| Chain sequence(s) |
A: QVQLQQSGAELVRPGSSVKISCKASGYAFSSYWMNWVKQRPGQGLEWIGQIWPGDGDTNYNGKFKGKATLTADESSSTAYMQLSSLASEDSAVYFCARRETTTVGRYYYAMDYWGQGTTVTVSSGGGGSGGGGSGGGGSDIQLTQSPASLAVSLGQRATISCKASQSVDYDGDSYLNWYQQIPGQPPKLLIYDASNLVSGIPPRFSGSGSGTDFTLNIHPVEKVDAATYHCQQSTEDPWTFGGGTKLEIKGGGGSGGGGSGGGGSDIKLQSGAELARPGASVKMSCKTSGYTFTRYTMHWVKQRPGQGLEWIGYINPSRGYTNYNQKFKDKATLTTDKSSSTAYMQLSSLTSEDSAVYYCARYYDDHYCLDYWGQGTTLTVSSGGGGSGGGGSGGGGSDIQLTQSPAIMSASPGEKVTMTCRASSSVSYMNWYQQKSGTSPKRWIYDTSKVASGVPYRFSGSGSGTSYSLTISSMEAEDAATYYCQQWSSNPLTFGAGTKLELK
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] (00:00:01)
[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] Analysis: Starting Aggrescan4D on folded.pdb (00:07:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e51749ba4e082a7/tmp/folded.pdb (00:07:14)
[INFO] Main: Simulation completed successfully. (00:10:22)
|
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 | Q | A | -1.3910 | |
| 2 | V | A | -0.8369 | |
| 3 | Q | A | -1.5239 | |
| 4 | L | A | 0.0000 | |
| 5 | Q | A | -1.9728 | |
| 6 | Q | A | 0.0000 | |
| 7 | S | A | -1.0805 | |
| 8 | G | A | -0.7642 | |
| 9 | A | A | -0.1655 | |
| 10 | E | A | -0.3109 | |
| 11 | L | A | 0.1237 | |
| 12 | V | A | -0.5865 | |
| 13 | R | A | -2.0032 | |
| 14 | P | A | -1.5389 | |
| 15 | G | A | -1.1903 | |
| 16 | S | A | -0.8886 | |
| 17 | S | A | -1.0008 | |
| 18 | V | A | 0.0000 | |
| 19 | K | A | -1.6558 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -0.8968 | |
| 22 | C | A | 0.0000 | |
| 23 | K | A | -1.8803 | |
| 24 | A | A | 0.0000 | |
| 25 | S | A | -1.1036 | |
| 26 | G | A | -0.8098 | |
| 27 | Y | A | -0.2225 | |
| 28 | A | A | -0.1353 | |
| 29 | F | A | 0.0000 | |
| 30 | S | A | -0.8916 | |
| 31 | S | A | -0.1421 | |
| 32 | Y | A | 0.2621 | |
| 33 | W | A | 0.0500 | |
| 34 | M | A | 0.0000 | |
| 35 | N | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | V | A | 0.0000 | |
| 38 | K | A | -0.2799 | |
| 39 | Q | A | -0.3650 | |
| 40 | R | A | -0.7374 | |
| 41 | P | A | -0.7159 | |
| 42 | G | A | -0.7989 | |
| 43 | Q | A | -0.7197 | |
| 44 | G | A | -0.4891 | |
| 45 | L | A | 0.0000 | |
| 46 | E | A | -0.5654 | |
| 47 | W | A | 0.0000 | |
| 48 | I | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | Q | A | 0.0000 | |
| 51 | I | A | 0.0000 | |
| 52 | W | A | -0.9850 | |
| 53 | P | A | 0.0000 | |
| 54 | G | A | -1.8292 | |
| 55 | D | A | -2.7410 | |
| 56 | G | A | -2.3388 | |
| 57 | D | A | -2.4032 | |
| 58 | T | A | -1.1890 | |
| 59 | N | A | -0.9865 | |
| 60 | Y | A | -0.7989 | |
| 61 | N | A | 0.0000 | |
| 62 | G | A | -1.7665 | |
| 63 | K | A | -1.6156 | |
| 64 | F | A | 0.0000 | |
| 65 | K | A | -2.3337 | |
| 66 | G | A | -1.6226 | |
| 67 | K | A | -1.4251 | |
| 68 | A | A | 0.0000 | |
| 69 | T | A | -0.8512 | |
| 70 | L | A | 0.0000 | |
| 71 | T | A | -0.5290 | |
| 72 | A | A | -1.4638 | |
| 73 | D | A | -2.0002 | |
| 74 | E | A | -2.5509 | |
| 75 | S | A | -1.3680 | |
| 76 | S | A | -1.2707 | |
| 77 | S | A | -1.4381 | |
| 78 | T | A | 0.0000 | |
| 79 | A | A | 0.0000 | |
| 80 | Y | A | -0.5619 | |
| 81 | M | A | 0.0000 | |
| 82 | Q | A | -1.2413 | |
| 83 | L | A | 0.0000 | |
| 84 | S | A | -0.8686 | |
| 85 | S | A | -0.8223 | |
| 86 | L | A | 0.0000 | |
| 87 | A | A | -1.0262 | |
| 88 | S | A | 0.0000 | |
| 89 | E | A | -1.3269 | |
| 90 | D | A | 0.0000 | |
| 91 | S | A | -0.3379 | |
| 92 | A | A | 0.0000 | |
| 93 | V | A | 0.1533 | |
| 94 | Y | A | 0.0000 | |
| 95 | F | A | 0.0000 | |
| 96 | C | A | 0.0000 | |
| 97 | A | A | 0.0000 | |
| 98 | R | A | 0.0000 | |
| 99 | R | A | 0.0000 | |
| 100 | E | A | -0.1030 | |
| 101 | T | A | -0.0419 | |
| 102 | T | A | -0.1822 | |
| 103 | T | A | 0.0757 | |
| 104 | V | A | 1.0810 | |
| 105 | G | A | -0.3609 | |
| 106 | R | A | -1.2103 | |
| 107 | Y | A | -0.1327 | |
| 108 | Y | A | 0.0000 | |
| 109 | Y | A | 0.1967 | |
| 110 | A | A | 0.0000 | |
| 111 | M | A | 0.0000 | |
| 112 | D | A | -0.2947 | |
| 113 | Y | A | -0.0469 | |
| 114 | W | A | 0.0000 | |
| 115 | G | A | 0.0000 | |
| 116 | Q | A | -1.5523 | |
| 117 | G | A | -0.8322 | |
| 118 | T | A | 0.0000 | |
| 119 | T | A | -0.1154 | |
| 120 | V | A | 0.0000 | |
| 121 | T | A | 0.0000 | |
| 122 | V | A | 0.0000 | |
| 123 | S | A | 0.0000 | |
| 124 | S | A | -1.2504 | |
| 125 | G | A | -1.1812 | |
| 126 | G | A | -1.0058 | |
| 127 | G | A | -1.0212 | |
| 128 | G | A | -0.5866 | |
| 129 | S | A | -0.4750 | |
| 130 | G | A | -0.7084 | |
| 131 | G | A | -0.4945 | |
| 132 | G | A | -0.3301 | |
| 133 | G | A | -0.5735 | |
| 134 | S | A | -0.7556 | |
| 135 | G | A | 0.0000 | |
| 136 | G | A | -1.3113 | |
| 137 | G | A | -1.2643 | |
| 138 | G | A | -1.0180 | |
| 139 | S | A | -0.6885 | |
| 140 | D | A | 0.0000 | |
| 141 | I | A | 0.0000 | |
| 142 | Q | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | T | A | -0.9087 | |
| 145 | Q | A | -0.6330 | |
| 146 | S | A | -0.5722 | |
| 147 | P | A | -0.3774 | |
| 148 | A | A | -0.4178 | |
| 149 | S | A | -0.7975 | |
| 150 | L | A | -0.7489 | |
| 151 | A | A | -1.2805 | |
| 152 | V | A | 0.0000 | |
| 153 | S | A | -1.5704 | |
| 154 | L | A | -1.1280 | |
| 155 | G | A | -1.4820 | |
| 156 | Q | A | -2.1947 | |
| 157 | R | A | -2.8915 | |
| 158 | A | A | 0.0000 | |
| 159 | T | A | -0.8242 | |
| 160 | I | A | 0.0000 | |
| 161 | S | A | -0.7985 | |
| 162 | C | A | 0.0000 | |
| 163 | K | A | -2.0173 | |
| 164 | A | A | 0.0000 | |
| 165 | S | A | -1.4202 | |
| 166 | Q | A | -1.8595 | |
| 167 | S | A | -1.3165 | |
| 168 | V | A | 0.0000 | |
| 169 | D | A | -1.4944 | |
| 170 | Y | A | -0.5950 | |
| 171 | D | A | -1.7971 | |
| 172 | G | A | -1.5182 | |
| 173 | D | A | -1.4217 | |
| 174 | S | A | 0.0000 | |
| 175 | Y | A | -0.4338 | |
| 176 | L | A | 0.0000 | |
| 177 | N | A | 0.0000 | |
| 178 | W | A | 0.0000 | |
| 179 | Y | A | 0.0000 | |
| 180 | Q | A | 0.0000 | |
| 181 | Q | A | 0.0000 | |
| 182 | I | A | 0.0000 | |
| 183 | P | A | -0.8197 | |
| 184 | G | A | -1.0604 | |
| 185 | Q | A | -1.4417 | |
| 186 | P | A | -0.9548 | |
| 187 | P | A | 0.0000 | |
| 188 | K | A | -1.2685 | |
| 189 | L | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | I | A | 0.0000 | |
| 192 | Y | A | -0.3049 | |
| 193 | D | A | -0.6856 | |
| 194 | A | A | 0.0000 | |
| 195 | S | A | -0.6838 | |
| 196 | N | A | -0.7230 | |
| 197 | L | A | 0.0297 | |
| 198 | V | A | -0.2148 | |
| 199 | S | A | -0.6665 | |
| 200 | G | A | -0.9484 | |
| 201 | I | A | 0.0000 | |
| 202 | P | A | -0.4659 | |
| 203 | P | A | -0.5532 | |
| 204 | R | A | -1.2244 | |
| 205 | F | A | 0.0000 | |
| 206 | S | A | -0.6365 | |
| 207 | G | A | -0.5451 | |
| 208 | S | A | -0.9598 | |
| 209 | G | A | -1.1806 | |
| 210 | S | A | -1.4435 | |
| 211 | G | A | -1.3844 | |
| 212 | T | A | -1.8211 | |
| 213 | D | A | -2.3398 | |
| 214 | F | A | 0.0000 | |
| 215 | T | A | -0.8520 | |
| 216 | L | A | 0.0000 | |
| 217 | N | A | -1.0996 | |
| 218 | I | A | 0.0000 | |
| 219 | H | A | -2.3689 | |
| 220 | P | A | -2.0545 | |
| 221 | V | A | 0.0000 | |
| 222 | E | A | -1.9325 | |
| 223 | K | A | -1.5929 | |
| 224 | V | A | -0.4843 | |
| 225 | D | A | 0.0000 | |
| 226 | A | A | -1.2265 | |
| 227 | A | A | 0.0000 | |
| 228 | T | A | -0.7054 | |
| 229 | Y | A | 0.0000 | |
| 230 | H | A | 0.0000 | |
| 231 | C | A | 0.0000 | |
| 232 | Q | A | 0.0000 | |
| 233 | Q | A | 0.0000 | |
| 234 | S | A | 0.0000 | |
| 235 | T | A | -1.2056 | |
| 236 | E | A | -2.6246 | |
| 237 | D | A | -2.8372 | |
| 238 | P | A | -1.8890 | |
| 239 | W | A | 0.0000 | |
| 240 | T | A | 0.0000 | |
| 241 | F | A | 0.0000 | |
| 242 | G | A | 0.0000 | |
| 243 | G | A | -0.5958 | |
| 244 | G | A | -0.5751 | |
| 245 | T | A | 0.0000 | |
| 246 | K | A | -1.3751 | |
| 247 | L | A | 0.0000 | |
| 248 | E | A | -2.5541 | |
| 249 | I | A | 0.0000 | |
| 250 | K | A | -2.3413 | |
| 251 | G | A | -1.7200 | |
| 252 | G | A | -1.8265 | |
| 253 | G | A | -1.5480 | |
| 254 | G | A | -1.5077 | |
| 255 | S | A | -1.1554 | |
| 256 | G | A | -0.9735 | |
| 257 | G | A | -1.0210 | |
| 258 | G | A | -0.5993 | |
| 259 | G | A | -1.0187 | |
| 260 | S | A | -0.8281 | |
| 261 | G | A | -1.3347 | |
| 262 | G | A | -1.4592 | |
| 263 | G | A | -1.2094 | |
| 264 | G | A | -0.8773 | |
| 265 | S | A | -0.4910 | |
| 266 | D | A | 0.0619 | |
| 267 | I | A | 0.9300 | |
| 268 | K | A | 0.0000 | |
| 269 | L | A | 0.7955 | |
| 270 | Q | A | 0.0000 | |
| 271 | S | A | -0.6467 | |
| 272 | G | A | -0.5755 | |
| 273 | A | A | -0.4015 | |
| 274 | E | A | -0.7669 | |
| 275 | L | A | -0.0440 | |
| 276 | A | A | 0.0000 | |
| 277 | R | A | -1.9746 | |
| 278 | P | A | -1.3331 | |
| 279 | G | A | -1.1551 | |
| 280 | A | A | -0.9288 | |
| 281 | S | A | -1.0996 | |
| 282 | V | A | 0.0000 | |
| 283 | K | A | -2.0028 | |
| 284 | M | A | 0.0000 | |
| 285 | S | A | -0.5556 | |
| 286 | C | A | 0.0000 | |
| 287 | K | A | -0.6024 | |
| 288 | T | A | 0.0000 | |
| 289 | S | A | -0.0785 | |
| 290 | G | A | -0.3054 | |
| 291 | Y | A | -0.2875 | |
| 292 | T | A | -0.6399 | |
| 293 | F | A | 0.0000 | |
| 294 | T | A | -1.7489 | |
| 295 | R | A | -1.8004 | |
| 296 | Y | A | -1.0124 | |
| 297 | T | A | -0.5174 | |
| 298 | M | A | 0.0000 | |
| 299 | H | A | 0.0000 | |
| 300 | W | A | 0.0000 | |
| 301 | V | A | 0.0000 | |
| 302 | K | A | 0.0000 | |
| 303 | Q | A | -0.2399 | |
| 304 | R | A | 0.0000 | |
| 305 | P | A | -0.6899 | |
| 306 | G | A | -0.9181 | |
| 307 | Q | A | -0.7660 | |
| 308 | G | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | E | A | 0.0000 | |
| 311 | W | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | Y | A | 0.1241 | |
| 315 | I | A | 0.0000 | |
| 316 | N | A | -1.0151 | |
| 317 | P | A | 0.0000 | |
| 318 | S | A | -1.8876 | |
| 319 | R | A | -2.1548 | |
| 320 | G | A | -1.3591 | |
| 321 | Y | A | -0.3023 | |
| 322 | T | A | -0.1836 | |
| 323 | N | A | -0.7965 | |
| 324 | Y | A | -1.3192 | |
| 325 | N | A | 0.0000 | |
| 326 | Q | A | -2.5723 | |
| 327 | K | A | -1.9852 | |
| 328 | F | A | 0.0000 | |
| 329 | K | A | -3.1645 | |
| 330 | D | A | -3.0263 | |
| 331 | K | A | -2.0202 | |
| 332 | A | A | 0.0000 | |
| 333 | T | A | -1.0941 | |
| 334 | L | A | 0.0000 | |
| 335 | T | A | -0.5945 | |
| 336 | T | A | -1.3150 | |
| 337 | D | A | -1.8969 | |
| 338 | K | A | -2.5257 | |
| 339 | S | A | -1.3699 | |
| 340 | S | A | -1.2727 | |
| 341 | S | A | -1.3756 | |
| 342 | T | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | Y | A | -0.5912 | |
| 345 | M | A | 0.0000 | |
| 346 | Q | A | -1.3544 | |
| 347 | L | A | 0.0000 | |
| 348 | S | A | -1.1209 | |
| 349 | S | A | -0.9876 | |
| 350 | L | A | 0.0000 | |
| 351 | T | A | -0.8162 | |
| 352 | S | A | 0.0000 | |
| 353 | E | A | -0.7122 | |
| 354 | D | A | 0.0000 | |
| 355 | S | A | -0.1782 | |
| 356 | A | A | 0.0000 | |
| 357 | V | A | 0.0791 | |
| 358 | Y | A | 0.0000 | |
| 359 | Y | A | 0.0000 | |
| 360 | C | A | 0.0000 | |
| 361 | A | A | 0.0000 | |
| 362 | R | A | 0.0000 | |
| 363 | Y | A | -0.4781 | |
| 364 | Y | A | -1.1569 | |
| 365 | D | A | -2.3900 | |
| 366 | D | A | -2.5149 | |
| 367 | H | A | -1.4904 | |
| 368 | Y | A | -0.8342 | |
| 369 | C | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | D | A | -0.5437 | |
| 372 | Y | A | -0.0699 | |
| 373 | W | A | -0.0685 | |
| 374 | G | A | 0.0000 | |
| 375 | Q | A | -0.8086 | |
| 376 | G | A | -0.5170 | |
| 377 | T | A | 0.0000 | |
| 378 | T | A | -0.2005 | |
| 379 | L | A | 0.0000 | |
| 380 | T | A | -0.2103 | |
| 381 | V | A | 0.0000 | |
| 382 | S | A | 0.0000 | |
| 383 | S | A | -1.1300 | |
| 384 | G | A | -1.1675 | |
| 385 | G | A | -0.6684 | |
| 386 | G | A | -0.7044 | |
| 387 | G | A | -0.0035 | |
| 388 | S | A | -0.4238 | |
| 389 | G | A | 0.0000 | |
| 390 | G | A | -0.7457 | |
| 391 | G | A | -0.7001 | |
| 392 | G | A | -0.9688 | |
| 393 | S | A | -1.3091 | |
| 394 | G | A | -1.1951 | |
| 395 | G | A | -1.1892 | |
| 396 | G | A | -1.1906 | |
| 397 | G | A | -1.1420 | |
| 398 | S | A | -1.1132 | |
| 399 | D | A | -1.2976 | |
| 400 | I | A | 0.0000 | |
| 401 | Q | A | -1.0141 | |
| 402 | L | A | 0.0000 | |
| 403 | T | A | -0.9352 | |
| 404 | Q | A | 0.0000 | |
| 405 | S | A | -0.2245 | |
| 406 | P | A | 0.2443 | |
| 407 | A | A | 0.5646 | |
| 408 | I | A | 1.2277 | |
| 409 | M | A | 0.2766 | |
| 410 | S | A | -0.7223 | |
| 411 | A | A | 0.0000 | |
| 412 | S | A | -1.6446 | |
| 413 | P | A | -1.8103 | |
| 414 | G | A | -1.8747 | |
| 415 | E | A | -2.5175 | |
| 416 | K | A | -2.6641 | |
| 417 | V | A | 0.0000 | |
| 418 | T | A | -0.5809 | |
| 419 | M | A | 0.0000 | |
| 420 | T | A | -0.5050 | |
| 421 | C | A | 0.0000 | |
| 422 | R | A | -1.7007 | |
| 423 | A | A | 0.0000 | |
| 424 | S | A | -0.9393 | |
| 425 | S | A | -0.7392 | |
| 426 | S | A | -0.6642 | |
| 427 | V | A | 0.0000 | |
| 428 | S | A | -0.4670 | |
| 429 | Y | A | -0.3632 | |
| 430 | M | A | 0.0000 | |
| 431 | N | A | 0.0000 | |
| 432 | W | A | 0.0000 | |
| 433 | Y | A | 0.0000 | |
| 434 | Q | A | 0.0000 | |
| 435 | Q | A | -1.2486 | |
| 436 | K | A | -1.6554 | |
| 437 | S | A | -0.9334 | |
| 438 | G | A | -0.9947 | |
| 439 | T | A | -1.1509 | |
| 440 | S | A | -1.0885 | |
| 441 | P | A | 0.0000 | |
| 442 | K | A | -1.7705 | |
| 443 | R | A | 0.0000 | |
| 444 | W | A | 0.0000 | |
| 445 | I | A | 0.0000 | |
| 446 | Y | A | -0.3896 | |
| 447 | D | A | -0.9969 | |
| 448 | T | A | -0.8068 | |
| 449 | S | A | -0.8170 | |
| 450 | K | A | -0.8526 | |
| 451 | V | A | 0.3599 | |
| 452 | A | A | 0.0000 | |
| 453 | S | A | -0.3222 | |
| 454 | G | A | -0.2000 | |
| 455 | V | A | 0.0816 | |
| 456 | P | A | 0.5491 | |
| 457 | Y | A | 1.2384 | |
| 458 | R | A | 0.0202 | |
| 459 | F | A | 0.0000 | |
| 460 | S | A | -0.0690 | |
| 461 | G | A | 0.0000 | |
| 462 | S | A | -0.7432 | |
| 463 | G | A | -0.7668 | |
| 464 | S | A | -0.7107 | |
| 465 | G | A | -0.7030 | |
| 466 | T | A | -0.8750 | |
| 467 | S | A | -0.9493 | |
| 468 | Y | A | 0.0000 | |
| 469 | S | A | -0.4975 | |
| 470 | L | A | 0.0000 | |
| 471 | T | A | -0.5808 | |
| 472 | I | A | 0.0000 | |
| 473 | S | A | -1.3033 | |
| 474 | S | A | -1.8189 | |
| 475 | M | A | 0.0000 | |
| 476 | E | A | -2.1642 | |
| 477 | A | A | -1.6972 | |
| 478 | E | A | -2.2756 | |
| 479 | D | A | 0.0000 | |
| 480 | A | A | -1.4945 | |
| 481 | A | A | -1.1346 | |
| 482 | T | A | -0.6456 | |
| 483 | Y | A | 0.0000 | |
| 484 | Y | A | 0.0000 | |
| 485 | C | A | 0.0000 | |
| 486 | Q | A | 0.0000 | |
| 487 | Q | A | 0.0000 | |
| 488 | W | A | 0.0000 | |
| 489 | S | A | -0.3999 | |
| 490 | S | A | -0.9371 | |
| 491 | N | A | -1.5173 | |
| 492 | P | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | T | A | -0.5216 | |
| 495 | F | A | 0.0000 | |
| 496 | G | A | 0.0000 | |
| 497 | A | A | -0.3860 | |
| 498 | G | A | 0.0000 | |
| 499 | T | A | 0.0000 | |
| 500 | K | A | -0.6830 | |
| 501 | L | A | 0.0000 | |
| 502 | E | A | -1.4287 | |
| 503 | L | A | -1.1152 | |
| 504 | K | A | -1.7422 |
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 | -0.5828 | 2.0912 | View | CSV | PDB |
| 4.5 | -0.6179 | 2.0912 | View | CSV | PDB |
| 5.0 | -0.6606 | 2.0912 | View | CSV | PDB |
| 5.5 | -0.7032 | 2.0912 | View | CSV | PDB |
| 6.0 | -0.7369 | 2.0912 | View | CSV | PDB |
| 6.5 | -0.7544 | 2.0912 | View | CSV | PDB |
| 7.0 | -0.7555 | 2.0912 | View | CSV | PDB |
| 7.5 | -0.7458 | 2.0912 | View | CSV | PDB |
| 8.0 | -0.7303 | 2.123 | View | CSV | PDB |
| 8.5 | -0.7101 | 2.237 | View | CSV | PDB |
| 9.0 | -0.6842 | 2.3535 | 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