| Chain sequence(s) |
A: EEDPIFTQLAQKMAAAAPVDLLAQYMQVEAHDWHNRVRGAILGLISAVPKVGAAISRLIGLFWPANKVDIWEALRAEEYIRNIVQQELFEFEMRLLENDIQALETTVGRYDTAALTEKGNFLSIWISQADALYIRMRNSTNNIHLLLHMVTVSTLHLAALHERLTFGEELYGTNNSTNWTRDLVDKFETYTSDLIPNVFKRWKEWRPTQIEISAWVRRGSCGNLTCRPDVSYATVEDKISGALFSFQATNRNSTTLFLEVCEDHKTRMVNEAIADMASCLSPTFAFHKLLPDDIQTQFSPYDRQQFGQVFRGPYSQDLSHGLWTAFKNFRSRTTRSDQTLRDRILEVIIRAGHHVDAIQFVYDHSNPNLTTPGTVAGNAAGGTRHQVDVRDRPIQELRMEFSQDVLASLQLHFEDGTSTRKFGNELGWATRILTCTAPYGYRFSSWAFREDPGPYRTTAISVLRFQFTPELDMPLPASY
B: EDPIFTQLAQKMAAAAEKEEVPVDLLAQYMQVEAHDWHNRVRGAILGLISAVPKVGAAISRLIGLFWPANKVDIWEALRAEEYIRNIVQQELFEFEMRLLENDIQALETTVGRYDTAALTEKGNFLSIWISQADALYIRMRNSTNNIHLLLHMVTVSTLHLAALHERLTFGEELYGTNNSTNWTRDLVDKFETYTSDLIPNVFKRWKEWRPTQIEISAWVRRGSCGNLTCRPDVSYATVEDKISGALFSFQATNRNSTTLFLEVCEDHKTRMVNEAIADMASCLSPTFAFHKLLPDDIQTQFSPYDRQQFGQVFRGPYSQDLSHGLWTAFKNFRSRTTRSDQTLRDRILEVIIRAGHHVDAIQFVYDHSNPNLTTPGTVAGNAAGGTRHQVDVRDRPIQELRMEFSQDVLASLQLHFEDGTSTRKFGNELGWATRILTCTAPYGYRFSSWAFREDPGPYRTTAISVLRFQFTPELDMPLPASY input PDB |
| Selected Chain(s) | A,B |
| 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] (00:00:02)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:02)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:02)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:02)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/79664d37fb24d94/tmp/folded.pdb (00:20:37)
[INFO] Main: Simulation completed successfully. (00:29:13)
|
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 |
|---|---|---|---|---|
| 27 | E | B | -2.3719 | |
| 28 | D | B | -1.6591 | |
| 29 | P | B | -0.9604 | |
| 30 | I | B | -0.3199 | |
| 31 | F | B | 0.0000 | |
| 32 | T | B | -1.3733 | |
| 33 | Q | B | -1.4966 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | -1.0533 | |
| 36 | Q | B | -2.0606 | |
| 37 | K | B | -1.6960 | |
| 38 | M | B | 0.0000 | |
| 39 | A | B | -1.7110 | |
| 40 | A | B | -1.7644 | |
| 41 | A | B | -1.9508 | |
| 42 | A | B | -2.5773 | |
| 43 | E | B | -3.3768 | |
| 44 | K | B | -3.6442 | |
| 45 | E | B | -3.4841 | |
| 46 | E | B | -3.0578 | |
| 47 | V | B | -1.4831 | |
| 48 | P | B | -1.2659 | |
| 49 | V | B | -0.4906 | |
| 50 | D | B | -0.0852 | |
| 51 | L | B | -0.4484 | |
| 52 | L | B | 0.0000 | |
| 53 | A | B | -0.3455 | |
| 54 | Q | B | -0.8354 | |
| 55 | Y | B | -0.1099 | |
| 56 | M | B | -0.2599 | |
| 57 | Q | B | -0.9257 | |
| 58 | V | B | -0.3823 | |
| 59 | E | B | -0.6517 | |
| 60 | A | B | -0.6268 | |
| 61 | H | B | 0.0000 | |
| 62 | D | B | -0.4256 | |
| 63 | W | B | 0.0000 | |
| 64 | H | B | 0.0000 | |
| 65 | N | B | 0.0000 | |
| 66 | R | B | 0.0000 | |
| 67 | V | B | 0.0000 | |
| 68 | R | B | 0.0000 | |
| 69 | G | B | -0.0347 | |
| 70 | A | B | 0.0000 | |
| 71 | I | B | 0.0000 | |
| 72 | L | B | 0.4345 | |
| 73 | G | B | 0.1031 | |
| 74 | L | B | 0.0000 | |
| 75 | I | B | 0.7860 | |
| 76 | S | B | 0.6150 | |
| 77 | A | B | 0.3974 | |
| 78 | V | B | 1.2857 | |
| 79 | P | B | -0.0899 | |
| 80 | K | B | -1.2538 | |
| 81 | V | B | -0.7850 | |
| 82 | G | B | -0.7939 | |
| 83 | A | B | -0.8731 | |
| 84 | A | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | S | B | -1.1716 | |
| 87 | R | B | -1.8960 | |
| 88 | L | B | 0.0000 | |
| 89 | I | B | -0.6434 | |
| 90 | G | B | -0.8552 | |
| 91 | L | B | -0.5143 | |
| 92 | F | B | 0.0000 | |
| 93 | W | B | 0.0000 | |
| 94 | P | B | -0.8774 | |
| 95 | A | B | -1.0848 | |
| 96 | N | B | -2.4257 | |
| 97 | K | B | -2.4422 | |
| 98 | V | B | -1.1750 | |
| 99 | D | B | -0.7403 | |
| 100 | I | B | 0.0000 | |
| 101 | W | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | L | B | 0.0000 | |
| 105 | R | B | -1.3468 | |
| 106 | A | B | -0.7608 | |
| 107 | E | B | 0.0000 | |
| 108 | E | B | -1.5327 | |
| 109 | Y | B | -1.0490 | |
| 110 | I | B | 0.0000 | |
| 111 | R | B | -2.3523 | |
| 112 | N | B | -1.3866 | |
| 113 | I | B | 0.0000 | |
| 114 | V | B | 0.0000 | |
| 115 | Q | B | -1.6418 | |
| 116 | Q | B | -2.2017 | |
| 117 | E | B | -2.2061 | |
| 118 | L | B | -0.8377 | |
| 119 | F | B | 0.0000 | |
| 120 | E | B | -2.1248 | |
| 121 | F | B | 0.0509 | |
| 122 | E | B | 0.0000 | |
| 123 | M | B | -1.4743 | |
| 124 | R | B | -2.1269 | |
| 125 | L | B | -0.8196 | |
| 126 | L | B | 0.0000 | |
| 127 | E | B | -3.2150 | |
| 128 | N | B | -2.8987 | |
| 129 | D | B | -2.0593 | |
| 130 | I | B | 0.0000 | |
| 131 | Q | B | -2.4382 | |
| 132 | A | B | -1.4711 | |
| 133 | L | B | 0.0000 | |
| 134 | E | B | -1.3332 | |
| 135 | T | B | -1.3676 | |
| 136 | T | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | G | B | -1.4390 | |
| 139 | R | B | -2.5059 | |
| 140 | Y | B | 0.0000 | |
| 141 | D | B | -1.1239 | |
| 142 | T | B | -1.0527 | |
| 143 | A | B | -0.9676 | |
| 144 | A | B | -0.4209 | |
| 145 | L | B | -0.1660 | |
| 146 | T | B | -0.8553 | |
| 147 | E | B | -1.6746 | |
| 148 | K | B | 0.0000 | |
| 149 | G | B | 0.0000 | |
| 150 | N | B | -1.4687 | |
| 151 | F | B | -0.7876 | |
| 152 | L | B | 0.0000 | |
| 153 | S | B | -0.0706 | |
| 154 | I | B | 0.4214 | |
| 155 | W | B | 0.0000 | |
| 156 | I | B | 0.1902 | |
| 157 | S | B | -0.1204 | |
| 158 | Q | B | -0.3542 | |
| 159 | A | B | 0.0000 | |
| 160 | D | B | -0.3665 | |
| 161 | A | B | -0.3633 | |
| 162 | L | B | 0.0000 | |
| 163 | Y | B | 0.0000 | |
| 164 | I | B | -0.2809 | |
| 165 | R | B | -1.2989 | |
| 166 | M | B | 0.0000 | |
| 167 | R | B | -1.5211 | |
| 168 | N | B | -1.8580 | |
| 169 | S | B | -1.1974 | |
| 170 | T | B | -0.7104 | |
| 171 | N | B | -0.3225 | |
| 172 | N | B | -1.0613 | |
| 173 | I | B | 0.0000 | |
| 174 | H | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | L | B | 0.0000 | |
| 178 | H | B | 0.0000 | |
| 179 | M | B | 0.0000 | |
| 180 | V | B | 0.0000 | |
| 181 | T | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 183 | S | B | 0.0000 | |
| 184 | T | B | 0.0000 | |
| 185 | L | B | 0.0000 | |
| 186 | H | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | L | B | 0.0000 | |
| 191 | H | B | -0.2025 | |
| 192 | E | B | 0.0000 | |
| 193 | R | B | -0.8016 | |
| 194 | L | B | -0.9362 | |
| 195 | T | B | -0.7612 | |
| 196 | F | B | 0.0000 | |
| 197 | G | B | 0.0000 | |
| 198 | E | B | -3.0408 | |
| 199 | E | B | -2.7013 | |
| 200 | L | B | 0.0000 | |
| 201 | Y | B | -1.4462 | |
| 202 | G | B | -1.8474 | |
| 203 | T | B | -1.6932 | |
| 204 | N | B | -2.4249 | |
| 205 | N | B | -1.6603 | |
| 206 | S | B | -1.5812 | |
| 207 | T | B | -1.3651 | |
| 208 | N | B | -1.9136 | |
| 209 | W | B | 0.0000 | |
| 210 | T | B | -1.7895 | |
| 211 | R | B | -3.1824 | |
| 212 | D | B | -3.1352 | |
| 213 | L | B | 0.0000 | |
| 214 | V | B | -2.0929 | |
| 215 | D | B | -3.1592 | |
| 216 | K | B | -2.2356 | |
| 217 | F | B | 0.0000 | |
| 218 | E | B | -1.9671 | |
| 219 | T | B | -1.3417 | |
| 220 | Y | B | 0.0000 | |
| 221 | T | B | 0.0000 | |
| 222 | S | B | -1.3538 | |
| 223 | D | B | -1.4008 | |
| 224 | L | B | -0.8779 | |
| 225 | I | B | 0.0000 | |
| 226 | P | B | 0.0000 | |
| 227 | N | B | -1.8783 | |
| 228 | V | B | 0.0000 | |
| 229 | F | B | 0.0000 | |
| 230 | K | B | -2.6370 | |
| 231 | R | B | -2.6651 | |
| 232 | W | B | 0.0000 | |
| 233 | K | B | -2.0963 | |
| 234 | E | B | -2.6873 | |
| 235 | W | B | -1.3807 | |
| 236 | R | B | 0.0000 | |
| 237 | P | B | -1.0641 | |
| 238 | T | B | -1.1409 | |
| 239 | Q | B | -1.3581 | |
| 240 | I | B | 0.0000 | |
| 241 | E | B | -2.3559 | |
| 242 | I | B | -0.9831 | |
| 243 | S | B | -0.2508 | |
| 244 | A | B | 0.6022 | |
| 245 | W | B | 0.4824 | |
| 246 | V | B | -0.5833 | |
| 247 | R | B | -1.8568 | |
| 248 | R | B | -2.8961 | |
| 249 | G | B | -1.9147 | |
| 250 | S | B | -0.9049 | |
| 251 | C | B | 0.1961 | |
| 252 | G | B | -0.8165 | |
| 253 | N | B | -1.5532 | |
| 254 | L | B | -0.8182 | |
| 255 | T | B | -0.1717 | |
| 256 | C | B | -0.0342 | |
| 257 | R | B | -1.5560 | |
| 258 | P | B | -2.1723 | |
| 259 | D | B | -2.6553 | |
| 260 | V | B | 0.0000 | |
| 261 | S | B | 0.0000 | |
| 262 | Y | B | 0.1546 | |
| 263 | A | B | 0.0000 | |
| 264 | T | B | 0.0992 | |
| 265 | V | B | 0.0000 | |
| 266 | E | B | -1.1324 | |
| 267 | D | B | 0.0000 | |
| 268 | K | B | -2.1681 | |
| 269 | I | B | -1.3398 | |
| 270 | S | B | -1.1315 | |
| 271 | G | B | -1.1590 | |
| 272 | A | B | -0.1047 | |
| 273 | L | B | 0.4774 | |
| 274 | F | B | 0.6274 | |
| 275 | S | B | 0.2650 | |
| 276 | F | B | 0.0000 | |
| 277 | Q | B | 0.1752 | |
| 278 | A | B | 0.0000 | |
| 279 | T | B | -1.8321 | |
| 280 | N | B | -2.5854 | |
| 281 | R | B | -1.7574 | |
| 282 | N | B | -2.0662 | |
| 283 | S | B | -0.6369 | |
| 284 | T | B | 0.1115 | |
| 285 | T | B | -0.1719 | |
| 286 | L | B | -0.3948 | |
| 287 | F | B | 0.0000 | |
| 288 | L | B | -0.9363 | |
| 289 | E | B | -2.4838 | |
| 290 | V | B | 0.0000 | |
| 291 | C | B | 0.0000 | |
| 292 | E | B | -2.7683 | |
| 293 | D | B | -2.2015 | |
| 294 | H | B | 0.0000 | |
| 295 | K | B | -1.6827 | |
| 296 | T | B | -1.1687 | |
| 297 | R | B | -1.0351 | |
| 298 | M | B | 0.0000 | |
| 299 | V | B | -0.1801 | |
| 300 | N | B | -0.1727 | |
| 301 | E | B | -0.2255 | |
| 302 | A | B | 0.0000 | |
| 303 | I | B | 0.0531 | |
| 304 | A | B | 0.0000 | |
| 305 | D | B | 0.0000 | |
| 306 | M | B | 0.0000 | |
| 307 | A | B | 0.0000 | |
| 308 | S | B | 0.0000 | |
| 309 | C | B | 0.0000 | |
| 310 | L | B | 0.0000 | |
| 311 | S | B | 0.0000 | |
| 312 | P | B | 0.0000 | |
| 313 | T | B | 0.0000 | |
| 314 | F | B | 0.0000 | |
| 315 | A | B | -0.3754 | |
| 316 | F | B | 0.0000 | |
| 317 | H | B | -0.8648 | |
| 318 | K | B | -1.2138 | |
| 319 | L | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | P | B | -1.6018 | |
| 322 | D | B | -2.8313 | |
| 323 | D | B | -2.6980 | |
| 324 | I | B | -1.4169 | |
| 325 | Q | B | -1.7065 | |
| 326 | T | B | -1.2320 | |
| 327 | Q | B | -1.3258 | |
| 328 | F | B | -0.5795 | |
| 329 | S | B | -0.9288 | |
| 330 | P | B | -0.8157 | |
| 331 | Y | B | 0.0000 | |
| 332 | D | B | -1.9869 | |
| 333 | R | B | -2.8552 | |
| 334 | Q | B | -2.4103 | |
| 335 | Q | B | -1.8980 | |
| 336 | F | B | 0.0000 | |
| 337 | G | B | 0.0000 | |
| 338 | Q | B | -1.3346 | |
| 339 | V | B | 0.0000 | |
| 340 | F | B | 0.0174 | |
| 341 | R | B | 0.0000 | |
| 342 | G | B | 0.0000 | |
| 343 | P | B | 0.0000 | |
| 344 | Y | B | 0.0000 | |
| 345 | S | B | 0.0000 | |
| 346 | Q | B | 0.0000 | |
| 347 | D | B | 0.0000 | |
| 348 | L | B | 0.0000 | |
| 349 | S | B | -0.2594 | |
| 350 | H | B | -0.3540 | |
| 351 | G | B | 0.0666 | |
| 352 | L | B | 0.1923 | |
| 353 | W | B | 0.0000 | |
| 354 | T | B | -0.1822 | |
| 355 | A | B | 0.0000 | |
| 356 | F | B | -0.5553 | |
| 357 | K | B | 0.0000 | |
| 358 | N | B | -1.7037 | |
| 359 | F | B | -1.0289 | |
| 360 | R | B | -1.1606 | |
| 361 | S | B | 0.0000 | |
| 362 | R | B | -2.5440 | |
| 363 | T | B | 0.0000 | |
| 364 | T | B | -1.7563 | |
| 365 | R | B | -2.5022 | |
| 366 | S | B | -1.2999 | |
| 367 | D | B | 0.0000 | |
| 368 | Q | B | -0.3219 | |
| 369 | T | B | 0.0272 | |
| 370 | L | B | 0.9157 | |
| 371 | R | B | -0.4744 | |
| 372 | D | B | -1.1268 | |
| 373 | R | B | -1.7128 | |
| 374 | I | B | -1.1477 | |
| 375 | L | B | -1.4114 | |
| 376 | E | B | -1.2062 | |
| 377 | V | B | 0.0000 | |
| 378 | I | B | -0.8931 | |
| 379 | I | B | 0.0000 | |
| 380 | R | B | -1.5191 | |
| 381 | A | B | 0.0000 | |
| 382 | G | B | -1.3577 | |
| 383 | H | B | -1.2109 | |
| 384 | H | B | -0.9264 | |
| 385 | V | B | 0.0000 | |
| 386 | D | B | -0.9489 | |
| 387 | A | B | 0.0000 | |
| 388 | I | B | 0.0000 | |
| 389 | Q | B | -0.0367 | |
| 390 | F | B | 0.0000 | |
| 391 | V | B | 0.0000 | |
| 392 | Y | B | 0.0000 | |
| 393 | D | B | -1.1765 | |
| 394 | H | B | -0.8979 | |
| 395 | S | B | -0.7920 | |
| 396 | N | B | -0.9485 | |
| 397 | P | B | -1.0069 | |
| 398 | N | B | -1.1686 | |
| 399 | L | B | 0.0060 | |
| 400 | T | B | -0.2867 | |
| 401 | T | B | -0.4119 | |
| 402 | P | B | -0.1800 | |
| 403 | G | B | -0.1038 | |
| 404 | T | B | -0.0262 | |
| 405 | V | B | 0.7800 | |
| 406 | A | B | 0.0000 | |
| 407 | G | B | -0.4471 | |
| 408 | N | B | -0.4068 | |
| 409 | A | B | -0.2381 | |
| 410 | A | B | -0.4290 | |
| 411 | G | B | -0.7408 | |
| 412 | G | B | -1.2763 | |
| 413 | T | B | -1.4452 | |
| 414 | R | B | -2.4235 | |
| 415 | H | B | -1.7812 | |
| 416 | Q | B | -1.8911 | |
| 417 | V | B | 0.0000 | |
| 418 | D | B | -1.8539 | |
| 419 | V | B | 0.0000 | |
| 420 | R | B | -3.1739 | |
| 421 | D | B | -3.1997 | |
| 422 | R | B | -2.9165 | |
| 423 | P | B | -2.2051 | |
| 424 | I | B | 0.0000 | |
| 425 | Q | B | -1.2768 | |
| 426 | E | B | -0.7174 | |
| 427 | L | B | 0.0000 | |
| 428 | R | B | -0.1535 | |
| 429 | M | B | 0.0000 | |
| 430 | E | B | -0.3062 | |
| 431 | F | B | 0.0000 | |
| 432 | S | B | 0.0000 | |
| 433 | Q | B | 0.0000 | |
| 434 | D | B | 0.0000 | |
| 435 | V | B | 0.0000 | |
| 436 | L | B | 0.0000 | |
| 437 | A | B | 0.0000 | |
| 438 | S | B | 0.0000 | |
| 439 | L | B | 0.0000 | |
| 440 | Q | B | 0.0000 | |
| 441 | L | B | 0.0000 | |
| 442 | H | B | -1.0391 | |
| 443 | F | B | 0.0000 | |
| 444 | E | B | -2.6776 | |
| 445 | D | B | -2.5749 | |
| 446 | G | B | -1.4536 | |
| 447 | T | B | -0.8430 | |
| 448 | S | B | -0.6151 | |
| 449 | T | B | 0.0000 | |
| 450 | R | B | -0.9861 | |
| 451 | K | B | -1.0025 | |
| 452 | F | B | 0.0000 | |
| 453 | G | B | 0.0000 | |
| 454 | N | B | 0.0000 | |
| 455 | E | B | -1.2152 | |
| 456 | L | B | 0.2243 | |
| 457 | G | B | -0.1463 | |
| 458 | W | B | -0.1895 | |
| 459 | A | B | 0.0000 | |
| 460 | T | B | -0.5238 | |
| 461 | R | B | -0.8529 | |
| 462 | I | B | 0.0675 | |
| 463 | L | B | 0.2045 | |
| 464 | T | B | 0.0668 | |
| 465 | C | B | 0.0000 | |
| 466 | T | B | -0.2103 | |
| 467 | A | B | 0.0000 | |
| 468 | P | B | 0.0000 | |
| 469 | Y | B | 0.0990 | |
| 470 | G | B | 0.0000 | |
| 471 | Y | B | 0.0000 | |
| 472 | R | B | -0.6124 | |
| 473 | F | B | 0.0000 | |
| 474 | S | B | 0.0000 | |
| 475 | S | B | 0.0000 | |
| 476 | W | B | 0.0000 | |
| 477 | A | B | 0.0000 | |
| 478 | F | B | 0.0000 | |
| 479 | R | B | -1.9755 | |
| 480 | E | B | -1.6902 | |
| 481 | D | B | -1.1427 | |
| 482 | P | B | -1.0530 | |
| 483 | G | B | -0.9132 | |
| 484 | P | B | 0.0000 | |
| 485 | Y | B | -0.5697 | |
| 486 | R | B | -1.7218 | |
| 487 | T | B | -0.9901 | |
| 488 | T | B | -0.9139 | |
| 489 | A | B | 0.0000 | |
| 490 | I | B | 0.0000 | |
| 491 | S | B | 0.0000 | |
| 492 | V | B | 0.0000 | |
| 493 | L | B | 0.0000 | |
| 494 | R | B | -0.9136 | |
| 495 | F | B | 0.0000 | |
| 496 | Q | B | 0.0000 | |
| 497 | F | B | 0.0000 | |
| 498 | T | B | 0.0000 | |
| 499 | P | B | 0.0000 | |
| 500 | E | B | -0.5457 | |
| 501 | L | B | -0.3383 | |
| 502 | D | B | -1.4447 | |
| 503 | M | B | -0.7530 | |
| 504 | P | B | -0.4860 | |
| 505 | L | B | 0.1095 | |
| 506 | P | B | -0.0641 | |
| 507 | A | B | 0.0726 | |
| 508 | S | B | 0.0490 | |
| 509 | Y | B | 0.1534 | |
| 26 | E | A | -2.3563 | |
| 27 | E | A | -1.8773 | |
| 28 | D | A | -1.2541 | |
| 29 | P | A | -0.7704 | |
| 30 | I | A | -0.0707 | |
| 31 | F | A | 0.0000 | |
| 32 | T | A | -1.1500 | |
| 33 | Q | A | -1.5157 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -1.0927 | |
| 36 | Q | A | -1.9415 | |
| 37 | K | A | -1.8524 | |
| 38 | M | A | 0.0000 | |
| 39 | A | A | -1.1328 | |
| 40 | A | A | -0.7385 | |
| 41 | A | A | -0.2828 | |
| 42 | A | A | -0.3139 | |
| 48 | P | A | -0.2306 | |
| 49 | V | A | -0.2232 | |
| 50 | D | A | -0.2163 | |
| 51 | L | A | -0.2737 | |
| 52 | L | A | 0.0000 | |
| 53 | A | A | -0.4041 | |
| 54 | Q | A | -0.7462 | |
| 55 | Y | A | -0.0451 | |
| 56 | M | A | -0.2472 | |
| 57 | Q | A | -0.7098 | |
| 58 | V | A | -0.2636 | |
| 59 | E | A | -0.5242 | |
| 60 | A | A | -0.4206 | |
| 61 | H | A | 0.0000 | |
| 62 | D | A | -0.3051 | |
| 63 | W | A | 0.0000 | |
| 64 | H | A | 0.0000 | |
| 65 | N | A | 0.0000 | |
| 66 | R | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | R | A | 0.0000 | |
| 69 | G | A | 0.0000 | |
| 70 | A | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | L | A | 0.7057 | |
| 73 | G | A | 0.2518 | |
| 74 | L | A | 0.0000 | |
| 75 | I | A | 1.1371 | |
| 76 | S | A | 0.7466 | |
| 77 | A | A | 0.5222 | |
| 78 | V | A | 1.2333 | |
| 79 | P | A | -0.0849 | |
| 80 | K | A | -1.3547 | |
| 81 | V | A | -0.6561 | |
| 82 | G | A | -0.5196 | |
| 83 | A | A | 0.0000 | |
| 84 | A | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | S | A | -1.1799 | |
| 87 | R | A | -1.9292 | |
| 88 | L | A | 0.0000 | |
| 89 | I | A | 0.0000 | |
| 90 | G | A | -0.9279 | |
| 91 | L | A | -0.5644 | |
| 92 | F | A | 0.0000 | |
| 93 | W | A | 0.0000 | |
| 94 | P | A | -1.1525 | |
| 95 | A | A | -1.2606 | |
| 96 | N | A | -2.4424 | |
| 97 | K | A | -2.6009 | |
| 98 | V | A | -1.3172 | |
| 99 | D | A | -0.8558 | |
| 100 | I | A | 0.0000 | |
| 101 | W | A | 0.0000 | |
| 102 | E | A | -0.6493 | |
| 103 | A | A | 0.0000 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -1.2618 | |
| 106 | A | A | -0.7815 | |
| 107 | E | A | 0.0000 | |
| 108 | E | A | -1.1035 | |
| 109 | Y | A | -0.8359 | |
| 110 | I | A | 0.0000 | |
| 111 | R | A | -2.2903 | |
| 112 | N | A | -1.4212 | |
| 113 | I | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | Q | A | -1.5107 | |
| 116 | Q | A | -1.7486 | |
| 117 | E | A | -1.7472 | |
| 118 | L | A | -0.4103 | |
| 119 | F | A | 0.0000 | |
| 120 | E | A | -0.9547 | |
| 121 | F | A | 0.4579 | |
| 122 | E | A | 0.0000 | |
| 123 | M | A | 0.0000 | |
| 124 | R | A | -1.4664 | |
| 125 | L | A | -0.3355 | |
| 126 | L | A | 0.0000 | |
| 127 | E | A | -2.7076 | |
| 128 | N | A | -2.9926 | |
| 129 | D | A | -2.9625 | |
| 130 | I | A | 0.0000 | |
| 131 | Q | A | -2.3769 | |
| 132 | A | A | -1.7455 | |
| 133 | L | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | T | A | -1.3471 | |
| 136 | T | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | G | A | -1.3199 | |
| 139 | R | A | -2.4333 | |
| 140 | Y | A | 0.0000 | |
| 141 | D | A | -1.0793 | |
| 142 | T | A | -0.9977 | |
| 143 | A | A | -0.9990 | |
| 144 | A | A | -0.2055 | |
| 145 | L | A | 0.2024 | |
| 146 | T | A | -0.5104 | |
| 147 | E | A | -1.4946 | |
| 148 | K | A | 0.0000 | |
| 149 | G | A | 0.0000 | |
| 150 | N | A | -1.3657 | |
| 151 | F | A | -0.8032 | |
| 152 | L | A | 0.0000 | |
| 153 | S | A | -0.0985 | |
| 154 | I | A | 0.4235 | |
| 155 | W | A | 0.0000 | |
| 156 | I | A | 0.1792 | |
| 157 | S | A | -0.0750 | |
| 158 | Q | A | -0.4736 | |
| 159 | A | A | 0.0000 | |
| 160 | D | A | -0.3867 | |
| 161 | A | A | -0.5717 | |
| 162 | L | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | I | A | -0.4624 | |
| 165 | R | A | -1.4681 | |
| 166 | M | A | 0.0000 | |
| 167 | R | A | -1.5658 | |
| 168 | N | A | -1.8703 | |
| 169 | S | A | 0.0000 | |
| 170 | T | A | -0.6492 | |
| 171 | N | A | -0.3159 | |
| 172 | N | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | H | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | H | A | 0.0000 | |
| 179 | M | A | 0.0000 | |
| 180 | V | A | 0.0000 | |
| 181 | T | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 183 | S | A | 0.0000 | |
| 184 | T | A | 0.0000 | |
| 185 | L | A | 0.0000 | |
| 186 | H | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | L | A | 0.0000 | |
| 191 | H | A | -0.1134 | |
| 192 | E | A | 0.0000 | |
| 193 | R | A | -0.7514 | |
| 194 | L | A | -0.8164 | |
| 195 | T | A | -0.8014 | |
| 196 | F | A | 0.0000 | |
| 197 | G | A | 0.0000 | |
| 198 | E | A | -3.1975 | |
| 199 | E | A | -2.7829 | |
| 200 | L | A | -1.3554 | |
| 201 | Y | A | -1.3173 | |
| 202 | G | A | -1.8939 | |
| 203 | T | A | -1.7171 | |
| 204 | N | A | -2.4524 | |
| 205 | N | A | -1.8328 | |
| 206 | S | A | -1.6812 | |
| 207 | T | A | -1.3943 | |
| 208 | N | A | -1.8716 | |
| 209 | W | A | 0.0000 | |
| 210 | T | A | -1.6339 | |
| 211 | R | A | -2.8754 | |
| 212 | D | A | -2.3797 | |
| 213 | L | A | 0.0000 | |
| 214 | V | A | -1.8125 | |
| 215 | D | A | -2.8461 | |
| 216 | K | A | -1.9484 | |
| 217 | F | A | 0.0000 | |
| 218 | E | A | -1.6839 | |
| 219 | T | A | -1.2768 | |
| 220 | Y | A | 0.0000 | |
| 221 | T | A | 0.0000 | |
| 222 | S | A | -1.3260 | |
| 223 | D | A | -1.3813 | |
| 224 | L | A | 0.0000 | |
| 225 | I | A | 0.0000 | |
| 226 | P | A | 0.0000 | |
| 227 | N | A | -1.7796 | |
| 228 | V | A | 0.0000 | |
| 229 | F | A | 0.0000 | |
| 230 | K | A | -2.4743 | |
| 231 | R | A | -2.6299 | |
| 232 | W | A | 0.0000 | |
| 233 | K | A | -2.3619 | |
| 234 | E | A | -2.7661 | |
| 235 | W | A | -1.4470 | |
| 236 | R | A | 0.0000 | |
| 237 | P | A | -1.1295 | |
| 238 | T | A | -1.1930 | |
| 239 | Q | A | -1.3243 | |
| 240 | I | A | 0.0000 | |
| 241 | E | A | -2.4546 | |
| 242 | I | A | -0.9490 | |
| 243 | S | A | -0.2607 | |
| 244 | A | A | 0.6698 | |
| 245 | W | A | 0.7857 | |
| 246 | V | A | -0.5855 | |
| 247 | R | A | -1.7850 | |
| 248 | R | A | -2.9239 | |
| 249 | G | A | -1.6775 | |
| 250 | S | A | -0.6449 | |
| 251 | C | A | 0.3973 | |
| 252 | G | A | -0.7547 | |
| 253 | N | A | -1.6831 | |
| 254 | L | A | -0.8985 | |
| 255 | T | A | -0.0066 | |
| 256 | C | A | 0.3541 | |
| 257 | R | A | -0.8653 | |
| 258 | P | A | -1.9450 | |
| 259 | D | A | -2.7953 | |
| 260 | V | A | 0.0000 | |
| 261 | S | A | 0.0000 | |
| 262 | Y | A | 0.0775 | |
| 263 | A | A | 0.0000 | |
| 264 | T | A | 0.1679 | |
| 265 | V | A | 0.0000 | |
| 266 | E | A | -1.3844 | |
| 267 | D | A | 0.0000 | |
| 268 | K | A | -2.2402 | |
| 269 | I | A | -1.4463 | |
| 270 | S | A | -1.1849 | |
| 271 | G | A | -1.1679 | |
| 272 | A | A | -0.1130 | |
| 273 | L | A | 0.7968 | |
| 274 | F | A | 0.7746 | |
| 275 | S | A | 0.5122 | |
| 276 | F | A | 0.0000 | |
| 277 | Q | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | T | A | -2.0563 | |
| 280 | N | A | -2.7807 | |
| 281 | R | A | -3.1765 | |
| 282 | N | A | -2.6763 | |
| 283 | S | A | -0.9930 | |
| 284 | T | A | -0.0125 | |
| 285 | T | A | -0.1567 | |
| 286 | L | A | -0.3476 | |
| 287 | F | A | 0.0000 | |
| 288 | L | A | -0.8972 | |
| 289 | E | A | -2.4480 | |
| 290 | V | A | 0.0000 | |
| 291 | C | A | 0.0000 | |
| 292 | E | A | -2.8307 | |
| 293 | D | A | -2.1550 | |
| 294 | H | A | 0.0000 | |
| 295 | K | A | -1.7049 | |
| 296 | T | A | -1.1402 | |
| 297 | R | A | -1.0026 | |
| 298 | M | A | 0.0000 | |
| 299 | V | A | -0.2652 | |
| 300 | N | A | -0.2031 | |
| 301 | E | A | -0.2899 | |
| 302 | A | A | 0.0000 | |
| 303 | I | A | -0.1048 | |
| 304 | A | A | 0.0000 | |
| 305 | D | A | 0.0000 | |
| 306 | M | A | 0.0000 | |
| 307 | A | A | 0.0000 | |
| 308 | S | A | 0.0000 | |
| 309 | C | A | 0.0000 | |
| 310 | L | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | P | A | 0.0000 | |
| 313 | T | A | 0.0000 | |
| 314 | F | A | 0.0000 | |
| 315 | A | A | 0.0000 | |
| 316 | F | A | 0.0000 | |
| 317 | H | A | -0.6108 | |
| 318 | K | A | -0.6020 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | P | A | -1.4144 | |
| 322 | D | A | -2.8703 | |
| 323 | D | A | -2.7272 | |
| 324 | I | A | -1.4879 | |
| 325 | Q | A | -1.6447 | |
| 326 | T | A | -1.2666 | |
| 327 | Q | A | -1.5354 | |
| 328 | F | A | -0.5885 | |
| 329 | S | A | -0.9389 | |
| 330 | P | A | -0.7788 | |
| 331 | Y | A | 0.0000 | |
| 332 | D | A | -1.9770 | |
| 333 | R | A | -2.8649 | |
| 334 | Q | A | -2.4064 | |
| 335 | Q | A | -1.8849 | |
| 336 | F | A | 0.0000 | |
| 337 | G | A | 0.0000 | |
| 338 | Q | A | -1.1908 | |
| 339 | V | A | 0.0000 | |
| 340 | F | A | -0.0033 | |
| 341 | R | A | 0.0000 | |
| 342 | G | A | 0.0000 | |
| 343 | P | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | S | A | 0.0000 | |
| 346 | Q | A | 0.0000 | |
| 347 | D | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | S | A | -0.0868 | |
| 350 | H | A | -0.0946 | |
| 351 | G | A | 0.2329 | |
| 352 | L | A | 0.6308 | |
| 353 | W | A | 0.0000 | |
| 354 | T | A | -0.0310 | |
| 355 | A | A | -0.3172 | |
| 356 | F | A | -0.7273 | |
| 357 | K | A | 0.0000 | |
| 358 | N | A | -1.7982 | |
| 359 | F | A | -1.1868 | |
| 360 | R | A | -1.0679 | |
| 361 | S | A | 0.0000 | |
| 362 | R | A | -2.6974 | |
| 363 | T | A | 0.0000 | |
| 364 | T | A | -1.6564 | |
| 365 | R | A | -2.3871 | |
| 366 | S | A | -1.3051 | |
| 367 | D | A | 0.0000 | |
| 368 | Q | A | -0.1575 | |
| 369 | T | A | 0.0089 | |
| 370 | L | A | 0.9253 | |
| 371 | R | A | -0.5266 | |
| 372 | D | A | -1.0952 | |
| 373 | R | A | -1.6837 | |
| 374 | I | A | 0.0000 | |
| 375 | L | A | -1.5150 | |
| 376 | E | A | -1.3395 | |
| 377 | V | A | 0.0000 | |
| 378 | I | A | 0.0000 | |
| 379 | I | A | 0.0000 | |
| 380 | R | A | -1.5884 | |
| 381 | A | A | 0.0000 | |
| 382 | G | A | -1.3719 | |
| 383 | H | A | -1.5476 | |
| 384 | H | A | 0.0000 | |
| 385 | V | A | 0.0000 | |
| 386 | D | A | -0.9384 | |
| 387 | A | A | 0.0000 | |
| 388 | I | A | 0.0000 | |
| 389 | Q | A | -0.0773 | |
| 390 | F | A | 0.0000 | |
| 391 | V | A | 0.0000 | |
| 392 | Y | A | 0.0000 | |
| 393 | D | A | -1.3783 | |
| 394 | H | A | -0.9529 | |
| 395 | S | A | -0.8583 | |
| 396 | N | A | -1.0650 | |
| 397 | P | A | -1.0515 | |
| 398 | N | A | -1.2194 | |
| 399 | L | A | -0.0733 | |
| 400 | T | A | -0.3395 | |
| 401 | T | A | -0.2844 | |
| 402 | P | A | -0.2030 | |
| 403 | G | A | -0.1358 | |
| 404 | T | A | 0.0152 | |
| 405 | V | A | 0.8514 | |
| 406 | A | A | 0.0000 | |
| 407 | G | A | -0.2557 | |
| 408 | N | A | -0.3264 | |
| 409 | A | A | -0.2806 | |
| 410 | A | A | -0.4487 | |
| 411 | G | A | -0.7487 | |
| 412 | G | A | -1.2626 | |
| 413 | T | A | -1.3412 | |
| 414 | R | A | -2.4788 | |
| 415 | H | A | -1.8017 | |
| 416 | Q | A | -1.9879 | |
| 417 | V | A | 0.0000 | |
| 418 | D | A | -1.9575 | |
| 419 | V | A | 0.0000 | |
| 420 | R | A | -3.2814 | |
| 421 | D | A | -3.2200 | |
| 422 | R | A | -2.9467 | |
| 423 | P | A | -2.2632 | |
| 424 | I | A | 0.0000 | |
| 425 | Q | A | -1.2846 | |
| 426 | E | A | -0.6793 | |
| 427 | L | A | 0.0000 | |
| 428 | R | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | E | A | 0.0000 | |
| 431 | F | A | 0.0000 | |
| 432 | S | A | 0.0000 | |
| 433 | Q | A | 0.0000 | |
| 434 | D | A | 0.0000 | |
| 435 | V | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | A | A | 0.0000 | |
| 438 | S | A | 0.0000 | |
| 439 | L | A | 0.0000 | |
| 440 | Q | A | 0.0000 | |
| 441 | L | A | 0.0000 | |
| 442 | H | A | -1.0420 | |
| 443 | F | A | 0.0000 | |
| 444 | E | A | -2.5448 | |
| 445 | D | A | -2.5804 | |
| 446 | G | A | -1.5081 | |
| 447 | T | A | -0.9794 | |
| 448 | S | A | -0.6321 | |
| 449 | T | A | 0.0000 | |
| 450 | R | A | -0.7506 | |
| 451 | K | A | -0.8398 | |
| 452 | F | A | 0.0000 | |
| 453 | G | A | 0.0000 | |
| 454 | N | A | 0.0000 | |
| 455 | E | A | -1.9873 | |
| 456 | L | A | -0.9506 | |
| 457 | G | A | -0.6785 | |
| 458 | W | A | -0.2577 | |
| 459 | A | A | 0.0000 | |
| 460 | T | A | -0.2735 | |
| 461 | R | A | -0.3621 | |
| 462 | I | A | 0.3777 | |
| 463 | L | A | 0.3877 | |
| 464 | T | A | 0.1631 | |
| 465 | C | A | 0.0000 | |
| 466 | T | A | -0.1943 | |
| 467 | A | A | 0.0000 | |
| 468 | P | A | 0.0000 | |
| 469 | Y | A | 0.0920 | |
| 470 | G | A | 0.0000 | |
| 471 | Y | A | 0.0000 | |
| 472 | R | A | -0.5859 | |
| 473 | F | A | 0.0000 | |
| 474 | S | A | 0.0000 | |
| 475 | S | A | 0.0000 | |
| 476 | W | A | 0.0000 | |
| 477 | A | A | 0.0000 | |
| 478 | F | A | 0.0000 | |
| 479 | R | A | -1.5667 | |
| 480 | E | A | -1.0246 | |
| 481 | D | A | 0.0000 | |
| 482 | P | A | -0.8863 | |
| 483 | G | A | -0.8630 | |
| 484 | P | A | 0.0000 | |
| 485 | Y | A | -1.0090 | |
| 486 | R | A | -2.0792 | |
| 487 | T | A | -1.0369 | |
| 488 | T | A | -0.7442 | |
| 489 | A | A | 0.0000 | |
| 490 | I | A | 0.0000 | |
| 491 | S | A | 0.0000 | |
| 492 | V | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | R | A | -0.8951 | |
| 495 | F | A | 0.0000 | |
| 496 | Q | A | -0.3496 | |
| 497 | F | A | 0.0000 | |
| 498 | T | A | 0.0000 | |
| 499 | P | A | 0.0000 | |
| 500 | E | A | -0.7322 | |
| 501 | L | A | -0.6781 | |
| 502 | D | A | -1.6494 | |
| 503 | M | A | -0.8933 | |
| 504 | P | A | -0.5983 | |
| 505 | L | A | 0.0649 | |
| 506 | P | A | 0.1123 | |
| 507 | A | A | 0.0713 | |
| 508 | S | A | 0.0666 | |
| 509 | Y | A | 0.3767 |
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 | -0.5162 | 2.4428 | View | CSV | PDB |
| 4.5 | -0.5647 | 2.3656 | View | CSV | PDB |
| 5.0 | -0.6274 | 2.3329 | View | CSV | PDB |
| 5.5 | -0.6948 | 2.3329 | View | CSV | PDB |
| 6.0 | -0.7569 | 2.3329 | View | CSV | PDB |
| 6.5 | -0.806 | 2.3329 | View | CSV | PDB |
| 7.0 | -0.8387 | 2.3329 | View | CSV | PDB |
| 7.5 | -0.8575 | 2.3329 | View | CSV | PDB |
| 8.0 | -0.8674 | 2.3329 | View | CSV | PDB |
| 8.5 | -0.8713 | 2.3329 | View | CSV | PDB |
| 9.0 | -0.869 | 2.4994 | 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