 0.0000 | |
| 424 | T | A | 0.0000 | |
| 425 | G | A | 0.0000 | |
| 426 | A | A | 0.0000 | |
| 427 | L | A | 0.0000 | |
| 428 | H | A | -0.4145 | |
| 429 | I | A | -0.2910 | |
| 430 | L | A | 0.0000 | |
| 431 | A | A | 0.0000 | |
| 432 | R | A | -1.0235 | |
| 433 | D | A | -0.0914 | |
| 434 | V | A | 1.3165 | |
| 435 | H | A | 0.5479 | |
| 436 | N | A | 0.0000 | |
| 437 | R | A | 0.4916 | |
| 438 | I | A | 1.8810 | |
| 439 | V | A | 0.8769 | |
| 440 | I | A | 0.0000 | |
| 441 | R | A | -0.8096 | |
| 442 | G | A | -0.3154 | |
| 443 | L | A | -0.2463 | |
| 444 | N | A | -1.3181 | |
| 445 | T | A | 0.0000 | |
| 446 | I | A | 0.0000 | |
| 447 | P | A | -0.9741 | |
| 448 | L | A | -0.2932 | |
| 449 | F | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | Q | A | -0.5684 | |
| 452 | L | A | 0.0000 | |
| 453 | L | A | 0.0000 | |
| 454 | Y | A | 0.8067 | |
| 455 | S | A | 0.2290 | |
| 456 | P | A | 0.1302 | |
| 457 | I | A | 0.0167 | |
| 458 | E | A | -1.0073 | |
| 459 | N | A | -1.1278 | |
| 460 | I | A | 0.0000 | |
| 461 | Q | A | -0.5433 | |
| 462 | R | A | -1.1048 | |
| 463 | V | A | -0.4704 | |
| 464 | A | A | 0.0000 | |
| 465 | A | A | 0.0000 | |
| 466 | G | A | 0.0000 | |
| 467 | V | A | 0.0000 | |
| 468 | L | A | 0.0000 | |
| 469 | C | A | -0.0764 | |
| 470 | E | A | -0.6744 | |
| 471 | L | A | 0.0000 | |
| 472 | A | A | 0.0000 | |
| 473 | Q | A | -1.5661 | |
| 474 | D | A | -1.9364 | |
| 475 | K | A | -3.9316 | |
| 476 | E | A | -3.6016 | |
| 477 | A | A | 0.0000 | |
| 478 | A | A | 0.0000 | |
| 479 | E | A | -3.5500 | |
| 480 | A | A | -2.2622 | |
| 481 | I | A | 0.0000 | |
| 482 | E | A | -1.8844 | |
| 483 | A | A | -1.4927 | |
| 484 | E | A | -2.0616 | |
| 485 | G | A | -1.2103 | |
| 486 | A | A | 0.0000 | |
| 487 | T | A | -0.6226 | |
| 488 | A | A | -0.5133 | |
| 489 | P | A | 0.0000 | |
| 490 | L | A | 0.0000 | |
| 491 | T | A | -0.8375 | |
| 492 | E | A | -1.7720 | |
| 493 | L | A | 0.0000 | |
| 494 | L | A | -0.8643 | |
| 495 | H | A | -1.9158 | |
| 496 | S | A | -2.1707 | |
| 497 | R | A | -2.6127 | |
| 498 | N | A | 0.0000 | |
| 499 | E | A | -2.4532 | |
| 500 | G | A | -1.3611 | |
| 501 | V | A | 0.0000 | |
| 502 | A | A | -1.2358 | |
| 503 | T | A | -0.4564 | |
| 504 | Y | A | 0.2604 | |
| 505 | A | A | 0.0000 | |
| 506 | A | A | 0.8471 | |
| 507 | A | A | 0.7782 | |
| 508 | V | A | 0.0000 | |
| 509 | L | A | 0.8443 | |
| 510 | F | A | 1.1696 | |
| 511 | R | A | -1.2198 | |
| 512 | M | A | 0.0000 | |
| 513 | S | A | -1.8509 | |
| 514 | E | A | -3.0356 | |
| 515 | D | A | -3.8163 | |
| 516 | K | A | -3.2008 |
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 | -0.5609 | 3.5616 | View | CSV | PDB |
| 4.5 | -0.6095 | 3.4189 | View | CSV | PDB |
| 5.0 | -0.6688 | 3.2518 | View | CSV | PDB |
| 5.5 | -0.7281 | 3.0828 | View | CSV | PDB |
| 6.0 | -0.7756 | 2.9322 | View | CSV | PDB |
| 6.5 | -0.8025 | 2.817 | View | CSV | PDB |
| 7.0 | -0.8079 | 2.7365 | View | CSV | PDB |
| 7.5 | -0.7988 | 2.6766 | View | CSV | PDB |
| 8.0 | -0.7818 | 2.6272 | View | CSV | PDB |
| 8.5 | -0.7593 | 2.5868 | View | CSV | PDB |
| 9.0 | -0.7315 | 2.5587 | 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