| Chain sequence(s) |
A: MEDAKNIKKGPAPFYPLEDGTAGEQLHKAMKRYALVPGTIAFTDAHIEVNITYAEYFEMSVRLAEAMKRYGLNTNHRIVVCSENSLQFFMPVLGALFIGVAVAPANDIYNERELLNSMNISQPTVVFVSKKGLQKILNVQKKLPIIQKIIIMDSKTDYQGFQSMYTFVTSHLPPGFNEYDFVPESFDRDKTIALIMNSSGSTGLPKGVALPHRTACVRFSHARDPIFGNQIIPDTAILSVVPFHHGFGMFTTLGYLICGFRVVLMYRFEEELFLRSLQDYKIQSALLVPTLFSFFAKSTLIDKYDLSNLHEIASGGAPLSKEVGEAVAKRFHLPGIRQGYGLTETTSAILITPEGDDKPGAVGKVVPFFEAKVVDLDTGKTLGVNQRGELCVRGPMIMSGYVNNPEATNALIDKDGWLHSGDIAYWDEDEHFFIVDRLKSLIKYKGYQVAPAELESILLQHPNIFDAGVAGLPDDDAGELPAAVVVLEHGKTMTEKEIVDYVASQVTTAKKLRGGVVFVDEVPKGLTGKLDARKIREILIKAKKGGKSKL
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] (00:00:12)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:12)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:12)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:12)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:14)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:08:48)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/711f18fd518d79f/tmp/folded.pdb (00:08:48)
[INFO] Main: Simulation completed successfully. (00:11:40)
|
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 | -0.7151 | |
| 2 | E | A | -2.8685 | |
| 3 | D | A | -3.1530 | |
| 4 | A | A | -1.8792 | |
| 5 | K | A | -2.6536 | |
| 6 | N | A | -1.8975 | |
| 7 | I | A | -1.5885 | |
| 8 | K | A | -1.6661 | |
| 9 | K | A | -2.1011 | |
| 10 | G | A | -1.1318 | |
| 11 | P | A | -0.3201 | |
| 12 | A | A | 0.3974 | |
| 13 | P | A | 1.2826 | |
| 14 | F | A | 2.3321 | |
| 15 | Y | A | 1.5064 | |
| 16 | P | A | 0.3334 | |
| 17 | L | A | -0.2160 | |
| 18 | E | A | -1.7160 | |
| 19 | D | A | -2.4416 | |
| 20 | G | A | -1.7734 | |
| 21 | T | A | 0.0000 | |
| 22 | A | A | 0.0000 | |
| 23 | G | A | 0.0000 | |
| 24 | E | A | -1.1230 | |
| 25 | Q | A | 0.0000 | |
| 26 | L | A | 0.0000 | |
| 27 | H | A | 0.0000 | |
| 28 | K | A | -2.2289 | |
| 29 | A | A | -1.6369 | |
| 30 | M | A | 0.0000 | |
| 31 | K | A | -1.4014 | |
| 32 | R | A | -1.7927 | |
| 33 | Y | A | 0.0000 | |
| 34 | A | A | -0.1361 | |
| 35 | L | A | 1.3115 | |
| 36 | V | A | 1.0764 | |
| 37 | P | A | 0.5289 | |
| 38 | G | A | -0.2021 | |
| 39 | T | A | 0.0000 | |
| 40 | I | A | -0.3654 | |
| 41 | A | A | 0.0000 | |
| 42 | F | A | 0.0000 | |
| 43 | T | A | 0.0000 | |
| 44 | D | A | 0.0000 | |
| 45 | A | A | 0.0000 | |
| 46 | H | A | 0.1755 | |
| 47 | I | A | 1.2265 | |
| 48 | E | A | -0.6267 | |
| 49 | V | A | 0.4268 | |
| 50 | N | A | -0.4285 | |
| 51 | I | A | -0.2705 | |
| 52 | T | A | -0.4778 | |
| 53 | Y | A | 0.0000 | |
| 54 | A | A | -0.5934 | |
| 55 | E | A | -1.5123 | |
| 56 | Y | A | 0.0000 | |
| 57 | F | A | 0.0000 | |
| 58 | E | A | -1.1864 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | V | A | 0.0000 | |
| 62 | R | A | -1.0048 | |
| 63 | L | A | 0.0000 | |
| 64 | A | A | 0.0000 | |
| 65 | E | A | 0.0000 | |
| 66 | A | A | 0.0000 | |
| 67 | M | A | 0.0000 | |
| 68 | K | A | -2.5464 | |
| 69 | R | A | -2.5934 | |
| 70 | Y | A | -1.3502 | |
| 71 | G | A | -1.5266 | |
| 72 | L | A | 0.0000 | |
| 73 | N | A | -2.0580 | |
| 74 | T | A | -1.2401 | |
| 75 | N | A | -1.6967 | |
| 76 | H | A | -1.4290 | |
| 77 | R | A | -1.0477 | |
| 78 | I | A | 0.0000 | |
| 79 | V | A | 0.0000 | |
| 80 | V | A | 0.0000 | |
| 81 | C | A | 0.0000 | |
| 82 | S | A | 0.0000 | |
| 83 | E | A | -0.2973 | |
| 84 | N | A | 0.0000 | |
| 85 | S | A | -0.0439 | |
| 86 | L | A | 0.0000 | |
| 87 | Q | A | -0.3128 | |
| 88 | F | A | 0.0000 | |
| 89 | F | A | 0.0000 | |
| 90 | M | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | V | A | 0.0000 | |
| 93 | L | A | 0.0000 | |
| 94 | G | A | 0.0000 | |
| 95 | A | A | 0.0000 | |
| 96 | L | A | 0.0000 | |
| 97 | F | A | 0.0000 | |
| 98 | I | A | 0.0000 | |
| 99 | G | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | A | A | 0.0000 | |
| 102 | V | A | 0.0000 | |
| 103 | A | A | 0.0000 | |
| 104 | P | A | 0.0000 | |
| 105 | A | A | 0.0000 | |
| 106 | N | A | 0.2499 | |
| 107 | D | A | -0.2345 | |
| 108 | I | A | 1.3052 | |
| 109 | Y | A | -0.1768 | |
| 110 | N | A | -1.5952 | |
| 111 | E | A | -2.5332 | |
| 112 | R | A | -2.9299 | |
| 113 | E | A | -1.7908 | |
| 114 | L | A | 0.0000 | |
| 115 | L | A | -1.8065 | |
| 116 | N | A | -1.1876 | |
| 117 | S | A | 0.0000 | |
| 118 | M | A | 0.0000 | |
| 119 | N | A | -1.3206 | |
| 120 | I | A | -0.6334 | |
| 121 | S | A | 0.0000 | |
| 122 | Q | A | -0.6602 | |
| 123 | P | A | 0.0000 | |
| 124 | T | A | -0.7005 | |
| 125 | V | A | 0.0000 | |
| 126 | V | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | S | A | 0.0000 | |
| 130 | K | A | -1.9359 | |
| 131 | K | A | -2.2543 | |
| 132 | G | A | 0.0000 | |
| 133 | L | A | 0.0000 | |
| 134 | Q | A | -1.9670 | |
| 135 | K | A | -1.7277 | |
| 136 | I | A | 0.0000 | |
| 137 | L | A | -1.2524 | |
| 138 | N | A | -1.8701 | |
| 139 | V | A | 0.0000 | |
| 140 | Q | A | -1.9533 | |
| 141 | K | A | -2.6517 | |
| 142 | K | A | -2.6802 | |
| 143 | L | A | 0.0000 | |
| 144 | P | A | -1.1600 | |
| 145 | I | A | -0.4241 | |
| 146 | I | A | 0.0000 | |
| 147 | Q | A | -1.2590 | |
| 148 | K | A | -0.8855 | |
| 149 | I | A | 0.0000 | |
| 150 | I | A | 0.0000 | |
| 151 | I | A | 0.0000 | |
| 152 | M | A | 0.0000 | |
| 153 | D | A | -1.1492 | |
| 154 | S | A | -1.3704 | |
| 155 | K | A | -1.9672 | |
| 156 | T | A | -1.4713 | |
| 157 | D | A | -1.6918 | |
| 158 | Y | A | -1.2295 | |
| 159 | Q | A | -1.4810 | |
| 160 | G | A | -1.0525 | |
| 161 | F | A | -0.5423 | |
| 162 | Q | A | -0.8757 | |
| 163 | S | A | 0.0000 | |
| 164 | M | A | 0.0000 | |
| 165 | Y | A | -0.5030 | |
| 166 | T | A | -0.5317 | |
| 167 | F | A | 0.0000 | |
| 168 | V | A | 0.0000 | |
| 169 | T | A | -0.2114 | |
| 170 | S | A | -0.4298 | |
| 171 | H | A | -0.9686 | |
| 172 | L | A | -0.6188 | |
| 173 | P | A | -0.5719 | |
| 174 | P | A | -0.4832 | |
| 175 | G | A | -0.6263 | |
| 176 | F | A | -0.6772 | |
| 177 | N | A | -1.4275 | |
| 178 | E | A | 0.0000 | |
| 179 | Y | A | -0.3974 | |
| 180 | D | A | -1.3673 | |
| 181 | F | A | 0.0000 | |
| 182 | V | A | 0.6929 | |
| 183 | P | A | 0.0000 | |
| 184 | E | A | -1.5609 | |
| 185 | S | A | -1.1030 | |
| 186 | F | A | -1.3801 | |
| 187 | D | A | -2.3338 | |
| 188 | R | A | -2.4382 | |
| 189 | D | A | -2.8088 | |
| 190 | K | A | -2.8081 | |
| 191 | T | A | -1.6741 | |
| 192 | I | A | -0.7715 | |
| 193 | A | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | M | A | 0.0000 | |
| 197 | N | A | -0.1814 | |
| 198 | S | A | -0.1646 | |
| 199 | S | A | -0.2480 | |
| 200 | G | A | -0.1179 | |
| 201 | S | A | -0.5433 | |
| 202 | T | A | -0.1029 | |
| 203 | G | A | 0.0213 | |
| 204 | L | A | 0.8200 | |
| 205 | P | A | 0.0695 | |
| 206 | K | A | -0.3101 | |
| 207 | G | A | 0.0000 | |
| 208 | V | A | 0.0000 | |
| 209 | A | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | P | A | 0.0000 | |
| 212 | H | A | 0.0000 | |
| 213 | R | A | -1.4813 | |
| 214 | T | A | 0.0000 | |
| 215 | A | A | 0.0000 | |
| 216 | C | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | R | A | 0.0000 | |
| 219 | F | A | 0.0000 | |
| 220 | S | A | 0.0000 | |
| 221 | H | A | 0.0000 | |
| 222 | A | A | 0.0000 | |
| 223 | R | A | 0.0032 | |
| 224 | D | A | 0.0000 | |
| 225 | P | A | 0.0834 | |
| 226 | I | A | -0.0421 | |
| 227 | F | A | 0.0000 | |
| 228 | G | A | -0.5574 | |
| 229 | N | A | -0.4990 | |
| 230 | Q | A | -0.8466 | |
| 231 | I | A | 0.1745 | |
| 232 | I | A | 1.3374 | |
| 233 | P | A | 0.0262 | |
| 234 | D | A | -1.2528 | |
| 235 | T | A | 0.0000 | |
| 236 | A | A | 0.0000 | |
| 237 | I | A | 0.0000 | |
| 238 | L | A | 0.0000 | |
| 239 | S | A | 0.0000 | |
| 240 | V | A | 0.2671 | |
| 241 | V | A | 0.0000 | |
| 242 | P | A | 0.0763 | |
| 243 | F | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | H | A | -0.0473 | |
| 246 | G | A | 0.0000 | |
| 247 | F | A | 0.1024 | |
| 248 | G | A | 0.0000 | |
| 249 | M | A | 0.0000 | |
| 250 | F | A | 0.0000 | |
| 251 | T | A | 0.0000 | |
| 252 | T | A | 0.0000 | |
| 253 | L | A | 0.0000 | |
| 254 | G | A | 0.0000 | |
| 255 | Y | A | 0.0000 | |
| 256 | L | A | 0.0000 | |
| 257 | I | A | 0.0000 | |
| 258 | C | A | 0.0000 | |
| 259 | G | A | 0.0000 | |
| 260 | F | A | 0.0000 | |
| 261 | R | A | -0.6839 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | M | A | 0.0000 | |
| 266 | Y | A | -0.1352 | |
| 267 | R | A | -1.4939 | |
| 268 | F | A | -0.8751 | |
| 269 | E | A | -2.2016 | |
| 270 | E | A | -2.2811 | |
| 271 | E | A | -2.2675 | |
| 272 | L | A | -1.5921 | |
| 273 | F | A | 0.0000 | |
| 274 | L | A | 0.0000 | |
| 275 | R | A | -2.8315 | |
| 276 | S | A | 0.0000 | |
| 277 | L | A | 0.0000 | |
| 278 | Q | A | -2.4494 | |
| 279 | D | A | -2.3515 | |
| 280 | Y | A | -1.6002 | |
| 281 | K | A | -2.6291 | |
| 282 | I | A | 0.0000 | |
| 283 | Q | A | -0.9731 | |
| 284 | S | A | 0.0000 | |
| 285 | A | A | 0.0000 | |
| 286 | L | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | V | A | -0.0192 | |
| 289 | P | A | -0.2273 | |
| 290 | T | A | -0.1195 | |
| 291 | L | A | 0.0000 | |
| 292 | F | A | 0.0000 | |
| 293 | S | A | 0.0000 | |
| 294 | F | A | 0.0000 | |
| 295 | F | A | 0.0000 | |
| 296 | A | A | -0.8338 | |
| 297 | K | A | -0.4537 | |
| 298 | S | A | -0.5455 | |
| 299 | T | A | -0.8878 | |
| 300 | L | A | -1.2730 | |
| 301 | I | A | 0.0000 | |
| 302 | D | A | -2.8779 | |
| 303 | K | A | -3.0814 | |
| 304 | Y | A | -2.7135 | |
| 305 | D | A | -3.1593 | |
| 306 | L | A | 0.0000 | |
| 307 | S | A | -1.4197 | |
| 308 | N | A | -1.4727 | |
| 309 | L | A | 0.0000 | |
| 310 | H | A | -1.3412 | |
| 311 | E | A | 0.0000 | |
| 312 | I | A | 0.0000 | |
| 313 | A | A | -0.0921 | |
| 314 | S | A | 0.0000 | |
| 315 | G | A | 0.0000 | |
| 316 | G | A | -0.6388 | |
| 317 | A | A | -0.7400 | |
| 318 | P | A | -0.6252 | |
| 319 | L | A | -0.3610 | |
| 320 | S | A | -1.1083 | |
| 321 | K | A | -1.9535 | |
| 322 | E | A | -2.0392 | |
| 323 | V | A | 0.0000 | |
| 324 | G | A | 0.0000 | |
| 325 | E | A | -2.4479 | |
| 326 | A | A | -1.9115 | |
| 327 | V | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | K | A | -2.5567 | |
| 330 | R | A | -1.8488 | |
| 331 | F | A | -1.3296 | |
| 332 | H | A | -1.7905 | |
| 333 | L | A | -1.2706 | |
| 334 | P | A | -1.5614 | |
| 335 | G | A | -1.8661 | |
| 336 | I | A | -1.0246 | |
| 337 | R | A | -0.8308 | |
| 338 | Q | A | -0.4250 | |
| 339 | G | A | -0.2169 | |
| 340 | Y | A | -0.0462 | |
| 341 | G | A | -0.1149 | |
| 342 | L | A | 0.0954 | |
| 343 | T | A | 0.0000 | |
| 344 | E | A | 0.0000 | |
| 345 | T | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | S | A | 0.0000 | |
| 348 | A | A | -0.0479 | |
| 349 | I | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | I | A | 0.0000 | |
| 352 | T | A | 0.0000 | |
| 353 | P | A | 0.0000 | |
| 354 | E | A | -2.0844 | |
| 355 | G | A | -1.8947 | |
| 356 | D | A | -2.4695 | |
| 357 | D | A | -3.0249 | |
| 358 | K | A | -2.3559 | |
| 359 | P | A | -1.7330 | |
| 360 | G | A | -1.2799 | |
| 361 | A | A | 0.0000 | |
| 362 | V | A | -0.2546 | |
| 363 | G | A | 0.0000 | |
| 364 | K | A | -1.3484 | |
| 365 | V | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | P | A | 0.0000 | |
| 368 | F | A | 0.0823 | |
| 369 | F | A | 0.0000 | |
| 370 | E | A | -1.1767 | |
| 371 | A | A | 0.0000 | |
| 372 | K | A | -1.1622 | |
| 373 | V | A | 0.0000 | |
| 374 | V | A | 0.0000 | |
| 375 | D | A | -1.6613 | |
| 376 | L | A | -0.6501 | |
| 377 | D | A | -1.8261 | |
| 378 | T | A | -1.5409 | |
| 379 | G | A | -1.6825 | |
| 380 | K | A | -2.7137 | |
| 381 | T | A | 0.0000 | |
| 382 | L | A | 0.0000 | |
| 383 | G | A | -1.6568 | |
| 384 | V | A | -1.2904 | |
| 385 | N | A | -2.1361 | |
| 386 | Q | A | -2.0688 | |
| 387 | R | A | -2.1515 | |
| 388 | G | A | 0.0000 | |
| 389 | E | A | -0.4521 | |
| 390 | L | A | 0.0000 | |
| 391 | C | A | 0.0000 | |
| 392 | V | A | 0.0000 | |
| 393 | R | A | -1.0550 | |
| 394 | G | A | -0.4500 | |
| 395 | P | A | -0.2921 | |
| 396 | M | A | 0.0000 | |
| 397 | I | A | -0.0124 | |
| 398 | M | A | 0.0000 | |
| 399 | S | A | -0.5229 | |
| 400 | G | A | 0.0000 | |
| 401 | Y | A | 0.0000 | |
| 402 | V | A | -0.4732 | |
| 403 | N | A | -1.6035 | |
| 404 | N | A | -1.8610 | |
| 405 | P | A | -1.9341 | |
| 406 | E | A | -2.6328 | |
| 407 | A | A | -1.5276 | |
| 408 | T | A | -1.4730 | |
| 409 | N | A | -2.3018 | |
| 410 | A | A | -1.2399 | |
| 411 | L | A | -0.7066 | |
| 412 | I | A | -1.1707 | |
| 413 | D | A | -2.2838 | |
| 414 | K | A | -3.0595 | |
| 415 | D | A | -2.9177 | |
| 416 | G | A | -1.9605 | |
| 417 | W | A | 0.0000 | |
| 418 | L | A | 0.0000 | |
| 419 | H | A | -0.3701 | |
| 420 | S | A | 0.0000 | |
| 421 | G | A | -0.5353 | |
| 422 | D | A | 0.0000 | |
| 423 | I | A | 0.0000 | |
| 424 | A | A | 0.0000 | |
| 425 | Y | A | -1.0524 | |
| 426 | W | A | 0.0000 | |
| 427 | D | A | 0.0000 | |
| 428 | E | A | -3.0829 | |
| 429 | D | A | -3.3454 | |
| 430 | E | A | -2.9114 | |
| 431 | H | A | 0.0000 | |
| 432 | F | A | 0.0000 | |
| 433 | F | A | 0.0000 | |
| 434 | I | A | 0.0525 | |
| 435 | V | A | 0.0000 | |
| 436 | D | A | 0.0000 | |
| 437 | R | A | -0.9450 | |
| 438 | L | A | -0.7195 | |
| 439 | K | A | -1.8775 | |
| 440 | S | A | -1.4193 | |
| 441 | L | A | -1.0536 | |
| 442 | I | A | 0.0000 | |
| 443 | K | A | -2.5456 | |
| 444 | Y | A | 0.0000 | |
| 445 | K | A | -2.3394 | |
| 446 | G | A | -1.1928 | |
| 447 | Y | A | -0.5043 | |
| 448 | Q | A | -1.4692 | |
| 449 | V | A | 0.0000 | |
| 450 | A | A | 0.0000 | |
| 451 | P | A | 0.0000 | |
| 452 | A | A | -0.2429 | |
| 453 | E | A | -0.4315 | |
| 454 | L | A | 0.0000 | |
| 455 | E | A | -0.2848 | |
| 456 | S | A | -0.6003 | |
| 457 | I | A | -0.3954 | |
| 458 | L | A | 0.0000 | |
| 459 | L | A | -0.2789 | |
| 460 | Q | A | -1.0046 | |
| 461 | H | A | -0.4548 | |
| 462 | P | A | -0.7534 | |
| 463 | N | A | -1.0411 | |
| 464 | I | A | 0.0000 | |
| 465 | F | A | -0.2526 | |
| 466 | D | A | 0.0000 | |
| 467 | A | A | 0.0000 | |
| 468 | G | A | 0.0000 | |
| 469 | V | A | 0.0000 | |
| 470 | A | A | 0.0000 | |
| 471 | G | A | 0.0000 | |
| 472 | L | A | 0.0000 | |
| 473 | P | A | -1.5538 | |
| 474 | D | A | -2.4347 | |
| 475 | D | A | -3.1180 | |
| 476 | D | A | -3.2040 | |
| 477 | A | A | 0.0000 | |
| 478 | G | A | -2.6242 | |
| 479 | E | A | -2.1493 | |
| 480 | L | A | -1.5168 | |
| 481 | P | A | 0.0000 | |
| 482 | A | A | 0.0000 | |
| 483 | A | A | 0.0000 | |
| 484 | V | A | 0.0000 | |
| 485 | V | A | 0.0000 | |
| 486 | V | A | 0.0000 | |
| 487 | L | A | -0.7801 | |
| 488 | E | A | -1.2400 | |
| 489 | H | A | -1.6943 | |
| 490 | G | A | -1.6805 | |
| 491 | K | A | -1.9733 | |
| 492 | T | A | -0.9728 | |
| 493 | M | A | -0.9819 | |
| 494 | T | A | -1.4088 | |
| 495 | E | A | -1.8246 | |
| 496 | K | A | -3.1322 | |
| 497 | E | A | -3.1053 | |
| 498 | I | A | 0.0000 | |
| 499 | V | A | -1.9919 | |
| 500 | D | A | -2.9177 | |
| 501 | Y | A | -1.6063 | |
| 502 | V | A | 0.0000 | |
| 503 | A | A | -1.4145 | |
| 504 | S | A | -1.1455 | |
| 505 | Q | A | -1.4482 | |
| 506 | V | A | -0.6737 | |
| 507 | T | A | -0.4977 | |
| 508 | T | A | -0.5577 | |
| 509 | A | A | 0.0000 | |
| 510 | K | A | -0.8864 | |
| 511 | K | A | -1.2312 | |
| 512 | L | A | 0.0000 | |
| 513 | R | A | -0.9674 | |
| 514 | G | A | 0.0000 | |
| 515 | G | A | 0.0000 | |
| 516 | V | A | 0.0000 | |
| 517 | V | A | 0.4940 | |
| 518 | F | A | 0.6224 | |
| 519 | V | A | -0.5446 | |
| 520 | D | A | -2.2860 | |
| 521 | E | A | -2.4589 | |
| 522 | V | A | 0.0000 | |
| 523 | P | A | 0.0000 | |
| 524 | K | A | -1.5096 | |
| 525 | G | A | -0.7948 | |
| 526 | L | A | 0.4119 | |
| 527 | T | A | 0.0000 | |
| 528 | G | A | -0.8903 | |
| 529 | K | A | -1.6995 | |
| 530 | L | A | -1.3631 | |
| 531 | D | A | -2.1637 | |
| 532 | A | A | -2.1923 | |
| 533 | R | A | -3.1195 | |
| 534 | K | A | -2.9868 | |
| 535 | I | A | 0.0000 | |
| 536 | R | A | -2.4407 | |
| 537 | E | A | -2.6895 | |
| 538 | I | A | -1.3874 | |
| 539 | L | A | 0.0000 | |
| 540 | I | A | -1.7710 | |
| 541 | K | A | -2.7193 | |
| 542 | A | A | -1.9876 | |
| 543 | K | A | -2.4973 | |
| 544 | K | A | -3.6101 | |
| 545 | G | A | -2.9992 | |
| 546 | G | A | -2.7479 | |
| 547 | K | A | -2.9628 | |
| 548 | S | A | -2.1184 | |
| 549 | K | A | -1.9593 | |
| 550 | L | A | 0.1459 |
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 | -0.6057 | 5.7473 | View | CSV | PDB |
| 4.5 | -0.6635 | 5.7473 | View | CSV | PDB |
| 5.0 | -0.7312 | 5.7473 | View | CSV | PDB |
| 5.5 | -0.7957 | 5.7473 | View | CSV | PDB |
| 6.0 | -0.8421 | 5.7473 | View | CSV | PDB |
| 6.5 | -0.8595 | 5.7473 | View | CSV | PDB |
| 7.0 | -0.849 | 5.7473 | View | CSV | PDB |
| 7.5 | -0.8212 | 5.7471 | View | CSV | PDB |
| 8.0 | -0.7843 | 5.7467 | View | CSV | PDB |
| 8.5 | -0.7398 | 5.7456 | View | CSV | PDB |
| 9.0 | -0.6867 | 5.7418 | 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