| Chain sequence(s) |
A: MKHMPRKKYSCDFETTTKVEDCRVWAYGYMNIEDHSEYKIGNSLDEFMAWVLKVQADLYFHNLKFDGAFIINWLERNGFKWSADGLPNTYNTEISRMGQWYMIDICLGYKGKRKIHTVIYDSLKKLPFPVKKIAKDFKLTVLKGDIDYHKERPVGYKITPEEYAYIKNDIQIIAEALLIQFKQGLDRMTAGSDSLKGFKDIITTKKFKKVFPTLSLGLDKEVRYAYRGGFTWLNDRFKEKEIGEGMVFDVNSLYPAQMYSRLLPYGEPIRFEGKYVWDEDYPLHIQHIRCEFELKEGYIPTIQIKRSRDYKGNEYLKSSGGEIADLWLSNVDLELMKEHYDLYNVEYISGLKFKATTGLFKDFIDKWTYIKTTSEGAIKQLAKLMLNSLYGKFASNPDVTGKVPYLKENGALGFRLGEEETKDPVYTPMGVFITAWARYTTITAAQACYDRIIYCDTDSIHLTGTEIPDVIKDIVDPKKLGYWAHESTFKRAKYLRQKTYIQDIYMKEVDGKLVEGSPDDYTDIKFSVKCAGMTDKIKKEVTFENFKVGFSRKMKPKPVQVPGGVVLVDDTFTIK
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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/107d55566e8bc74/tmp/folded.pdb (00:10:30)
[INFO] Main: Simulation completed successfully. (00:13:04)
|
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 | M | A | 0.1355 | |
| 2 | K | A | -1.4071 | |
| 3 | H | A | -1.1382 | |
| 4 | M | A | -0.1790 | |
| 5 | P | A | -0.8467 | |
| 6 | R | A | -1.3350 | |
| 7 | K | A | -2.0630 | |
| 8 | K | A | -1.5380 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | C | A | 0.0000 | |
| 12 | D | A | -0.1947 | |
| 13 | F | A | 0.0388 | |
| 14 | E | A | 0.0000 | |
| 15 | T | A | -0.1323 | |
| 16 | T | A | 0.0000 | |
| 17 | T | A | -0.7193 | |
| 18 | K | A | -1.5533 | |
| 19 | V | A | -0.3448 | |
| 20 | E | A | -2.0292 | |
| 21 | D | A | -1.6098 | |
| 22 | C | A | -1.0736 | |
| 23 | R | A | -0.5674 | |
| 24 | V | A | 0.0000 | |
| 25 | W | A | 0.0000 | |
| 26 | A | A | 0.0000 | |
| 27 | Y | A | 0.0000 | |
| 28 | G | A | 0.0000 | |
| 29 | Y | A | 0.0000 | |
| 30 | M | A | 0.0000 | |
| 31 | N | A | 0.0000 | |
| 32 | I | A | 0.0000 | |
| 33 | E | A | -2.8812 | |
| 34 | D | A | -2.8731 | |
| 35 | H | A | -1.7996 | |
| 36 | S | A | -1.4597 | |
| 37 | E | A | -1.6922 | |
| 38 | Y | A | -0.9210 | |
| 39 | K | A | -1.0448 | |
| 40 | I | A | -0.4592 | |
| 41 | G | A | -1.1336 | |
| 42 | N | A | -1.6279 | |
| 43 | S | A | -1.6016 | |
| 44 | L | A | -1.5121 | |
| 45 | D | A | -2.6969 | |
| 46 | E | A | -2.8063 | |
| 47 | F | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | A | A | -1.2427 | |
| 50 | W | A | -0.9981 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -0.5718 | |
| 53 | K | A | -1.5693 | |
| 54 | V | A | -1.1432 | |
| 55 | Q | A | -1.5792 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | 0.0000 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | H | A | 0.0000 | |
| 62 | N | A | -0.8313 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -0.9467 | |
| 65 | F | A | -0.0294 | |
| 66 | D | A | 0.0000 | |
| 67 | G | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | F | A | 0.0000 | |
| 70 | I | A | 0.0000 | |
| 71 | I | A | 0.0000 | |
| 72 | N | A | 0.0000 | |
| 73 | W | A | -1.0216 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -1.5315 | |
| 76 | R | A | -2.3178 | |
| 77 | N | A | -2.2259 | |
| 78 | G | A | -1.9272 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -1.7673 | |
| 81 | W | A | -0.7484 | |
| 82 | S | A | -0.8235 | |
| 83 | A | A | -0.9958 | |
| 84 | D | A | -1.4351 | |
| 85 | G | A | -0.5901 | |
| 86 | L | A | 0.3255 | |
| 87 | P | A | -0.3024 | |
| 88 | N | A | -1.1554 | |
| 89 | T | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | N | A | -1.0500 | |
| 92 | T | A | -0.8930 | |
| 93 | E | A | -1.6389 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.4139 | |
| 96 | R | A | -0.4117 | |
| 97 | M | A | 0.5621 | |
| 98 | G | A | 0.0000 | |
| 99 | Q | A | -1.0490 | |
| 100 | W | A | 0.0000 | |
| 101 | Y | A | -0.4537 | |
| 102 | M | A | -0.4416 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | -0.5587 | |
| 105 | I | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | L | A | -0.3799 | |
| 108 | G | A | 0.0000 | |
| 109 | Y | A | -1.3938 | |
| 110 | K | A | -2.7957 | |
| 111 | G | A | -2.6232 | |
| 112 | K | A | -3.3228 | |
| 113 | R | A | -3.6012 | |
| 114 | K | A | -2.3382 | |
| 115 | I | A | -1.4015 | |
| 116 | H | A | -0.9736 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | Y | A | 0.0888 | |
| 121 | D | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | L | A | -0.0514 | |
| 124 | K | A | -0.2873 | |
| 125 | K | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -0.1728 | |
| 128 | F | A | -0.4324 | |
| 129 | P | A | -0.9150 | |
| 130 | V | A | 0.0000 | |
| 131 | K | A | -2.3947 | |
| 132 | K | A | -2.2700 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | K | A | -2.7817 | |
| 136 | D | A | -2.3194 | |
| 137 | F | A | 0.0000 | |
| 138 | K | A | -2.4133 | |
| 139 | L | A | -0.7972 | |
| 140 | T | A | -0.1979 | |
| 141 | V | A | -0.0082 | |
| 142 | L | A | 0.0074 | |
| 143 | K | A | -1.3273 | |
| 144 | G | A | -1.5813 | |
| 145 | D | A | -2.2539 | |
| 146 | I | A | -1.8051 | |
| 147 | D | A | -2.3113 | |
| 148 | Y | A | -0.8377 | |
| 149 | H | A | -2.0256 | |
| 150 | K | A | -2.5105 | |
| 151 | E | A | -2.5655 | |
| 152 | R | A | 0.0000 | |
| 153 | P | A | -0.3059 | |
| 154 | V | A | 0.8250 | |
| 155 | G | A | -0.1807 | |
| 156 | Y | A | -0.7709 | |
| 157 | K | A | -1.6170 | |
| 158 | I | A | -1.0476 | |
| 159 | T | A | -0.9112 | |
| 160 | P | A | -1.1072 | |
| 161 | E | A | -2.0234 | |
| 162 | E | A | 0.0000 | |
| 163 | Y | A | -0.4532 | |
| 164 | A | A | -0.7464 | |
| 165 | Y | A | 0.0000 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -0.8814 | |
| 168 | N | A | -0.3271 | |
| 169 | D | A | 0.0000 | |
| 170 | I | A | 0.0000 | |
| 171 | Q | A | -0.3313 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | E | A | -0.3482 | |
| 176 | A | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.9440 | |
| 179 | I | A | -0.4449 | |
| 180 | Q | A | 0.0000 | |
| 181 | F | A | -1.5964 | |
| 182 | K | A | -2.1564 | |
| 183 | Q | A | -1.8957 | |
| 184 | G | A | -1.7254 | |
| 185 | L | A | 0.0000 | |
| 186 | D | A | -2.2651 | |
| 187 | R | A | -1.9096 | |
| 188 | M | A | -0.6441 | |
| 189 | T | A | -0.5200 | |
| 190 | A | A | 0.0000 | |
| 191 | G | A | -0.7022 | |
| 192 | S | A | -0.8871 | |
| 193 | D | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | L | A | -0.8709 | |
| 196 | K | A | -1.8057 | |
| 197 | G | A | -1.1826 | |
| 198 | F | A | 0.0000 | |
| 199 | K | A | -2.1368 | |
| 200 | D | A | -2.1955 | |
| 201 | I | A | -1.1545 | |
| 202 | I | A | 0.0000 | |
| 203 | T | A | -1.9500 | |
| 204 | T | A | -2.5316 | |
| 205 | K | A | -3.4722 | |
| 206 | K | A | -3.0599 | |
| 207 | F | A | 0.0000 | |
| 208 | K | A | -3.4782 | |
| 209 | K | A | -3.5239 | |
| 210 | V | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | P | A | -1.6614 | |
| 213 | T | A | -1.1773 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.4873 | |
| 216 | L | A | -0.6061 | |
| 217 | G | A | -0.5861 | |
| 218 | L | A | -0.7380 | |
| 219 | D | A | 0.0000 | |
| 220 | K | A | -0.8579 | |
| 221 | E | A | -0.3254 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.0387 | |
| 224 | Y | A | 0.9277 | |
| 225 | A | A | 0.0000 | |
| 226 | Y | A | 0.5232 | |
| 227 | R | A | 0.0000 | |
| 228 | G | A | -0.2301 | |
| 229 | G | A | -0.3063 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | -0.6840 | |
| 232 | W | A | -0.7118 | |
| 233 | L | A | 0.0000 | |
| 234 | N | A | -1.7865 | |
| 235 | D | A | -3.4042 | |
| 236 | R | A | -3.2951 | |
| 237 | F | A | -2.8571 | |
| 238 | K | A | -3.4398 | |
| 239 | E | A | -3.4172 | |
| 240 | K | A | -3.8684 | |
| 241 | E | A | -3.4938 | |
| 242 | I | A | 0.0000 | |
| 243 | G | A | -2.5511 | |
| 244 | E | A | -2.7378 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | V | A | 0.0000 | |
| 248 | F | A | 0.0000 | |
| 249 | D | A | -1.1046 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -0.9597 | |
| 252 | S | A | -0.8050 | |
| 253 | L | A | 0.0000 | |
| 254 | Y | A | -0.1214 | |
| 255 | P | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | Y | A | -0.6641 | |
| 260 | S | A | -0.4582 | |
| 261 | R | A | -0.4059 | |
| 262 | L | A | 0.1517 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | Y | A | -0.5120 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -2.0344 | |
| 268 | P | A | -0.9005 | |
| 269 | I | A | -0.3213 | |
| 270 | R | A | -1.8149 | |
| 271 | F | A | -1.3034 | |
| 272 | E | A | -2.1460 | |
| 273 | G | A | -1.3748 | |
| 274 | K | A | -1.4421 | |
| 275 | Y | A | 0.1159 | |
| 276 | V | A | 1.4695 | |
| 277 | W | A | 0.9455 | |
| 278 | D | A | -1.0279 | |
| 279 | E | A | -2.5053 | |
| 280 | D | A | -2.7957 | |
| 281 | Y | A | -1.2084 | |
| 282 | P | A | -0.8168 | |
| 283 | L | A | 0.0000 | |
| 284 | H | A | -0.2114 | |
| 285 | I | A | 0.0000 | |
| 286 | Q | A | 0.0000 | |
| 287 | H | A | -0.8290 | |
| 288 | I | A | 0.0000 | |
| 289 | R | A | -1.7571 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.6291 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -2.8073 | |
| 294 | L | A | -2.3762 | |
| 295 | K | A | -2.4829 | |
| 296 | E | A | -2.4425 | |
| 297 | G | A | -1.0868 | |
| 298 | Y | A | -0.7499 | |
| 299 | I | A | 0.0000 | |
| 300 | P | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | Q | A | 0.0000 | |
| 304 | I | A | -1.8647 | |
| 305 | K | A | -2.5430 | |
| 306 | R | A | -3.2739 | |
| 307 | S | A | -2.9824 | |
| 308 | R | A | -3.5393 | |
| 309 | D | A | -3.5095 | |
| 310 | Y | A | -2.8279 | |
| 311 | K | A | -3.3512 | |
| 312 | G | A | -2.8085 | |
| 313 | N | A | -2.1964 | |
| 314 | E | A | -2.0171 | |
| 315 | Y | A | -1.1452 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -2.4483 | |
| 318 | S | A | -2.2397 | |
| 319 | S | A | 0.0000 | |
| 320 | G | A | -1.7624 | |
| 321 | G | A | -1.6427 | |
| 322 | E | A | -2.3967 | |
| 323 | I | A | -1.2294 | |
| 324 | A | A | 0.0000 | |
| 325 | D | A | -2.2228 | |
| 326 | L | A | 0.0000 | |
| 327 | W | A | 0.0344 | |
| 328 | L | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | N | A | 0.0000 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | 0.0000 | |
| 333 | L | A | 0.0000 | |
| 334 | E | A | -2.3316 | |
| 335 | L | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | K | A | -2.5572 | |
| 338 | E | A | -2.7729 | |
| 339 | H | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | D | A | -2.2621 | |
| 342 | L | A | -1.0091 | |
| 343 | Y | A | -0.3620 | |
| 344 | N | A | -0.8759 | |
| 345 | V | A | -0.2503 | |
| 346 | E | A | -1.4598 | |
| 347 | Y | A | -1.0831 | |
| 348 | I | A | -0.7115 | |
| 349 | S | A | -1.2999 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | -0.5835 | |
| 353 | F | A | 0.0000 | |
| 354 | K | A | -1.3683 | |
| 355 | A | A | -0.6391 | |
| 356 | T | A | -0.2423 | |
| 357 | T | A | -0.2389 | |
| 358 | G | A | -0.8287 | |
| 359 | L | A | -0.4935 | |
| 360 | F | A | 0.0000 | |
| 361 | K | A | -2.3377 | |
| 362 | D | A | -2.8296 | |
| 363 | F | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | D | A | -2.2540 | |
| 366 | K | A | -1.7464 | |
| 367 | W | A | 0.0000 | |
| 368 | T | A | -0.5142 | |
| 369 | Y | A | 0.5399 | |
| 370 | I | A | -0.0860 | |
| 371 | K | A | -0.7607 | |
| 372 | T | A | -0.4317 | |
| 373 | T | A | -0.1803 | |
| 374 | S | A | -0.7885 | |
| 375 | E | A | -2.1892 | |
| 376 | G | A | 0.0000 | |
| 377 | A | A | 0.0000 | |
| 378 | I | A | -0.4111 | |
| 379 | K | A | -1.0293 | |
| 380 | Q | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.1887 | |
| 384 | L | A | 0.0000 | |
| 385 | M | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | N | A | -1.4199 | |
| 388 | S | A | -0.8380 | |
| 389 | L | A | 0.0000 | |
| 390 | Y | A | -0.2545 | |
| 391 | G | A | -0.6588 | |
| 392 | K | A | -0.5670 | |
| 393 | F | A | 0.0000 | |
| 394 | A | A | -0.4466 | |
| 395 | S | A | -1.1027 | |
| 396 | N | A | -1.8472 | |
| 397 | P | A | 0.0000 | |
| 398 | D | A | -1.8824 | |
| 399 | V | A | -1.6206 | |
| 400 | T | A | 0.0000 | |
| 401 | G | A | -1.4194 | |
| 402 | K | A | -0.8143 | |
| 403 | V | A | -0.6207 | |
| 404 | P | A | 0.0000 | |
| 405 | Y | A | -0.3773 | |
| 406 | L | A | -0.9062 | |
| 407 | K | A | -1.9370 | |
| 408 | E | A | -2.7870 | |
| 409 | N | A | -2.4399 | |
| 410 | G | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | F | A | -0.3048 | |
| 415 | R | A | -1.2960 | |
| 416 | L | A | -0.3450 | |
| 417 | G | A | -1.5918 | |
| 418 | E | A | -3.0983 | |
| 419 | E | A | -3.4037 | |
| 420 | E | A | -3.3788 | |
| 421 | T | A | -2.5433 | |
| 422 | K | A | -2.4966 | |
| 423 | D | A | -2.4229 | |
| 424 | P | A | 0.0000 | |
| 425 | V | A | -0.8499 | |
| 426 | Y | A | 0.0000 | |
| 427 | T | A | 0.0000 | |
| 428 | P | A | 0.0000 | |
| 429 | M | A | 0.0000 | |
| 430 | G | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | I | A | 0.0000 | |
| 434 | T | A | 0.0000 | |
| 435 | A | A | 0.0000 | |
| 436 | W | A | 0.2728 | |
| 437 | A | A | 0.0000 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.2417 | |
| 440 | T | A | 0.1581 | |
| 441 | T | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | T | A | 0.0735 | |
| 444 | A | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | Q | A | -0.2028 | |
| 447 | A | A | 0.0822 | |
| 448 | C | A | 0.0000 | |
| 449 | Y | A | -0.4317 | |
| 450 | D | A | -1.6679 | |
| 451 | R | A | -0.9809 | |
| 452 | I | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | D | A | 0.0000 | |
| 457 | T | A | -0.4609 | |
| 458 | D | A | -0.8589 | |
| 459 | S | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | T | A | -1.2105 | |
| 464 | G | A | -1.3598 | |
| 465 | T | A | -1.4480 | |
| 466 | E | A | -2.0692 | |
| 467 | I | A | -1.2885 | |
| 468 | P | A | 0.0000 | |
| 469 | D | A | -1.8598 | |
| 470 | V | A | 0.2848 | |
| 471 | I | A | 0.0000 | |
| 472 | K | A | -2.3397 | |
| 473 | D | A | -1.9367 | |
| 474 | I | A | -0.4068 | |
| 475 | V | A | -0.8511 | |
| 476 | D | A | -1.4314 | |
| 477 | P | A | -1.7342 | |
| 478 | K | A | -2.5010 | |
| 479 | K | A | -2.0908 | |
| 480 | L | A | -0.7493 | |
| 481 | G | A | -0.3499 | |
| 482 | Y | A | -0.3662 | |
| 483 | W | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | H | A | -1.3374 | |
| 486 | E | A | -2.0731 | |
| 487 | S | A | -1.3030 | |
| 488 | T | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | K | A | -2.6049 | |
| 491 | R | A | -2.6415 | |
| 492 | A | A | 0.0000 | |
| 493 | K | A | 0.0000 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | R | A | -1.8991 | |
| 497 | Q | A | -1.5775 | |
| 498 | K | A | -1.7859 | |
| 499 | T | A | 0.0000 | |
| 500 | Y | A | 0.0000 | |
| 501 | I | A | 0.0000 | |
| 502 | Q | A | 0.0000 | |
| 503 | D | A | 0.0000 | |
| 504 | I | A | 0.0000 | |
| 505 | Y | A | 0.0000 | |
| 506 | M | A | 0.0000 | |
| 507 | K | A | -2.4026 | |
| 508 | E | A | -2.9090 | |
| 509 | V | A | -1.6106 | |
| 510 | D | A | -2.4572 | |
| 511 | G | A | -2.2818 | |
| 512 | K | A | -2.6867 | |
| 513 | L | A | -1.7745 | |
| 514 | V | A | -1.4237 | |
| 515 | E | A | -2.3039 | |
| 516 | G | A | 0.0000 | |
| 517 | S | A | -1.5290 | |
| 518 | P | A | -1.6979 | |
| 519 | D | A | -2.4224 | |
| 520 | D | A | -2.6615 | |
| 521 | Y | A | -1.2838 | |
| 522 | T | A | -1.0866 | |
| 523 | D | A | -1.4477 | |
| 524 | I | A | -0.4334 | |
| 525 | K | A | -0.8090 | |
| 526 | F | A | 0.0774 | |
| 527 | S | A | -0.2922 | |
| 528 | V | A | -0.9513 | |
| 529 | K | A | -1.6595 | |
| 530 | C | A | 0.0000 | |
| 531 | A | A | -0.7423 | |
| 532 | G | A | -0.8766 | |
| 533 | M | A | 0.0000 | |
| 534 | T | A | -2.0063 | |
| 535 | D | A | -3.4145 | |
| 536 | K | A | -3.5771 | |
| 537 | I | A | 0.0000 | |
| 538 | K | A | -3.0618 | |
| 539 | K | A | -3.4283 | |
| 540 | E | A | -2.9602 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -1.4030 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -2.3909 | |
| 545 | N | A | -1.5744 | |
| 546 | F | A | 0.0000 | |
| 547 | K | A | -1.6170 | |
| 548 | V | A | -0.0265 | |
| 549 | G | A | -0.6029 | |
| 550 | F | A | 0.0000 | |
| 551 | S | A | -0.9650 | |
| 552 | R | A | -2.1737 | |
| 553 | K | A | -2.6790 | |
| 554 | M | A | -2.2925 | |
| 555 | K | A | -2.4401 | |
| 556 | P | A | -1.5103 | |
| 557 | K | A | -1.3200 | |
| 558 | P | A | -0.3586 | |
| 559 | V | A | 0.3170 | |
| 560 | Q | A | -0.2595 | |
| 561 | V | A | 0.0000 | |
| 562 | P | A | -1.1295 | |
| 563 | G | A | -0.8454 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | 0.1426 | |
| 568 | V | A | -0.6950 | |
| 569 | D | A | -2.6596 | |
| 570 | D | A | -2.5913 | |
| 571 | T | A | -1.9735 | |
| 572 | F | A | 0.0000 | |
| 573 | T | A | -1.1134 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -1.5840 |
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 | -0.8322 | 3.6503 | View | CSV | PDB |
| 4.5 | -0.9145 | 3.4849 | View | CSV | PDB |
| 5.0 | -1.0142 | 3.2815 | View | CSV | PDB |
| 5.5 | -1.1107 | 3.0695 | View | CSV | PDB |
| 6.0 | -1.1806 | 2.8758 | View | CSV | PDB |
| 6.5 | -1.2073 | 2.7199 | View | CSV | PDB |
| 7.0 | -1.1927 | 2.6083 | View | CSV | PDB |
| 7.5 | -1.1517 | 2.5308 | View | CSV | PDB |
| 8.0 | -1.0966 | 2.4749 | View | CSV | PDB |
| 8.5 | -1.0311 | 2.4397 | View | CSV | PDB |
| 9.0 | -0.9541 | 2.4326 | 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