| Chain sequence(s) |
A: MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGLGGGGSGFLGGGGGSMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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] (00:00:02)
[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 A 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. (00:00:06)
[INFO] FoldX: Starting FoldX energy minimization (00:00:06)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:31:37)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f0415a7f93957cb/tmp/folded.pdb (00:31:37)
[INFO] Main: Simulation completed successfully. (00:42:38)
|
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 | 0.9726 | |
| 2 | K | A | -0.3111 | |
| 3 | W | A | 1.1554 | |
| 4 | V | A | 2.1218 | |
| 5 | T | A | 1.0908 | |
| 6 | F | A | 1.4116 | |
| 7 | I | A | 1.6898 | |
| 8 | S | A | 1.9775 | |
| 9 | L | A | 2.4951 | |
| 10 | L | A | 2.4663 | |
| 11 | F | A | 2.7225 | |
| 12 | L | A | 3.1088 | |
| 13 | F | A | 2.3899 | |
| 14 | S | A | 1.6519 | |
| 15 | S | A | 0.9311 | |
| 16 | A | A | 0.8522 | |
| 17 | Y | A | 0.8877 | |
| 18 | S | A | -0.3951 | |
| 19 | R | A | -1.8435 | |
| 20 | G | A | -1.1003 | |
| 21 | V | A | 0.0458 | |
| 22 | F | A | -1.1227 | |
| 23 | R | A | -3.0255 | |
| 24 | R | A | -3.7218 | |
| 25 | D | A | -3.6219 | |
| 26 | A | A | -2.6556 | |
| 27 | H | A | -3.1563 | |
| 28 | K | A | -3.2621 | |
| 29 | S | A | 0.0000 | |
| 30 | E | A | -1.8054 | |
| 31 | V | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | H | A | -1.8409 | |
| 34 | R | A | 0.0000 | |
| 35 | F | A | 0.0000 | |
| 36 | K | A | -2.8787 | |
| 37 | D | A | -2.8702 | |
| 38 | L | A | -2.1841 | |
| 39 | G | A | -2.5458 | |
| 40 | E | A | -3.2440 | |
| 41 | E | A | -2.9225 | |
| 42 | N | A | -2.1914 | |
| 43 | F | A | 0.0000 | |
| 44 | K | A | -1.8929 | |
| 45 | A | A | -1.1765 | |
| 46 | L | A | 0.0000 | |
| 47 | V | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | A | A | 0.0000 | |
| 51 | F | A | 0.0000 | |
| 52 | A | A | 0.0000 | |
| 53 | Q | A | 0.0000 | |
| 54 | Y | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | Q | A | -0.8648 | |
| 58 | C | A | 0.0000 | |
| 59 | P | A | -1.1713 | |
| 60 | F | A | -1.6203 | |
| 61 | E | A | -2.6744 | |
| 62 | D | A | -2.3555 | |
| 63 | H | A | 0.0000 | |
| 64 | V | A | -2.0290 | |
| 65 | K | A | -3.0047 | |
| 66 | L | A | -1.9989 | |
| 67 | V | A | 0.0000 | |
| 68 | N | A | -2.7574 | |
| 69 | E | A | -3.1458 | |
| 70 | V | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | E | A | -2.9049 | |
| 73 | F | A | -1.7601 | |
| 74 | A | A | 0.0000 | |
| 75 | K | A | -2.3022 | |
| 76 | T | A | -1.6081 | |
| 77 | C | A | 0.0000 | |
| 78 | V | A | -1.1391 | |
| 79 | A | A | -0.9625 | |
| 80 | D | A | -2.2289 | |
| 81 | E | A | -3.1767 | |
| 82 | S | A | -2.3004 | |
| 83 | A | A | -2.0861 | |
| 84 | E | A | -2.8392 | |
| 85 | N | A | -2.3567 | |
| 86 | C | A | 0.0000 | |
| 87 | D | A | -3.5496 | |
| 88 | K | A | -2.2403 | |
| 89 | S | A | -1.1152 | |
| 90 | L | A | 0.0000 | |
| 91 | H | A | -0.6643 | |
| 92 | T | A | -0.8918 | |
| 93 | L | A | 0.0000 | |
| 94 | F | A | -0.3229 | |
| 95 | G | A | 0.0000 | |
| 96 | D | A | -0.8096 | |
| 97 | K | A | -0.8328 | |
| 98 | L | A | 0.0000 | |
| 99 | C | A | -0.4385 | |
| 100 | T | A | -0.1174 | |
| 101 | V | A | -0.2966 | |
| 102 | A | A | -0.4502 | |
| 103 | T | A | -1.1293 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -3.4016 | |
| 106 | E | A | -2.9597 | |
| 107 | T | A | -1.7872 | |
| 108 | Y | A | -1.8513 | |
| 109 | G | A | -2.5706 | |
| 110 | E | A | -3.0645 | |
| 111 | M | A | 0.0000 | |
| 112 | A | A | -2.3469 | |
| 113 | D | A | -2.7443 | |
| 114 | C | A | 0.0000 | |
| 115 | C | A | -1.3637 | |
| 116 | A | A | -1.3160 | |
| 117 | K | A | -2.6389 | |
| 118 | Q | A | -2.3863 | |
| 119 | E | A | -2.2270 | |
| 120 | P | A | -2.2482 | |
| 121 | E | A | -3.2481 | |
| 122 | R | A | 0.0000 | |
| 123 | N | A | 0.0000 | |
| 124 | E | A | -2.9811 | |
| 125 | C | A | -2.4579 | |
| 126 | F | A | 0.0000 | |
| 127 | L | A | -1.4041 | |
| 128 | Q | A | -1.7476 | |
| 129 | H | A | -1.4074 | |
| 130 | K | A | 0.0000 | |
| 131 | D | A | -1.6569 | |
| 132 | D | A | -1.4826 | |
| 133 | N | A | -1.8708 | |
| 134 | P | A | -1.5613 | |
| 135 | N | A | -2.0146 | |
| 136 | L | A | -1.2099 | |
| 137 | P | A | -0.8425 | |
| 138 | R | A | -1.3340 | |
| 139 | L | A | 0.4720 | |
| 140 | V | A | 0.5886 | |
| 141 | R | A | -1.1666 | |
| 142 | P | A | -1.1696 | |
| 143 | E | A | -2.0914 | |
| 144 | V | A | 0.0000 | |
| 145 | D | A | -1.6326 | |
| 146 | V | A | 0.0545 | |
| 147 | M | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | T | A | -0.9354 | |
| 150 | A | A | -0.9658 | |
| 151 | F | A | 0.0000 | |
| 152 | H | A | -2.4131 | |
| 153 | D | A | -2.9420 | |
| 154 | N | A | -2.6360 | |
| 155 | E | A | -2.5754 | |
| 156 | E | A | -2.7942 | |
| 157 | T | A | -1.6347 | |
| 158 | F | A | -1.4384 | |
| 159 | L | A | -1.2849 | |
| 160 | K | A | -1.2378 | |
| 161 | K | A | -1.2601 | |
| 162 | Y | A | -0.2765 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | E | A | -0.2215 | |
| 166 | I | A | -0.2904 | |
| 167 | A | A | 0.0000 | |
| 168 | R | A | -0.6135 | |
| 169 | R | A | -1.1035 | |
| 170 | H | A | -0.7560 | |
| 171 | P | A | 0.0000 | |
| 172 | Y | A | -0.2149 | |
| 173 | F | A | 0.0000 | |
| 174 | Y | A | -0.0226 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | E | A | 0.0000 | |
| 178 | L | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | F | A | 0.0000 | |
| 181 | F | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | K | A | -1.8775 | |
| 184 | R | A | -1.4479 | |
| 185 | Y | A | -1.0299 | |
| 186 | K | A | -1.5938 | |
| 187 | A | A | -1.3160 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | T | A | -1.5128 | |
| 191 | E | A | -2.2917 | |
| 192 | C | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | Q | A | -2.0684 | |
| 195 | A | A | -1.7033 | |
| 196 | A | A | -1.2137 | |
| 197 | D | A | -2.1708 | |
| 198 | K | A | -2.1077 | |
| 199 | A | A | -1.1976 | |
| 200 | A | A | -0.5808 | |
| 201 | C | A | -0.9163 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | -0.5122 | |
| 204 | P | A | -1.1762 | |
| 205 | K | A | -1.6736 | |
| 206 | L | A | -2.1477 | |
| 207 | D | A | -3.2376 | |
| 208 | E | A | -4.0300 | |
| 209 | L | A | 0.0000 | |
| 210 | R | A | -4.2921 | |
| 211 | D | A | -4.4619 | |
| 212 | E | A | -3.3408 | |
| 213 | G | A | -2.8457 | |
| 214 | K | A | -3.2499 | |
| 215 | A | A | -1.9585 | |
| 216 | S | A | -1.4613 | |
| 217 | S | A | -0.9680 | |
| 218 | A | A | -1.0673 | |
| 219 | K | A | -1.1847 | |
| 220 | Q | A | 0.0000 | |
| 221 | R | A | -0.6918 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | -0.8956 | |
| 224 | C | A | 0.0000 | |
| 225 | A | A | -0.9865 | |
| 226 | S | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | Q | A | -2.1682 | |
| 229 | K | A | -2.0232 | |
| 230 | F | A | -1.5210 | |
| 231 | G | A | -2.1098 | |
| 232 | E | A | -3.1017 | |
| 233 | R | A | -3.0652 | |
| 234 | A | A | -1.6442 | |
| 235 | F | A | 0.0000 | |
| 236 | K | A | -1.9627 | |
| 237 | A | A | -1.3517 | |
| 238 | W | A | -0.7318 | |
| 239 | A | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | R | A | -0.8824 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | R | A | -2.0615 | |
| 247 | F | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | K | A | -2.1352 | |
| 250 | A | A | 0.0000 | |
| 251 | E | A | -2.1465 | |
| 252 | F | A | -0.9416 | |
| 253 | A | A | -0.6277 | |
| 254 | E | A | -0.9461 | |
| 255 | V | A | 0.0000 | |
| 256 | S | A | -0.5505 | |
| 257 | K | A | -0.2301 | |
| 258 | L | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | T | A | -0.5762 | |
| 261 | D | A | 0.0000 | |
| 262 | L | A | -0.2101 | |
| 263 | T | A | 0.0000 | |
| 264 | K | A | -1.1911 | |
| 265 | V | A | 0.0000 | |
| 266 | H | A | 0.0000 | |
| 267 | T | A | -0.9766 | |
| 268 | E | A | -0.7687 | |
| 269 | C | A | 0.0000 | |
| 270 | C | A | -0.5425 | |
| 271 | H | A | -0.9357 | |
| 272 | G | A | 0.0000 | |
| 273 | D | A | -0.5476 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | E | A | -0.6368 | |
| 277 | C | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | D | A | -0.9374 | |
| 280 | D | A | -0.9054 | |
| 281 | R | A | 0.0000 | |
| 282 | A | A | -0.9560 | |
| 283 | D | A | -1.4556 | |
| 284 | L | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | K | A | -2.1870 | |
| 287 | Y | A | -1.4611 | |
| 288 | I | A | 0.0000 | |
| 289 | C | A | -2.2466 | |
| 290 | E | A | -2.5556 | |
| 291 | N | A | -1.9503 | |
| 292 | Q | A | -2.2625 | |
| 293 | D | A | -2.7631 | |
| 294 | S | A | -2.0004 | |
| 295 | I | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | -2.1763 | |
| 298 | K | A | -2.7101 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -3.4378 | |
| 301 | E | A | -3.4640 | |
| 302 | C | A | 0.0000 | |
| 303 | C | A | -2.7320 | |
| 304 | E | A | -3.1932 | |
| 305 | K | A | -2.4493 | |
| 306 | P | A | -0.8502 | |
| 307 | L | A | -0.1045 | |
| 308 | L | A | -0.1548 | |
| 309 | E | A | -1.0256 | |
| 310 | K | A | 0.0000 | |
| 311 | S | A | 0.0000 | |
| 312 | H | A | -0.7275 | |
| 313 | C | A | -1.2150 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | -1.1805 | |
| 316 | E | A | -2.4300 | |
| 317 | V | A | 0.0000 | |
| 318 | E | A | -3.2732 | |
| 319 | N | A | -3.1030 | |
| 320 | D | A | 0.0000 | |
| 321 | E | A | -2.5605 | |
| 322 | M | A | -1.2925 | |
| 323 | P | A | -0.9953 | |
| 324 | A | A | -1.0489 | |
| 325 | D | A | -1.6707 | |
| 326 | L | A | -0.7228 | |
| 327 | P | A | -0.8613 | |
| 328 | S | A | -0.7181 | |
| 329 | L | A | -0.6974 | |
| 330 | A | A | -0.9742 | |
| 331 | A | A | -1.7026 | |
| 332 | D | A | -2.6339 | |
| 333 | F | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | E | A | -3.0976 | |
| 336 | S | A | -2.8507 | |
| 337 | K | A | -3.6786 | |
| 338 | D | A | -3.5490 | |
| 339 | V | A | 0.0000 | |
| 340 | C | A | -2.0950 | |
| 341 | K | A | -3.0848 | |
| 342 | N | A | -2.3028 | |
| 343 | Y | A | 0.0000 | |
| 344 | A | A | -2.2264 | |
| 345 | E | A | -2.5077 | |
| 346 | A | A | -1.8383 | |
| 347 | K | A | -2.6287 | |
| 348 | D | A | -2.6372 | |
| 349 | V | A | -1.1486 | |
| 350 | F | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | G | A | -0.7157 | |
| 353 | M | A | -0.2565 | |
| 354 | F | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -0.5023 | |
| 358 | Y | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | R | A | -0.5624 | |
| 362 | H | A | -0.5443 | |
| 363 | P | A | -1.2686 | |
| 364 | D | A | -1.5212 | |
| 365 | Y | A | -0.6510 | |
| 366 | S | A | 0.0000 | |
| 367 | V | A | 0.0000 | |
| 368 | V | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | L | A | 0.0000 | |
| 371 | L | A | 0.0000 | |
| 372 | R | A | 0.0000 | |
| 373 | L | A | 0.0000 | |
| 374 | A | A | -0.6542 | |
| 375 | K | A | -1.2784 | |
| 376 | T | A | -1.0141 | |
| 377 | Y | A | 0.0000 | |
| 378 | E | A | -1.6070 | |
| 379 | T | A | -1.3630 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -2.2184 | |
| 383 | K | A | -2.2347 | |
| 384 | C | A | 0.0000 | |
| 385 | C | A | -1.1201 | |
| 386 | A | A | -0.8303 | |
| 387 | A | A | -1.1528 | |
| 388 | A | A | -0.9584 | |
| 389 | D | A | -2.2607 | |
| 390 | P | A | -2.1075 | |
| 391 | H | A | -2.6816 | |
| 392 | E | A | -2.9309 | |
| 393 | C | A | -1.5471 | |
| 394 | Y | A | 0.0000 | |
| 395 | A | A | -1.8919 | |
| 396 | K | A | -2.7135 | |
| 397 | V | A | 0.0000 | |
| 398 | F | A | -1.7782 | |
| 399 | D | A | -3.4486 | |
| 400 | E | A | -3.3477 | |
| 401 | F | A | 0.0000 | |
| 402 | K | A | -3.0450 | |
| 403 | P | A | -2.2408 | |
| 404 | L | A | -1.4533 | |
| 405 | V | A | 0.0000 | |
| 406 | E | A | -2.3228 | |
| 407 | E | A | -2.1082 | |
| 408 | P | A | 0.0000 | |
| 409 | Q | A | -2.6802 | |
| 410 | N | A | -2.7088 | |
| 411 | L | A | -1.7534 | |
| 412 | I | A | 0.0000 | |
| 413 | K | A | -3.3487 | |
| 414 | Q | A | -2.8166 | |
| 415 | N | A | -2.1249 | |
| 416 | C | A | 0.0000 | |
| 417 | E | A | -3.3958 | |
| 418 | L | A | -2.3275 | |
| 419 | F | A | 0.0000 | |
| 420 | E | A | -3.2320 | |
| 421 | Q | A | -2.6482 | |
| 422 | L | A | -1.7725 | |
| 423 | G | A | -1.6655 | |
| 424 | E | A | -1.7979 | |
| 425 | Y | A | -1.1502 | |
| 426 | K | A | -1.9358 | |
| 427 | F | A | 0.0000 | |
| 428 | Q | A | 0.0000 | |
| 429 | N | A | -1.1612 | |
| 430 | A | A | -1.0296 | |
| 431 | L | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | R | A | -0.9072 | |
| 435 | Y | A | -0.4655 | |
| 436 | T | A | 0.0000 | |
| 437 | K | A | -1.1300 | |
| 438 | K | A | -0.9726 | |
| 439 | V | A | 0.0000 | |
| 440 | P | A | 0.0000 | |
| 441 | Q | A | -0.2968 | |
| 442 | V | A | 0.0000 | |
| 443 | S | A | -0.3672 | |
| 444 | T | A | 0.0000 | |
| 445 | P | A | -0.5913 | |
| 446 | T | A | -0.7151 | |
| 447 | L | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | -1.5621 | |
| 450 | V | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | R | A | -0.9664 | |
| 453 | N | A | -0.9052 | |
| 454 | L | A | 0.0000 | |
| 455 | G | A | 0.0000 | |
| 456 | K | A | -1.3495 | |
| 457 | V | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | S | A | -1.8491 | |
| 460 | K | A | -2.0788 | |
| 461 | C | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | K | A | -2.8782 | |
| 464 | H | A | -2.3505 | |
| 465 | P | A | -2.1047 | |
| 466 | E | A | -3.1697 | |
| 467 | A | A | -2.0301 | |
| 468 | K | A | -2.5746 | |
| 469 | R | A | -2.5399 | |
| 470 | M | A | 0.0000 | |
| 471 | P | A | -0.8075 | |
| 472 | C | A | -0.6891 | |
| 473 | A | A | 0.0000 | |
| 474 | E | A | 0.0000 | |
| 475 | D | A | -0.1462 | |
| 476 | Y | A | -0.1649 | |
| 477 | L | A | 0.0678 | |
| 478 | S | A | -0.1140 | |
| 479 | V | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | N | A | 0.0000 | |
| 483 | Q | A | -0.7516 | |
| 484 | L | A | 0.0000 | |
| 485 | C | A | 0.0000 | |
| 486 | V | A | -0.9360 | |
| 487 | L | A | -0.9830 | |
| 488 | H | A | 0.0000 | |
| 489 | E | A | -2.1836 | |
| 490 | K | A | -2.1101 | |
| 491 | T | A | -0.8481 | |
| 492 | P | A | -0.7597 | |
| 493 | V | A | -0.0166 | |
| 494 | S | A | 0.0000 | |
| 495 | D | A | -2.1804 | |
| 496 | R | A | -1.5526 | |
| 497 | V | A | 0.0000 | |
| 498 | T | A | -1.9161 | |
| 499 | K | A | -2.4546 | |
| 500 | C | A | 0.0000 | |
| 501 | C | A | 0.0000 | |
| 502 | T | A | -1.7545 | |
| 503 | E | A | -2.2274 | |
| 504 | S | A | -1.2857 | |
| 505 | L | A | -0.4634 | |
| 506 | V | A | -0.4219 | |
| 507 | N | A | -0.8876 | |
| 508 | R | A | 0.0000 | |
| 509 | R | A | 0.0000 | |
| 510 | P | A | -0.2428 | |
| 511 | C | A | -0.3909 | |
| 512 | F | A | 0.0000 | |
| 513 | S | A | -0.2569 | |
| 514 | A | A | -0.2953 | |
| 515 | L | A | -0.6045 | |
| 516 | E | A | -1.8326 | |
| 517 | V | A | -1.1472 | |
| 518 | D | A | 0.0000 | |
| 519 | E | A | -1.8712 | |
| 520 | T | A | -0.3555 | |
| 521 | Y | A | 0.2200 | |
| 522 | V | A | 0.9184 | |
| 523 | P | A | -0.4569 | |
| 524 | K | A | -1.7890 | |
| 525 | E | A | -2.1310 | |
| 526 | F | A | -1.2865 | |
| 527 | N | A | -1.5503 | |
| 528 | A | A | -1.3339 | |
| 529 | E | A | -1.8959 | |
| 530 | T | A | -0.9139 | |
| 531 | F | A | -0.6128 | |
| 532 | T | A | -1.1218 | |
| 533 | F | A | 0.0000 | |
| 534 | H | A | -1.9670 | |
| 535 | A | A | -2.0324 | |
| 536 | D | A | -2.2741 | |
| 537 | I | A | 0.0000 | |
| 538 | C | A | -1.3868 | |
| 539 | T | A | -0.7171 | |
| 540 | L | A | -1.1563 | |
| 541 | S | A | -1.5281 | |
| 542 | E | A | -2.8947 | |
| 543 | K | A | -2.8732 | |
| 544 | E | A | -1.9185 | |
| 545 | R | A | -2.0892 | |
| 546 | Q | A | -1.6052 | |
| 547 | I | A | -0.9548 | |
| 548 | K | A | -1.2644 | |
| 549 | K | A | -0.7847 | |
| 550 | Q | A | 0.0000 | |
| 551 | T | A | -0.4266 | |
| 552 | A | A | 0.0000 | |
| 553 | L | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | E | A | 0.0000 | |
| 556 | L | A | 0.0000 | |
| 557 | V | A | 0.0000 | |
| 558 | K | A | 0.0000 | |
| 559 | H | A | -1.1270 | |
| 560 | K | A | -1.2409 | |
| 561 | P | A | -1.1770 | |
| 562 | K | A | -2.2515 | |
| 563 | A | A | 0.0000 | |
| 564 | T | A | -2.1748 | |
| 565 | K | A | -3.1074 | |
| 566 | E | A | -3.2933 | |
| 567 | Q | A | -2.6297 | |
| 568 | L | A | 0.0000 | |
| 569 | K | A | -3.5639 | |
| 570 | A | A | -2.6370 | |
| 571 | V | A | 0.0000 | |
| 572 | M | A | -2.1588 | |
| 573 | D | A | -3.0435 | |
| 574 | D | A | -2.9550 | |
| 575 | F | A | 0.0000 | |
| 576 | A | A | -1.8081 | |
| 577 | A | A | -1.9946 | |
| 578 | F | A | 0.0000 | |
| 579 | V | A | 0.0000 | |
| 580 | E | A | -2.9962 | |
| 581 | K | A | -2.8884 | |
| 582 | C | A | 0.0000 | |
| 583 | C | A | -2.7946 | |
| 584 | K | A | -3.2788 | |
| 585 | A | A | -3.1174 | |
| 586 | D | A | -3.2639 | |
| 587 | D | A | -3.3390 | |
| 588 | K | A | -3.3828 | |
| 589 | E | A | -2.8997 | |
| 590 | T | A | -2.1503 | |
| 591 | C | A | -2.6515 | |
| 592 | F | A | 0.0000 | |
| 593 | A | A | -2.2146 | |
| 594 | E | A | -3.1246 | |
| 595 | E | A | -2.6695 | |
| 596 | G | A | -2.2001 | |
| 597 | K | A | -3.0772 | |
| 598 | K | A | -2.9822 | |
| 599 | L | A | -1.8028 | |
| 600 | V | A | -0.8384 | |
| 601 | A | A | -0.8008 | |
| 602 | A | A | -0.6882 | |
| 603 | S | A | -0.5926 | |
| 604 | Q | A | -0.1681 | |
| 605 | A | A | -0.0124 | |
| 606 | A | A | -0.0955 | |
| 607 | L | A | 0.0000 | |
| 608 | G | A | -0.3525 | |
| 609 | L | A | 0.2873 | |
| 610 | G | A | -0.5502 | |
| 611 | G | A | -0.8722 | |
| 612 | G | A | -0.9807 | |
| 613 | G | A | -0.8574 | |
| 614 | S | A | -0.2034 | |
| 615 | G | A | 0.4680 | |
| 616 | F | A | 2.1912 | |
| 617 | L | A | 2.0115 | |
| 618 | G | A | 0.4046 | |
| 619 | G | A | -0.5004 | |
| 620 | G | A | -0.9005 | |
| 621 | G | A | -1.2751 | |
| 622 | G | A | -1.2241 | |
| 623 | S | A | -0.9098 | |
| 624 | M | A | -0.6934 | |
| 625 | I | A | 0.0000 | |
| 626 | E | A | -2.2568 | |
| 627 | I | A | 0.0000 | |
| 628 | I | A | -1.4798 | |
| 629 | C | A | 0.0000 | |
| 630 | N | A | -1.6453 | |
| 631 | D | A | 0.0000 | |
| 632 | R | A | -1.6856 | |
| 633 | L | A | -0.0372 | |
| 634 | G | A | -1.2002 | |
| 635 | K | A | -2.0132 | |
| 636 | K | A | -2.7160 | |
| 637 | I | A | -1.9705 | |
| 638 | R | A | -2.6422 | |
| 639 | I | A | 0.0000 | |
| 640 | K | A | -2.2307 | |
| 641 | C | A | 0.0000 | |
| 642 | N | A | -1.7413 | |
| 643 | T | A | -2.4155 | |
| 644 | D | A | -2.5256 | |
| 645 | D | A | -1.7997 | |
| 646 | T | A | -1.8387 | |
| 647 | I | A | 0.0000 | |
| 648 | G | A | 0.0000 | |
| 649 | D | A | -1.3267 | |
| 650 | L | A | 0.0000 | |
| 651 | K | A | 0.0000 | |
| 652 | K | A | -1.8303 | |
| 653 | L | A | -0.8276 | |
| 654 | I | A | 0.0000 | |
| 655 | A | A | -1.6845 | |
| 656 | A | A | -1.0362 | |
| 657 | Q | A | -1.5355 | |
| 658 | T | A | -1.1788 | |
| 659 | G | A | -1.3422 | |
| 660 | T | A | -1.9017 | |
| 661 | R | A | -2.9287 | |
| 662 | W | A | -2.1468 | |
| 663 | N | A | -2.6940 | |
| 664 | K | A | -2.5854 | |
| 665 | I | A | 0.0000 | |
| 666 | I | A | -0.1016 | |
| 667 | L | A | 0.0000 | |
| 668 | K | A | 0.5619 | |
| 669 | K | A | 0.4522 | |
| 670 | W | A | 1.6809 | |
| 671 | Y | A | 1.8619 | |
| 672 | T | A | 1.0744 | |
| 673 | I | A | 1.4139 | |
| 674 | F | A | 0.0000 | |
| 675 | K | A | -1.7386 | |
| 676 | D | A | -1.8599 | |
| 677 | H | A | -1.7313 | |
| 678 | I | A | -1.5677 | |
| 679 | S | A | -2.1352 | |
| 680 | L | A | 0.0000 | |
| 681 | G | A | -2.9193 | |
| 682 | D | A | -2.6746 | |
| 683 | Y | A | -1.8632 | |
| 684 | E | A | -2.9607 | |
| 685 | I | A | 0.0000 | |
| 686 | H | A | -2.5473 | |
| 687 | D | A | -2.8982 | |
| 688 | G | A | -1.8346 | |
| 689 | M | A | -1.5642 | |
| 690 | N | A | -1.3058 | |
| 691 | L | A | 0.0000 | |
| 692 | E | A | 0.0000 | |
| 693 | L | A | 0.0000 | |
| 694 | Y | A | 0.2405 | |
| 695 | Y | A | -0.4591 | |
| 696 | Q | A | -1.6292 |
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 | -0.874 | 4.8873 | View | CSV | PDB |
| 4.5 | -0.9749 | 4.8873 | View | CSV | PDB |
| 5.0 | -1.0995 | 4.8873 | View | CSV | PDB |
| 5.5 | -1.2235 | 4.8873 | View | CSV | PDB |
| 6.0 | -1.3211 | 4.8873 | View | CSV | PDB |
| 6.5 | -1.3739 | 4.8873 | View | CSV | PDB |
| 7.0 | -1.3809 | 4.8873 | View | CSV | PDB |
| 7.5 | -1.3556 | 4.8873 | View | CSV | PDB |
| 8.0 | -1.3122 | 4.8873 | View | CSV | PDB |
| 8.5 | -1.256 | 4.8873 | View | CSV | PDB |
| 9.0 | -1.1869 | 4.8873 | 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