| Chain sequence(s) |
A: MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGL
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 (00:19:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e759fdbee1ae6bf/tmp/folded.pdb (00:19:09)
[INFO] Main: Simulation completed successfully. (00:22:21)
|
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 | 1.2654 | |
| 2 | K | A | 0.1779 | |
| 3 | W | A | 1.9360 | |
| 4 | V | A | 2.6677 | |
| 5 | T | A | 1.8368 | |
| 6 | F | A | 2.4217 | |
| 7 | I | A | 2.4593 | |
| 8 | S | A | 2.4480 | |
| 9 | L | A | 3.0804 | |
| 10 | L | A | 2.7124 | |
| 11 | F | A | 2.7042 | |
| 12 | L | A | 3.2032 | |
| 13 | F | A | 2.9050 | |
| 14 | S | A | 1.6371 | |
| 15 | S | A | 0.8369 | |
| 16 | A | A | 1.0790 | |
| 17 | Y | A | 1.2555 | |
| 18 | S | A | -0.3211 | |
| 19 | R | A | -1.5350 | |
| 20 | G | A | -0.7532 | |
| 21 | V | A | 0.2656 | |
| 22 | F | A | -0.3342 | |
| 23 | R | A | -2.5166 | |
| 24 | R | A | -3.0122 | |
| 25 | D | A | -3.3309 | |
| 26 | A | A | -2.7143 | |
| 27 | H | A | -2.7485 | |
| 28 | K | A | -3.1078 | |
| 29 | S | A | 0.0000 | |
| 30 | E | A | -1.7469 | |
| 31 | V | A | 0.0000 | |
| 32 | A | A | 0.0000 | |
| 33 | H | A | -1.8640 | |
| 34 | R | A | -1.8645 | |
| 35 | F | A | 0.0000 | |
| 36 | K | A | -3.1167 | |
| 37 | D | A | -3.0815 | |
| 38 | L | A | 0.0000 | |
| 39 | G | A | -2.6776 | |
| 40 | E | A | -3.3800 | |
| 41 | E | A | -3.0660 | |
| 42 | N | A | -2.0888 | |
| 43 | F | A | 0.0000 | |
| 44 | K | A | -1.5997 | |
| 45 | A | A | -0.9600 | |
| 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 | -1.3580 | |
| 58 | C | A | 0.0000 | |
| 59 | P | A | -1.3762 | |
| 60 | F | A | 0.0000 | |
| 61 | E | A | -2.8049 | |
| 62 | D | A | -2.4786 | |
| 63 | H | A | 0.0000 | |
| 64 | V | A | -2.0782 | |
| 65 | K | A | -3.1043 | |
| 66 | L | A | -2.0822 | |
| 67 | V | A | 0.0000 | |
| 68 | N | A | -2.8227 | |
| 69 | E | A | -3.2004 | |
| 70 | V | A | 0.0000 | |
| 71 | T | A | 0.0000 | |
| 72 | E | A | -2.9761 | |
| 73 | F | A | -1.5816 | |
| 74 | A | A | 0.0000 | |
| 75 | K | A | -2.4308 | |
| 76 | T | A | -1.6071 | |
| 77 | C | A | 0.0000 | |
| 78 | V | A | -1.2583 | |
| 79 | A | A | -0.9154 | |
| 80 | D | A | -2.0049 | |
| 81 | E | A | -2.6701 | |
| 82 | S | A | -2.0957 | |
| 83 | A | A | -1.9316 | |
| 84 | E | A | -2.8030 | |
| 85 | N | A | -2.2818 | |
| 86 | C | A | 0.0000 | |
| 87 | D | A | -3.4325 | |
| 88 | K | A | -2.2423 | |
| 89 | S | A | -1.2225 | |
| 90 | L | A | 0.0000 | |
| 91 | H | A | -0.5887 | |
| 92 | T | A | -0.9983 | |
| 93 | L | A | -0.6201 | |
| 94 | F | A | -0.2692 | |
| 95 | G | A | 0.0000 | |
| 96 | D | A | -0.7520 | |
| 97 | K | A | -0.8282 | |
| 98 | L | A | 0.0000 | |
| 99 | C | A | -0.4427 | |
| 100 | T | A | -0.1216 | |
| 101 | V | A | -0.3397 | |
| 102 | A | A | -0.4656 | |
| 103 | T | A | -1.1562 | |
| 104 | L | A | 0.0000 | |
| 105 | R | A | -3.3877 | |
| 106 | E | A | -2.9544 | |
| 107 | T | A | -1.8670 | |
| 108 | Y | A | -1.9367 | |
| 109 | G | A | -2.5708 | |
| 110 | E | A | -3.0679 | |
| 111 | M | A | 0.0000 | |
| 112 | A | A | -2.2620 | |
| 113 | D | A | -2.7393 | |
| 114 | C | A | 0.0000 | |
| 115 | C | A | -1.2691 | |
| 116 | A | A | -1.2252 | |
| 117 | K | A | -2.4123 | |
| 118 | Q | A | -2.1624 | |
| 119 | E | A | -1.9490 | |
| 120 | P | A | -1.9051 | |
| 121 | E | A | -2.5717 | |
| 122 | R | A | 0.0000 | |
| 123 | N | A | 0.0000 | |
| 124 | E | A | -2.8055 | |
| 125 | C | A | -2.2230 | |
| 126 | F | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | Q | A | -1.8642 | |
| 129 | H | A | -1.5556 | |
| 130 | K | A | 0.0000 | |
| 131 | D | A | -1.6693 | |
| 132 | D | A | -1.5924 | |
| 133 | N | A | -1.9381 | |
| 134 | P | A | -1.6520 | |
| 135 | N | A | -2.0210 | |
| 136 | L | A | -1.2437 | |
| 137 | P | A | -0.7701 | |
| 138 | R | A | -1.2230 | |
| 139 | L | A | 0.6782 | |
| 140 | V | A | 0.6974 | |
| 141 | R | A | -1.1340 | |
| 142 | P | A | -1.1572 | |
| 143 | E | A | -2.1170 | |
| 144 | V | A | -1.6808 | |
| 145 | D | A | -1.7281 | |
| 146 | V | A | -0.3868 | |
| 147 | M | A | 0.0000 | |
| 148 | C | A | 0.0000 | |
| 149 | T | A | -1.1159 | |
| 150 | A | A | -1.1415 | |
| 151 | F | A | 0.0000 | |
| 152 | H | A | -2.4170 | |
| 153 | D | A | -3.0628 | |
| 154 | N | A | -2.8874 | |
| 155 | E | A | -3.0360 | |
| 156 | E | A | -3.1390 | |
| 157 | T | A | -1.7402 | |
| 158 | F | A | -1.5957 | |
| 159 | L | A | -1.2362 | |
| 160 | K | A | -1.0523 | |
| 161 | K | A | -1.3038 | |
| 162 | Y | A | -0.4023 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | 0.0000 | |
| 165 | E | A | -0.2203 | |
| 166 | I | A | -0.3088 | |
| 167 | A | A | 0.0000 | |
| 168 | R | A | -0.7216 | |
| 169 | R | A | -1.1833 | |
| 170 | H | A | -0.8208 | |
| 171 | P | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | F | A | 0.0000 | |
| 174 | Y | A | -0.1291 | |
| 175 | A | A | 0.0000 | |
| 176 | P | A | 0.0000 | |
| 177 | E | A | -0.2669 | |
| 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 | -1.8224 | |
| 184 | R | A | -2.2516 | |
| 185 | Y | A | -1.3842 | |
| 186 | K | A | -1.8704 | |
| 187 | A | A | -1.5333 | |
| 188 | A | A | 0.0000 | |
| 189 | F | A | 0.0000 | |
| 190 | T | A | -1.6879 | |
| 191 | E | A | -2.2772 | |
| 192 | C | A | 0.0000 | |
| 193 | C | A | 0.0000 | |
| 194 | Q | A | -2.0308 | |
| 195 | A | A | -1.6621 | |
| 196 | A | A | -1.1926 | |
| 197 | D | A | -2.1074 | |
| 198 | K | A | -2.0065 | |
| 199 | A | A | -1.0947 | |
| 200 | A | A | -0.5689 | |
| 201 | C | A | -0.9184 | |
| 202 | L | A | 0.0000 | |
| 203 | L | A | -0.6346 | |
| 204 | P | A | -1.3211 | |
| 205 | K | A | -1.9344 | |
| 206 | L | A | -2.4917 | |
| 207 | D | A | -3.5820 | |
| 208 | E | A | -4.3638 | |
| 209 | L | A | -3.7473 | |
| 210 | R | A | -4.6685 | |
| 211 | D | A | -4.9461 | |
| 212 | E | A | -4.3348 | |
| 213 | G | A | -3.2900 | |
| 214 | K | A | -3.4656 | |
| 215 | A | A | -2.2714 | |
| 216 | S | A | -1.7544 | |
| 217 | S | A | 0.0000 | |
| 218 | A | A | -1.1532 | |
| 219 | K | A | -1.2056 | |
| 220 | Q | A | 0.0000 | |
| 221 | R | A | -0.7453 | |
| 222 | L | A | 0.0000 | |
| 223 | K | A | -0.9627 | |
| 224 | C | A | 0.0000 | |
| 225 | A | A | -0.9421 | |
| 226 | S | A | 0.0000 | |
| 227 | L | A | 0.0000 | |
| 228 | Q | A | -1.9174 | |
| 229 | K | A | -1.7593 | |
| 230 | F | A | -1.3886 | |
| 231 | G | A | -1.9122 | |
| 232 | E | A | -2.8736 | |
| 233 | R | A | -2.9211 | |
| 234 | A | A | -1.6290 | |
| 235 | F | A | 0.0000 | |
| 236 | K | A | -1.9866 | |
| 237 | A | A | -1.2397 | |
| 238 | W | A | -0.6570 | |
| 239 | A | A | 0.0000 | |
| 240 | V | A | 0.0000 | |
| 241 | A | A | 0.0000 | |
| 242 | R | A | -0.6055 | |
| 243 | L | A | 0.0000 | |
| 244 | S | A | 0.0000 | |
| 245 | Q | A | 0.0000 | |
| 246 | R | A | -1.7386 | |
| 247 | F | A | 0.0000 | |
| 248 | P | A | 0.0000 | |
| 249 | K | A | -2.3304 | |
| 250 | A | A | 0.0000 | |
| 251 | E | A | -2.1779 | |
| 252 | F | A | -0.8921 | |
| 253 | A | A | -0.6882 | |
| 254 | E | A | -1.2873 | |
| 255 | V | A | 0.0000 | |
| 256 | S | A | -0.7551 | |
| 257 | K | A | -0.9685 | |
| 258 | L | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | T | A | -1.1169 | |
| 261 | D | A | -1.3623 | |
| 262 | L | A | -0.7439 | |
| 263 | T | A | 0.0000 | |
| 264 | K | A | -2.0166 | |
| 265 | V | A | 0.0000 | |
| 266 | H | A | 0.0000 | |
| 267 | T | A | -1.2790 | |
| 268 | E | A | -1.1704 | |
| 269 | C | A | 0.0000 | |
| 270 | C | A | 0.0000 | |
| 271 | H | A | -1.0434 | |
| 272 | G | A | 0.0000 | |
| 273 | D | A | -0.5870 | |
| 274 | L | A | 0.0000 | |
| 275 | L | A | 0.0000 | |
| 276 | E | A | -1.2196 | |
| 277 | C | A | 0.0000 | |
| 278 | A | A | 0.0000 | |
| 279 | D | A | -1.6325 | |
| 280 | D | A | -2.1653 | |
| 281 | R | A | 0.0000 | |
| 282 | A | A | -1.7087 | |
| 283 | D | A | -2.6526 | |
| 284 | L | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | K | A | -2.7457 | |
| 287 | Y | A | -1.7670 | |
| 288 | I | A | 0.0000 | |
| 289 | C | A | -2.5011 | |
| 290 | E | A | -2.6477 | |
| 291 | N | A | -2.0559 | |
| 292 | Q | A | -2.4442 | |
| 293 | D | A | -2.9109 | |
| 294 | S | A | -2.0909 | |
| 295 | I | A | 0.0000 | |
| 296 | S | A | 0.0000 | |
| 297 | S | A | -2.1957 | |
| 298 | K | A | -2.7711 | |
| 299 | L | A | 0.0000 | |
| 300 | K | A | -3.6353 | |
| 301 | E | A | -3.5465 | |
| 302 | C | A | 0.0000 | |
| 303 | C | A | -2.8191 | |
| 304 | E | A | -3.1436 | |
| 305 | K | A | -2.3404 | |
| 306 | P | A | -0.7989 | |
| 307 | L | A | -0.3116 | |
| 308 | L | A | -0.0556 | |
| 309 | E | A | -0.9337 | |
| 310 | K | A | -1.4363 | |
| 311 | S | A | -0.8031 | |
| 312 | H | A | -0.6743 | |
| 313 | C | A | -1.2121 | |
| 314 | I | A | 0.0000 | |
| 315 | A | A | -1.1839 | |
| 316 | E | A | -2.3408 | |
| 317 | V | A | 0.0000 | |
| 318 | E | A | -2.9135 | |
| 319 | N | A | -2.2657 | |
| 320 | D | A | 0.0000 | |
| 321 | E | A | -2.3834 | |
| 322 | M | A | -1.2050 | |
| 323 | P | A | -1.1918 | |
| 324 | A | A | -1.1012 | |
| 325 | D | A | -1.6904 | |
| 326 | L | A | -0.9157 | |
| 327 | P | A | -0.8427 | |
| 328 | S | A | -0.6749 | |
| 329 | L | A | -0.6189 | |
| 330 | A | A | -0.9148 | |
| 331 | A | A | -1.5735 | |
| 332 | D | A | -2.4449 | |
| 333 | F | A | 0.0000 | |
| 334 | V | A | 0.0000 | |
| 335 | E | A | -3.2292 | |
| 336 | S | A | -2.9041 | |
| 337 | K | A | -3.8038 | |
| 338 | D | A | -3.8480 | |
| 339 | V | A | 0.0000 | |
| 340 | C | A | -2.3087 | |
| 341 | K | A | -3.3309 | |
| 342 | N | A | -2.7953 | |
| 343 | Y | A | 0.0000 | |
| 344 | A | A | -2.2780 | |
| 345 | E | A | -2.6844 | |
| 346 | A | A | -1.6347 | |
| 347 | K | A | -1.8889 | |
| 348 | D | A | -2.0825 | |
| 349 | V | A | -0.3239 | |
| 350 | F | A | 0.0000 | |
| 351 | L | A | -0.6001 | |
| 352 | G | A | -0.2828 | |
| 353 | M | A | 0.0113 | |
| 354 | F | A | 0.0000 | |
| 355 | L | A | 0.0000 | |
| 356 | Y | A | 0.0000 | |
| 357 | E | A | -0.3584 | |
| 358 | Y | A | 0.0000 | |
| 359 | A | A | 0.0000 | |
| 360 | R | A | 0.0000 | |
| 361 | R | A | -0.5256 | |
| 362 | H | A | -0.5135 | |
| 363 | P | A | -1.0306 | |
| 364 | D | A | -1.4186 | |
| 365 | Y | A | -0.6172 | |
| 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 | -0.7289 | |
| 373 | L | A | 0.0000 | |
| 374 | A | A | -0.7500 | |
| 375 | K | A | -1.4596 | |
| 376 | T | A | -1.0531 | |
| 377 | Y | A | 0.0000 | |
| 378 | E | A | -1.5029 | |
| 379 | T | A | -1.6010 | |
| 380 | T | A | 0.0000 | |
| 381 | L | A | 0.0000 | |
| 382 | E | A | -2.6316 | |
| 383 | K | A | -2.5377 | |
| 384 | C | A | 0.0000 | |
| 385 | C | A | -1.3131 | |
| 386 | A | A | -0.9823 | |
| 387 | A | A | -1.2502 | |
| 388 | A | A | -0.9585 | |
| 389 | D | A | -2.2518 | |
| 390 | P | A | -2.2430 | |
| 391 | H | A | -2.7542 | |
| 392 | E | A | -3.0305 | |
| 393 | C | A | -1.7989 | |
| 394 | Y | A | 0.0000 | |
| 395 | A | A | -2.0452 | |
| 396 | K | A | -2.5298 | |
| 397 | V | A | 0.0000 | |
| 398 | F | A | -1.4089 | |
| 399 | D | A | -2.9546 | |
| 400 | E | A | -2.4167 | |
| 401 | F | A | 0.0000 | |
| 402 | K | A | -2.8321 | |
| 403 | P | A | -2.0909 | |
| 404 | L | A | -1.4497 | |
| 405 | V | A | 0.0000 | |
| 406 | E | A | -2.4155 | |
| 407 | E | A | -1.9735 | |
| 408 | P | A | 0.0000 | |
| 409 | Q | A | -2.7381 | |
| 410 | N | A | -2.5737 | |
| 411 | L | A | -1.8201 | |
| 412 | I | A | 0.0000 | |
| 413 | K | A | -3.1825 | |
| 414 | Q | A | -2.8873 | |
| 415 | N | A | -1.9750 | |
| 416 | C | A | 0.0000 | |
| 417 | E | A | -3.2825 | |
| 418 | L | A | -2.1703 | |
| 419 | F | A | -2.2801 | |
| 420 | E | A | -3.2344 | |
| 421 | Q | A | -2.5417 | |
| 422 | L | A | -1.6095 | |
| 423 | G | A | -1.7069 | |
| 424 | E | A | -1.7017 | |
| 425 | Y | A | -1.2748 | |
| 426 | K | A | -1.8561 | |
| 427 | F | A | 0.0000 | |
| 428 | Q | A | 0.0000 | |
| 429 | N | A | -1.0385 | |
| 430 | A | A | -0.8737 | |
| 431 | L | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | V | A | 0.0000 | |
| 434 | R | A | -1.0766 | |
| 435 | Y | A | 0.0000 | |
| 436 | T | A | 0.0000 | |
| 437 | K | A | -1.2467 | |
| 438 | K | A | 0.0000 | |
| 439 | V | A | 0.0000 | |
| 440 | P | A | 0.0000 | |
| 441 | Q | A | -0.2971 | |
| 442 | V | A | 0.0000 | |
| 443 | S | A | -0.2011 | |
| 444 | T | A | 0.0000 | |
| 445 | P | A | -0.6079 | |
| 446 | T | A | -0.7314 | |
| 447 | L | A | 0.0000 | |
| 448 | V | A | 0.0000 | |
| 449 | E | A | -1.5957 | |
| 450 | V | A | 0.0000 | |
| 451 | S | A | 0.0000 | |
| 452 | R | A | -1.0603 | |
| 453 | N | A | -1.0296 | |
| 454 | L | A | 0.0000 | |
| 455 | G | A | 0.0000 | |
| 456 | K | A | -1.3525 | |
| 457 | V | A | 0.0000 | |
| 458 | G | A | 0.0000 | |
| 459 | S | A | -1.5691 | |
| 460 | K | A | -1.4560 | |
| 461 | C | A | 0.0000 | |
| 462 | C | A | 0.0000 | |
| 463 | K | A | -2.7638 | |
| 464 | H | A | -2.2537 | |
| 465 | P | A | -2.0391 | |
| 466 | E | A | -3.0746 | |
| 467 | A | A | -1.8686 | |
| 468 | K | A | -2.1609 | |
| 469 | R | A | -2.3021 | |
| 470 | M | A | 0.0000 | |
| 471 | P | A | -0.4549 | |
| 472 | C | A | -0.4327 | |
| 473 | A | A | 0.0000 | |
| 474 | E | A | 0.0000 | |
| 475 | D | A | -0.0587 | |
| 476 | Y | A | -0.0112 | |
| 477 | L | A | 0.2171 | |
| 478 | S | A | -0.0684 | |
| 479 | V | A | 0.0000 | |
| 480 | V | A | 0.0000 | |
| 481 | L | A | 0.0000 | |
| 482 | N | A | 0.0000 | |
| 483 | Q | A | -0.7459 | |
| 484 | L | A | 0.0000 | |
| 485 | C | A | 0.0000 | |
| 486 | V | A | -1.1584 | |
| 487 | L | A | -1.2890 | |
| 488 | H | A | 0.0000 | |
| 489 | E | A | -2.5366 | |
| 490 | K | A | -2.6982 | |
| 491 | T | A | -1.2798 | |
| 492 | P | A | -1.1388 | |
| 493 | V | A | -0.1495 | |
| 494 | S | A | 0.0000 | |
| 495 | D | A | -2.0869 | |
| 496 | R | A | -1.3340 | |
| 497 | V | A | 0.0000 | |
| 498 | T | A | -1.8211 | |
| 499 | K | A | -2.2149 | |
| 500 | C | A | 0.0000 | |
| 501 | C | A | 0.0000 | |
| 502 | T | A | -1.6817 | |
| 503 | E | A | -2.2068 | |
| 504 | S | A | -1.2666 | |
| 505 | L | A | 0.0000 | |
| 506 | V | A | -0.5148 | |
| 507 | N | A | -0.8331 | |
| 508 | R | A | 0.0000 | |
| 509 | R | A | 0.0000 | |
| 510 | P | A | -0.2379 | |
| 511 | C | A | -0.4637 | |
| 512 | F | A | 0.0000 | |
| 513 | S | A | -0.4280 | |
| 514 | A | A | -0.4210 | |
| 515 | L | A | 0.0000 | |
| 516 | E | A | -1.9997 | |
| 517 | V | A | -1.3479 | |
| 518 | D | A | 0.0000 | |
| 519 | E | A | -1.8823 | |
| 520 | T | A | -0.3779 | |
| 521 | Y | A | 0.2114 | |
| 522 | V | A | 0.9080 | |
| 523 | P | A | -0.6339 | |
| 524 | K | A | -1.4894 | |
| 525 | E | A | -2.0579 | |
| 526 | F | A | -1.0659 | |
| 527 | N | A | -1.5624 | |
| 528 | A | A | -1.4888 | |
| 529 | E | A | -1.9159 | |
| 530 | T | A | -0.9603 | |
| 531 | F | A | 0.0000 | |
| 532 | T | A | -1.2270 | |
| 533 | F | A | -1.0885 | |
| 534 | H | A | -1.8638 | |
| 535 | A | A | -2.0059 | |
| 536 | D | A | -2.2506 | |
| 537 | I | A | 0.0000 | |
| 538 | C | A | -1.4452 | |
| 539 | T | A | -0.8351 | |
| 540 | L | A | -1.4332 | |
| 541 | S | A | -1.7624 | |
| 542 | E | A | -3.1228 | |
| 543 | K | A | -3.0955 | |
| 544 | E | A | -2.3230 | |
| 545 | R | A | -2.4255 | |
| 546 | Q | A | -1.9300 | |
| 547 | I | A | -1.2806 | |
| 548 | K | A | -1.4913 | |
| 549 | K | A | -1.0425 | |
| 550 | Q | A | 0.0000 | |
| 551 | T | A | -0.5488 | |
| 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 | 0.0000 | |
| 560 | K | A | -0.9580 | |
| 561 | P | A | 0.0000 | |
| 562 | K | A | -2.2478 | |
| 563 | A | A | 0.0000 | |
| 564 | T | A | -2.2903 | |
| 565 | K | A | -3.3366 | |
| 566 | E | A | -3.3836 | |
| 567 | Q | A | -2.6620 | |
| 568 | L | A | 0.0000 | |
| 569 | K | A | -3.6264 | |
| 570 | A | A | -2.6611 | |
| 571 | V | A | 0.0000 | |
| 572 | M | A | -2.1641 | |
| 573 | D | A | -3.0589 | |
| 574 | D | A | -2.9726 | |
| 575 | F | A | 0.0000 | |
| 576 | A | A | -1.8167 | |
| 577 | A | A | -2.0263 | |
| 578 | F | A | 0.0000 | |
| 579 | V | A | -1.9533 | |
| 580 | E | A | -3.0308 | |
| 581 | K | A | -3.0627 | |
| 582 | C | A | 0.0000 | |
| 583 | C | A | -2.8333 | |
| 584 | K | A | -3.3142 | |
| 585 | A | A | -3.1416 | |
| 586 | D | A | -3.2087 | |
| 587 | D | A | -3.2415 | |
| 588 | K | A | -3.3555 | |
| 589 | E | A | -2.9262 | |
| 590 | T | A | -2.1642 | |
| 591 | C | A | -2.4852 | |
| 592 | F | A | 0.0000 | |
| 593 | A | A | -2.1378 | |
| 594 | E | A | -3.0685 | |
| 595 | E | A | -2.6896 | |
| 596 | G | A | -2.4001 | |
| 597 | K | A | -3.1467 | |
| 598 | K | A | -3.0025 | |
| 599 | L | A | 0.0000 | |
| 600 | V | A | -1.2838 | |
| 601 | A | A | -0.7657 | |
| 602 | A | A | -0.9581 | |
| 603 | S | A | 0.0000 | |
| 604 | Q | A | 0.2422 | |
| 605 | A | A | 0.1949 | |
| 606 | A | A | -0.1645 | |
| 607 | L | A | 0.0000 | |
| 608 | G | A | 0.1313 | |
| 609 | L | A | 1.2281 |
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 | -0.8503 | 4.4615 | View | CSV | PDB |
| 4.5 | -0.9588 | 4.4615 | View | CSV | PDB |
| 5.0 | -1.0952 | 4.4615 | View | CSV | PDB |
| 5.5 | -1.2344 | 4.4615 | View | CSV | PDB |
| 6.0 | -1.3491 | 4.4615 | View | CSV | PDB |
| 6.5 | -1.4183 | 4.4615 | View | CSV | PDB |
| 7.0 | -1.4378 | 4.4615 | View | CSV | PDB |
| 7.5 | -1.4209 | 4.6841 | View | CSV | PDB |
| 8.0 | -1.3835 | 4.9248 | View | CSV | PDB |
| 8.5 | -1.3323 | 5.1634 | View | CSV | PDB |
| 9.0 | -1.2675 | 5.394 | 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