| Chain sequence(s) |
A: MKHMPRKKYSCDFETTTKVEDCRVWAYGYMNIEDHSEYKIGNSLDEFMAWVLKVQADLYFHNLKFDGAFIINWLERNGFKWSADGLPNTYNTIISRMGQWYMIDICLGYKGKRKIHTVIYDSLKKLPFPVKKIAKDFKLTVLKGDIDYHKERPVGYKITPEEYAYIKNDIQIIAEALLIQFKQGLDRMTAGSDSLKGFKDIITTKKFKKVFPTLSLGLDKEVRYAYRGGFTWLNDRFKEKEIGEGMVFDVNSLYPAQMYSRLLPYGEPIVFEGKYVWDEDYPLHIQHIRCEFELKEGYIPTIQIKRSRFYKGNEYLKSSGGEIADLWLSNVDLELMKEHYDLYNVEYISGLKFKATTGLFKDFIDKWTYIKTTSEGAIKQLAKLMLNSLYGKFASNPDVTGKVPYLKENGALGFRLGEEETKDPVYTPMGVFITAWARYTTITAAQACYDRIIYCDTDSIHLTGTEIPDVIKDIVDPKKLGYWAHESTFKRAKYLRQKTYIQDIYMKEVDGKLVEGSPDDYTDIKFSVKCAGMTDKIKKEVTFENFKVGFSRKMKPKPVQVPGGVVLVDDTFTIK
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] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:11)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:10:23)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/a77166916430b0/tmp/folded.pdb (00:10:23)
[INFO] Main: Simulation completed successfully. (00:13:34)
|
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 | 0.1215 | |
| 2 | K | A | -1.4145 | |
| 3 | H | A | -1.1476 | |
| 4 | M | A | -0.0595 | |
| 5 | P | A | -0.6374 | |
| 6 | R | A | -0.9725 | |
| 7 | K | A | -1.4980 | |
| 8 | K | A | -1.2741 | |
| 9 | Y | A | 0.0000 | |
| 10 | S | A | 0.0000 | |
| 11 | C | A | 0.0000 | |
| 12 | D | A | -0.5253 | |
| 13 | F | A | 0.0000 | |
| 14 | E | A | 0.0000 | |
| 15 | T | A | -0.0960 | |
| 16 | T | A | -0.8290 | |
| 17 | T | A | -0.5974 | |
| 18 | K | A | -1.3264 | |
| 19 | V | A | -0.0792 | |
| 20 | E | A | -1.8649 | |
| 21 | D | A | -1.3408 | |
| 22 | C | A | 0.0000 | |
| 23 | R | A | -0.4674 | |
| 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 | -2.9462 | |
| 34 | D | A | -2.6504 | |
| 35 | H | A | -1.7456 | |
| 36 | S | A | -1.4257 | |
| 37 | E | A | -1.7416 | |
| 38 | Y | A | -1.0391 | |
| 39 | K | A | -1.2448 | |
| 40 | I | A | -0.5077 | |
| 41 | G | A | -0.9609 | |
| 42 | N | A | -1.2110 | |
| 43 | S | A | -1.2713 | |
| 44 | L | A | -1.3757 | |
| 45 | D | A | -2.6458 | |
| 46 | E | A | -2.5973 | |
| 47 | F | A | 0.0000 | |
| 48 | M | A | 0.0000 | |
| 49 | A | A | -1.2233 | |
| 50 | W | A | -0.9729 | |
| 51 | V | A | 0.0000 | |
| 52 | L | A | -0.5634 | |
| 53 | K | A | -1.5221 | |
| 54 | V | A | -1.0015 | |
| 55 | Q | A | -1.2243 | |
| 56 | A | A | 0.0000 | |
| 57 | D | A | -0.6549 | |
| 58 | L | A | 0.0000 | |
| 59 | Y | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | H | A | -0.5178 | |
| 62 | N | A | -0.9465 | |
| 63 | L | A | 0.0000 | |
| 64 | K | A | -0.9616 | |
| 65 | F | A | -0.1709 | |
| 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 | -1.0429 | |
| 74 | L | A | 0.0000 | |
| 75 | E | A | -1.5963 | |
| 76 | R | A | -2.4300 | |
| 77 | N | A | -2.4097 | |
| 78 | G | A | -2.0105 | |
| 79 | F | A | 0.0000 | |
| 80 | K | A | -2.0969 | |
| 81 | W | A | -0.8134 | |
| 82 | S | A | 0.0000 | |
| 83 | A | A | -0.7292 | |
| 84 | D | A | -1.4286 | |
| 85 | G | A | -0.6627 | |
| 86 | L | A | 0.3159 | |
| 87 | P | A | -0.2949 | |
| 88 | N | A | -1.3284 | |
| 89 | T | A | 0.0000 | |
| 90 | Y | A | 0.0000 | |
| 91 | N | A | -0.3775 | |
| 92 | T | A | 0.0000 | |
| 93 | I | A | 1.0196 | |
| 94 | I | A | 0.0000 | |
| 95 | S | A | -0.0044 | |
| 96 | R | A | -0.5577 | |
| 97 | M | A | 0.3010 | |
| 98 | G | A | -0.1608 | |
| 99 | Q | A | -0.6138 | |
| 100 | W | A | 0.0000 | |
| 101 | Y | A | 0.3711 | |
| 102 | M | A | 0.5162 | |
| 103 | I | A | 0.0000 | |
| 104 | D | A | -0.0531 | |
| 105 | I | A | 0.0000 | |
| 106 | C | A | 0.0000 | |
| 107 | L | A | -0.0317 | |
| 108 | G | A | -0.2215 | |
| 109 | Y | A | -0.6533 | |
| 110 | K | A | -2.2788 | |
| 111 | G | A | -2.1535 | |
| 112 | K | A | -2.6463 | |
| 113 | R | A | -2.2541 | |
| 114 | K | A | -1.1589 | |
| 115 | I | A | -0.6688 | |
| 116 | H | A | -0.5435 | |
| 117 | T | A | 0.0000 | |
| 118 | V | A | 0.0000 | |
| 119 | I | A | 0.0000 | |
| 120 | Y | A | 0.3456 | |
| 121 | D | A | 0.0000 | |
| 122 | S | A | 0.0000 | |
| 123 | L | A | -0.1458 | |
| 124 | K | A | -0.4056 | |
| 125 | K | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | P | A | -0.2812 | |
| 128 | F | A | -0.5161 | |
| 129 | P | A | -0.8645 | |
| 130 | V | A | -1.1774 | |
| 131 | K | A | -2.3560 | |
| 132 | K | A | -2.5642 | |
| 133 | I | A | 0.0000 | |
| 134 | A | A | 0.0000 | |
| 135 | K | A | -3.1339 | |
| 136 | D | A | -2.6159 | |
| 137 | F | A | 0.0000 | |
| 138 | K | A | -2.6381 | |
| 139 | L | A | -1.3873 | |
| 140 | T | A | -0.5965 | |
| 141 | V | A | -0.3958 | |
| 142 | L | A | -0.7981 | |
| 143 | K | A | -1.8148 | |
| 144 | G | A | -2.3054 | |
| 145 | D | A | -2.6956 | |
| 146 | I | A | 0.0000 | |
| 147 | D | A | -2.4636 | |
| 148 | Y | A | -0.8771 | |
| 149 | H | A | -1.9694 | |
| 150 | K | A | -2.4531 | |
| 151 | E | A | -2.6895 | |
| 152 | R | A | 0.0000 | |
| 153 | P | A | -0.2876 | |
| 154 | V | A | 1.0798 | |
| 155 | G | A | -0.1660 | |
| 156 | Y | A | -0.7764 | |
| 157 | K | A | -1.6550 | |
| 158 | I | A | 0.0000 | |
| 159 | T | A | -0.9859 | |
| 160 | P | A | -1.1203 | |
| 161 | E | A | -1.9670 | |
| 162 | E | A | 0.0000 | |
| 163 | Y | A | -0.4390 | |
| 164 | A | A | -0.5168 | |
| 165 | Y | A | -0.8858 | |
| 166 | I | A | 0.0000 | |
| 167 | K | A | -0.8668 | |
| 168 | N | A | -0.2280 | |
| 169 | D | A | -0.7182 | |
| 170 | I | A | 0.0000 | |
| 171 | Q | A | -0.6934 | |
| 172 | I | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | A | A | 0.0000 | |
| 175 | E | A | -0.6898 | |
| 176 | A | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | L | A | -0.9040 | |
| 179 | I | A | -0.1100 | |
| 180 | Q | A | 0.0000 | |
| 181 | F | A | -1.4335 | |
| 182 | K | A | -2.1139 | |
| 183 | Q | A | -1.3944 | |
| 184 | G | A | -1.5480 | |
| 185 | L | A | 0.0000 | |
| 186 | D | A | -2.1671 | |
| 187 | R | A | -1.9034 | |
| 188 | M | A | -0.5737 | |
| 189 | T | A | -0.5062 | |
| 190 | A | A | 0.0000 | |
| 191 | G | A | -0.6784 | |
| 192 | S | A | -0.8909 | |
| 193 | D | A | 0.0000 | |
| 194 | S | A | 0.0000 | |
| 195 | L | A | -0.8633 | |
| 196 | K | A | -1.9049 | |
| 197 | G | A | -1.1569 | |
| 198 | F | A | 0.0000 | |
| 199 | K | A | -2.1003 | |
| 200 | D | A | -1.9931 | |
| 201 | I | A | -1.0467 | |
| 202 | I | A | -1.0433 | |
| 203 | T | A | -1.9263 | |
| 204 | T | A | -2.5656 | |
| 205 | K | A | -3.3856 | |
| 206 | K | A | -3.2569 | |
| 207 | F | A | 0.0000 | |
| 208 | K | A | -3.5499 | |
| 209 | K | A | -3.6097 | |
| 210 | V | A | 0.0000 | |
| 211 | F | A | 0.0000 | |
| 212 | P | A | -1.4707 | |
| 213 | T | A | -1.1447 | |
| 214 | L | A | 0.0000 | |
| 215 | S | A | -0.4475 | |
| 216 | L | A | -0.6776 | |
| 217 | G | A | -0.6195 | |
| 218 | L | A | -0.2003 | |
| 219 | D | A | 0.0000 | |
| 220 | K | A | -1.0457 | |
| 221 | E | A | -0.7861 | |
| 222 | V | A | 0.0000 | |
| 223 | R | A | -0.3800 | |
| 224 | Y | A | 0.2928 | |
| 225 | A | A | 0.0000 | |
| 226 | Y | A | 0.2099 | |
| 227 | R | A | -0.3882 | |
| 228 | G | A | -0.5196 | |
| 229 | G | A | -0.4408 | |
| 230 | F | A | 0.0000 | |
| 231 | T | A | -0.7163 | |
| 232 | W | A | -0.7061 | |
| 233 | L | A | 0.0000 | |
| 234 | N | A | 0.0000 | |
| 235 | D | A | -3.3254 | |
| 236 | R | A | -3.1871 | |
| 237 | F | A | -2.8863 | |
| 238 | K | A | -3.6182 | |
| 239 | E | A | -3.9678 | |
| 240 | K | A | -4.2439 | |
| 241 | E | A | -3.5081 | |
| 242 | I | A | -2.2402 | |
| 243 | G | A | -2.1195 | |
| 244 | E | A | -2.1581 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | V | A | -0.4606 | |
| 248 | F | A | 0.0000 | |
| 249 | D | A | -1.0536 | |
| 250 | V | A | 0.0000 | |
| 251 | N | A | -0.9176 | |
| 252 | S | A | -0.7669 | |
| 253 | L | A | 0.0000 | |
| 254 | Y | A | -0.0779 | |
| 255 | P | A | 0.0000 | |
| 256 | A | A | 0.0000 | |
| 257 | Q | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | Y | A | -0.5124 | |
| 260 | S | A | -0.3930 | |
| 261 | R | A | -0.3125 | |
| 262 | L | A | 0.2087 | |
| 263 | L | A | 0.0000 | |
| 264 | P | A | 0.0000 | |
| 265 | Y | A | -0.4402 | |
| 266 | G | A | 0.0000 | |
| 267 | E | A | -1.7177 | |
| 268 | P | A | -0.0740 | |
| 269 | I | A | 1.3051 | |
| 270 | V | A | 1.7482 | |
| 271 | F | A | 0.3981 | |
| 272 | E | A | -1.4402 | |
| 273 | G | A | -1.4714 | |
| 274 | K | A | -1.5150 | |
| 275 | Y | A | 0.3269 | |
| 276 | V | A | 1.5372 | |
| 277 | W | A | 1.0640 | |
| 278 | D | A | -0.8256 | |
| 279 | E | A | -2.4412 | |
| 280 | D | A | -2.7500 | |
| 281 | Y | A | -1.1645 | |
| 282 | P | A | -0.8030 | |
| 283 | L | A | 0.0000 | |
| 284 | H | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | Q | A | 0.0000 | |
| 287 | H | A | -1.0318 | |
| 288 | I | A | 0.0000 | |
| 289 | R | A | -1.5150 | |
| 290 | C | A | 0.0000 | |
| 291 | E | A | -1.3064 | |
| 292 | F | A | 0.0000 | |
| 293 | E | A | -2.7784 | |
| 294 | L | A | -2.4773 | |
| 295 | K | A | -2.7166 | |
| 296 | E | A | -2.3731 | |
| 297 | G | A | -1.2535 | |
| 298 | Y | A | -0.9515 | |
| 299 | I | A | 0.0000 | |
| 300 | P | A | 0.0000 | |
| 301 | T | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | Q | A | -1.3884 | |
| 304 | I | A | -1.9713 | |
| 305 | K | A | -3.2098 | |
| 306 | R | A | -3.2154 | |
| 307 | S | A | -2.0064 | |
| 308 | R | A | -1.8153 | |
| 309 | F | A | 0.1369 | |
| 310 | Y | A | -1.2949 | |
| 311 | K | A | -2.8594 | |
| 312 | G | A | -2.9450 | |
| 313 | N | A | -2.7376 | |
| 314 | E | A | -2.3341 | |
| 315 | Y | A | -1.2030 | |
| 316 | L | A | 0.0000 | |
| 317 | K | A | -2.3235 | |
| 318 | S | A | -2.0956 | |
| 319 | S | A | 0.0000 | |
| 320 | G | A | -1.1379 | |
| 321 | G | A | -1.1661 | |
| 322 | E | A | -0.7925 | |
| 323 | I | A | -0.3890 | |
| 324 | A | A | 0.0000 | |
| 325 | D | A | -2.0509 | |
| 326 | L | A | 0.0000 | |
| 327 | W | A | 0.0000 | |
| 328 | L | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | N | A | -0.5899 | |
| 331 | V | A | 0.0000 | |
| 332 | D | A | -0.9374 | |
| 333 | L | A | 0.0000 | |
| 334 | E | A | -2.3438 | |
| 335 | L | A | 0.0000 | |
| 336 | M | A | 0.0000 | |
| 337 | K | A | -2.8955 | |
| 338 | E | A | -2.9945 | |
| 339 | H | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | D | A | -2.2953 | |
| 342 | L | A | -1.1560 | |
| 343 | Y | A | -0.4737 | |
| 344 | N | A | -0.9761 | |
| 345 | V | A | -0.3134 | |
| 346 | E | A | -1.6268 | |
| 347 | Y | A | -1.1248 | |
| 348 | I | A | -0.9002 | |
| 349 | S | A | -0.7455 | |
| 350 | G | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | K | A | 0.2995 | |
| 353 | F | A | 0.0000 | |
| 354 | K | A | -1.4147 | |
| 355 | A | A | -0.6152 | |
| 356 | T | A | -0.0279 | |
| 357 | T | A | -0.2309 | |
| 358 | G | A | -0.7734 | |
| 359 | L | A | -0.3877 | |
| 360 | F | A | 0.0000 | |
| 361 | K | A | -2.2453 | |
| 362 | D | A | -2.4911 | |
| 363 | F | A | 0.0000 | |
| 364 | I | A | 0.0000 | |
| 365 | D | A | -2.0158 | |
| 366 | K | A | -1.6761 | |
| 367 | W | A | 0.0000 | |
| 368 | T | A | -0.5347 | |
| 369 | Y | A | 0.4952 | |
| 370 | I | A | -0.1572 | |
| 371 | K | A | -0.9499 | |
| 372 | T | A | -0.2615 | |
| 373 | T | A | -0.2017 | |
| 374 | S | A | -0.8519 | |
| 375 | E | A | -2.2528 | |
| 376 | G | A | -1.8711 | |
| 377 | A | A | 0.0000 | |
| 378 | I | A | -0.2369 | |
| 379 | K | A | -1.2488 | |
| 380 | Q | A | -0.9656 | |
| 381 | L | A | 0.0000 | |
| 382 | A | A | 0.0000 | |
| 383 | K | A | -1.3260 | |
| 384 | L | A | 0.0000 | |
| 385 | M | A | 0.0000 | |
| 386 | L | A | 0.0000 | |
| 387 | N | A | -1.4207 | |
| 388 | S | A | -0.8038 | |
| 389 | L | A | 0.0000 | |
| 390 | Y | A | -0.2120 | |
| 391 | G | A | -0.6350 | |
| 392 | K | A | -0.5219 | |
| 393 | F | A | 0.0000 | |
| 394 | A | A | 0.0000 | |
| 395 | S | A | -1.2069 | |
| 396 | N | A | -2.0733 | |
| 397 | P | A | 0.0000 | |
| 398 | D | A | -2.3339 | |
| 399 | V | A | -1.6012 | |
| 400 | T | A | -1.9778 | |
| 401 | G | A | -1.0092 | |
| 402 | K | A | -0.4888 | |
| 403 | V | A | -0.2540 | |
| 404 | P | A | 0.0000 | |
| 405 | Y | A | -0.1649 | |
| 406 | L | A | -0.7029 | |
| 407 | K | A | -1.6002 | |
| 408 | E | A | -2.6302 | |
| 409 | N | A | -2.3403 | |
| 410 | G | A | -1.6608 | |
| 411 | A | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | G | A | 0.0000 | |
| 414 | F | A | -0.2348 | |
| 415 | R | A | -1.2593 | |
| 416 | L | A | -0.6491 | |
| 417 | G | A | -1.6731 | |
| 418 | E | A | -3.0575 | |
| 419 | E | A | -3.3500 | |
| 420 | E | A | -3.2800 | |
| 421 | T | A | -2.7984 | |
| 422 | K | A | -3.0573 | |
| 423 | D | A | -2.7800 | |
| 424 | P | A | 0.0000 | |
| 425 | V | A | -0.8033 | |
| 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 | 0.2313 | |
| 437 | A | A | 0.0000 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | 0.1867 | |
| 440 | T | A | 0.1356 | |
| 441 | T | A | 0.0000 | |
| 442 | I | A | 0.0000 | |
| 443 | T | A | 0.0378 | |
| 444 | A | A | 0.0000 | |
| 445 | A | A | 0.0000 | |
| 446 | Q | A | -0.3212 | |
| 447 | A | A | 0.0087 | |
| 448 | C | A | 0.0000 | |
| 449 | Y | A | -0.7145 | |
| 450 | D | A | -1.8187 | |
| 451 | R | A | -1.0718 | |
| 452 | I | A | 0.0000 | |
| 453 | I | A | 0.0000 | |
| 454 | Y | A | 0.0000 | |
| 455 | C | A | 0.0000 | |
| 456 | D | A | -0.6066 | |
| 457 | T | A | -0.5164 | |
| 458 | D | A | -0.8082 | |
| 459 | S | A | 0.0000 | |
| 460 | I | A | 0.0000 | |
| 461 | H | A | 0.0000 | |
| 462 | L | A | 0.0000 | |
| 463 | T | A | -1.1101 | |
| 464 | G | A | -1.2946 | |
| 465 | T | A | -1.3357 | |
| 466 | E | A | -2.0848 | |
| 467 | I | A | -1.1182 | |
| 468 | P | A | 0.0000 | |
| 469 | D | A | -1.8657 | |
| 470 | V | A | 0.3253 | |
| 471 | I | A | 0.0000 | |
| 472 | K | A | -2.4096 | |
| 473 | D | A | -2.0490 | |
| 474 | I | A | -0.4089 | |
| 475 | V | A | -0.9482 | |
| 476 | D | A | -1.3215 | |
| 477 | P | A | -1.6993 | |
| 478 | K | A | -2.3906 | |
| 479 | K | A | -1.9144 | |
| 480 | L | A | -0.5576 | |
| 481 | G | A | -0.2293 | |
| 482 | Y | A | -0.3266 | |
| 483 | W | A | 0.0000 | |
| 484 | A | A | 0.0000 | |
| 485 | H | A | -1.2565 | |
| 486 | E | A | -1.9703 | |
| 487 | S | A | -1.2798 | |
| 488 | T | A | 0.0000 | |
| 489 | F | A | 0.0000 | |
| 490 | K | A | -1.9491 | |
| 491 | R | A | -2.0202 | |
| 492 | A | A | 0.0000 | |
| 493 | K | A | -2.2563 | |
| 494 | Y | A | 0.0000 | |
| 495 | L | A | 0.0000 | |
| 496 | R | A | -1.6494 | |
| 497 | Q | A | -1.3926 | |
| 498 | K | A | -1.3598 | |
| 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 | -1.9418 | |
| 508 | E | A | -2.5194 | |
| 509 | V | A | -0.8581 | |
| 510 | D | A | -2.0237 | |
| 511 | G | A | -1.9867 | |
| 512 | K | A | -2.1579 | |
| 513 | L | A | -1.3498 | |
| 514 | V | A | -1.2053 | |
| 515 | E | A | -2.2937 | |
| 516 | G | A | -1.8438 | |
| 517 | S | A | -1.6956 | |
| 518 | P | A | -1.6591 | |
| 519 | D | A | -2.5162 | |
| 520 | D | A | -2.9780 | |
| 521 | Y | A | -1.5028 | |
| 522 | T | A | -1.2382 | |
| 523 | D | A | -1.6719 | |
| 524 | I | A | -0.6482 | |
| 525 | K | A | -0.9959 | |
| 526 | F | A | 0.0751 | |
| 527 | S | A | -0.2600 | |
| 528 | V | A | -0.9300 | |
| 529 | K | A | -1.2125 | |
| 530 | C | A | -1.0868 | |
| 531 | A | A | -0.6248 | |
| 532 | G | A | -0.8663 | |
| 533 | M | A | 0.0000 | |
| 534 | T | A | -1.9778 | |
| 535 | D | A | -3.4160 | |
| 536 | K | A | -3.5590 | |
| 537 | I | A | 0.0000 | |
| 538 | K | A | -3.0268 | |
| 539 | K | A | -3.3231 | |
| 540 | E | A | -2.6686 | |
| 541 | V | A | 0.0000 | |
| 542 | T | A | -1.2773 | |
| 543 | F | A | 0.0000 | |
| 544 | E | A | -2.3523 | |
| 545 | N | A | -1.5126 | |
| 546 | F | A | 0.0000 | |
| 547 | K | A | -1.7863 | |
| 548 | V | A | -0.2967 | |
| 549 | G | A | -0.6488 | |
| 550 | F | A | 0.0000 | |
| 551 | S | A | -0.9421 | |
| 552 | R | A | -2.1382 | |
| 553 | K | A | -2.7863 | |
| 554 | M | A | -2.4142 | |
| 555 | K | A | -2.5128 | |
| 556 | P | A | -1.3592 | |
| 557 | K | A | -1.2967 | |
| 558 | P | A | -0.2962 | |
| 559 | V | A | 0.5764 | |
| 560 | Q | A | 0.0013 | |
| 561 | V | A | 0.0000 | |
| 562 | P | A | -1.0737 | |
| 563 | G | A | -0.6864 | |
| 564 | G | A | 0.0000 | |
| 565 | V | A | 0.0000 | |
| 566 | V | A | 0.0000 | |
| 567 | L | A | 0.3508 | |
| 568 | V | A | -0.3469 | |
| 569 | D | A | -2.4987 | |
| 570 | D | A | -2.7847 | |
| 571 | T | A | -2.0327 | |
| 572 | F | A | -1.4506 | |
| 573 | T | A | -1.0635 | |
| 574 | I | A | 0.0000 | |
| 575 | K | A | -1.5989 |
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 | -0.7981 | 3.6976 | View | CSV | PDB |
| 4.5 | -0.8765 | 3.5616 | View | CSV | PDB |
| 5.0 | -0.9712 | 3.3872 | View | CSV | PDB |
| 5.5 | -1.0616 | 3.1959 | View | CSV | PDB |
| 6.0 | -1.1241 | 3.0131 | View | CSV | PDB |
| 6.5 | -1.1428 | 2.8613 | View | CSV | PDB |
| 7.0 | -1.1203 | 2.7536 | View | CSV | PDB |
| 7.5 | -1.0711 | 2.6863 | View | CSV | PDB |
| 8.0 | -1.0077 | 2.647 | View | CSV | PDB |
| 8.5 | -0.9342 | 2.6311 | View | CSV | PDB |
| 9.0 | -0.8501 | 2.6408 | 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