| Chain sequence(s) |
A: MAWSHPQFEKSGDATMASMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTNSDLEVLFQGPLGSTMQRNPLNNIPTLGGPSAPILSYLTAINYTLNSRKLLREGYEKFQGSVFKVALLDQWMVIVNGPRMLDEIRKRPDEELSFMESTEDFLQIRYILGPESHDDPYHIDLIRDKLTRSLPAVLPEVVDEIRSAVPEYIPTQGDEWTTVDVITTMQKIVARLSNRVFVGLPICRNKEYLDLAIKVTTDIVFDGFLLNLVPSALKSTVAAWMSNVKRTVRRALPHLKPAIDERKAKIQEYGLGEDWPGKPSDMLQWVLEQAIPRGVSDESIAARILLVNFAAIHTSSTSMSHVLYDLAASPEYIEPLREEVEAITAADGWTKAAMGKMRKLDSFLKESQRFNGIGLTSVGRKALKDVTLHDGTMLPAGTLVVANSFATHRDDEHYPNAADFDPFRFARIREGEGEGTKHQFVATSTSYVPFGVGRHACPGRFFAANELKAMLAYIVVNYDLKVAGGGARPTNVYFANTVLPNQKGQVMFRKRQSVPSSA
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 |
| Mutated residues | MR401A |
| Energy difference between WT (input) and mutated protein (by FoldX) | -0.532986 kcal/mol |
| 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. (00:00:04)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] FoldX: Building mutant model (00:17:36)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:17:56)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/58fe451dcbfda79/tmp/folded.pdb (00:17:56)
[INFO] Main: Simulation completed successfully. (00:22:45)
|
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 | 1.3376 | |
| 2 | A | A | 0.9820 | |
| 3 | W | A | 1.0954 | |
| 4 | S | A | -0.2034 | |
| 5 | H | A | -0.9932 | |
| 6 | P | A | -0.9767 | |
| 7 | Q | A | -1.3807 | |
| 8 | F | A | -0.1923 | |
| 9 | E | A | -2.1952 | |
| 10 | K | A | -2.7216 | |
| 11 | S | A | -1.9215 | |
| 12 | G | A | -2.2196 | |
| 13 | D | A | -2.1128 | |
| 14 | A | A | -0.7638 | |
| 15 | T | A | -0.2380 | |
| 16 | M | A | 0.7514 | |
| 17 | A | A | 0.2695 | |
| 18 | S | A | -0.5300 | |
| 19 | M | A | -0.6532 | |
| 20 | K | A | -2.3134 | |
| 21 | I | A | -2.0474 | |
| 22 | E | A | -3.2880 | |
| 23 | E | A | -3.2178 | |
| 24 | G | A | -2.0307 | |
| 25 | K | A | -2.2522 | |
| 26 | L | A | 0.0000 | |
| 27 | V | A | -0.1751 | |
| 28 | I | A | 0.0000 | |
| 29 | W | A | 0.0000 | |
| 30 | I | A | 0.0000 | |
| 31 | N | A | -1.8905 | |
| 32 | G | A | -2.2345 | |
| 33 | D | A | -2.2835 | |
| 34 | K | A | -1.8453 | |
| 35 | G | A | 0.0000 | |
| 36 | Y | A | -1.2471 | |
| 37 | N | A | -1.6526 | |
| 38 | G | A | 0.0000 | |
| 39 | L | A | 0.0000 | |
| 40 | A | A | -1.6513 | |
| 41 | E | A | -2.8982 | |
| 42 | V | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | K | A | -3.9098 | |
| 45 | K | A | -3.3845 | |
| 46 | F | A | 0.0000 | |
| 47 | E | A | -3.7609 | |
| 48 | K | A | -3.7774 | |
| 49 | D | A | -3.0032 | |
| 50 | T | A | -2.0042 | |
| 51 | G | A | -2.2214 | |
| 52 | I | A | -2.0411 | |
| 53 | K | A | -2.1904 | |
| 54 | V | A | 0.0000 | |
| 55 | T | A | -0.6075 | |
| 56 | V | A | -0.4607 | |
| 57 | E | A | -1.2523 | |
| 58 | H | A | -2.0326 | |
| 59 | P | A | -2.0186 | |
| 60 | D | A | -3.2318 | |
| 61 | K | A | -3.3354 | |
| 62 | L | A | 0.0000 | |
| 63 | E | A | 0.0000 | |
| 64 | E | A | -3.3081 | |
| 65 | K | A | -2.7017 | |
| 66 | F | A | 0.0000 | |
| 67 | P | A | -1.4138 | |
| 68 | Q | A | -1.8090 | |
| 69 | V | A | -1.0675 | |
| 70 | A | A | 0.0000 | |
| 71 | A | A | -0.5174 | |
| 72 | T | A | -0.5877 | |
| 73 | G | A | -0.7021 | |
| 74 | D | A | -1.1218 | |
| 75 | G | A | 0.0000 | |
| 76 | P | A | 0.0000 | |
| 77 | D | A | 0.0000 | |
| 78 | I | A | 0.0000 | |
| 79 | I | A | 0.0000 | |
| 80 | F | A | 0.0000 | |
| 81 | W | A | -0.2943 | |
| 82 | A | A | -0.5259 | |
| 83 | H | A | 0.0000 | |
| 84 | D | A | -1.1728 | |
| 85 | R | A | -1.9218 | |
| 86 | F | A | 0.0000 | |
| 87 | G | A | 0.0000 | |
| 88 | G | A | -1.2919 | |
| 89 | Y | A | 0.0000 | |
| 90 | A | A | -1.6383 | |
| 91 | Q | A | -1.6535 | |
| 92 | S | A | -1.0668 | |
| 93 | G | A | -1.1599 | |
| 94 | L | A | 0.0000 | |
| 95 | L | A | 0.0000 | |
| 96 | A | A | -1.2059 | |
| 97 | E | A | -2.3425 | |
| 98 | I | A | 0.0000 | |
| 99 | T | A | -1.4909 | |
| 100 | P | A | 0.0000 | |
| 101 | D | A | -2.9459 | |
| 102 | K | A | -3.2839 | |
| 103 | A | A | -2.2527 | |
| 104 | F | A | 0.0000 | |
| 105 | Q | A | -2.6143 | |
| 106 | D | A | -3.1797 | |
| 107 | K | A | -2.3301 | |
| 108 | L | A | 0.0000 | |
| 109 | Y | A | -0.8183 | |
| 110 | P | A | -0.7925 | |
| 111 | F | A | -0.3776 | |
| 112 | T | A | 0.0000 | |
| 113 | W | A | 0.0000 | |
| 114 | D | A | -1.4877 | |
| 115 | A | A | 0.0000 | |
| 116 | V | A | 0.0000 | |
| 117 | R | A | -2.2589 | |
| 118 | Y | A | -2.1570 | |
| 119 | N | A | -2.5777 | |
| 120 | G | A | -2.3334 | |
| 121 | K | A | -2.6177 | |
| 122 | L | A | 0.0000 | |
| 123 | I | A | 0.0000 | |
| 124 | A | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | P | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | A | A | 0.0000 | |
| 129 | V | A | 0.0000 | |
| 130 | E | A | -0.6972 | |
| 131 | A | A | 0.0000 | |
| 132 | L | A | 0.0000 | |
| 133 | S | A | 0.0000 | |
| 134 | L | A | 0.0000 | |
| 135 | I | A | 0.0000 | |
| 136 | Y | A | -0.5537 | |
| 137 | N | A | 0.0000 | |
| 138 | K | A | -2.1324 | |
| 139 | D | A | -2.3733 | |
| 140 | L | A | -1.4495 | |
| 141 | L | A | 0.0000 | |
| 142 | P | A | -1.5703 | |
| 143 | N | A | -1.9141 | |
| 144 | P | A | -1.2175 | |
| 145 | P | A | 0.0000 | |
| 146 | K | A | -2.1862 | |
| 147 | T | A | -1.9234 | |
| 148 | W | A | 0.0000 | |
| 149 | E | A | -1.8812 | |
| 150 | E | A | -1.7708 | |
| 151 | I | A | 0.0000 | |
| 152 | P | A | -1.5485 | |
| 153 | A | A | -1.3476 | |
| 154 | L | A | -1.4791 | |
| 155 | D | A | 0.0000 | |
| 156 | K | A | -3.2984 | |
| 157 | E | A | -3.3368 | |
| 158 | L | A | 0.0000 | |
| 159 | K | A | -3.0563 | |
| 160 | A | A | -2.4677 | |
| 161 | K | A | -2.9408 | |
| 162 | G | A | -2.4250 | |
| 163 | K | A | -2.6445 | |
| 164 | S | A | -1.8034 | |
| 165 | A | A | 0.0000 | |
| 166 | L | A | 0.0000 | |
| 167 | M | A | -0.1453 | |
| 168 | F | A | 0.0000 | |
| 169 | N | A | 0.0000 | |
| 170 | L | A | 0.0000 | |
| 171 | Q | A | -1.1829 | |
| 172 | E | A | -0.7166 | |
| 173 | P | A | 0.0000 | |
| 174 | Y | A | -0.0511 | |
| 175 | F | A | 0.0000 | |
| 176 | T | A | 0.0000 | |
| 177 | W | A | 0.0000 | |
| 178 | P | A | 0.0000 | |
| 179 | L | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | A | A | 0.0000 | |
| 182 | A | A | 0.0000 | |
| 183 | D | A | -1.7931 | |
| 184 | G | A | -0.9836 | |
| 185 | G | A | 0.0000 | |
| 186 | Y | A | -0.4135 | |
| 187 | A | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | K | A | -1.7635 | |
| 190 | Y | A | -1.6969 | |
| 191 | E | A | -3.0459 | |
| 192 | N | A | -2.8294 | |
| 193 | G | A | -2.8278 | |
| 194 | K | A | -3.0829 | |
| 195 | Y | A | -2.0960 | |
| 196 | D | A | -2.5816 | |
| 197 | I | A | -1.4945 | |
| 198 | K | A | -2.1621 | |
| 199 | D | A | -1.9116 | |
| 200 | V | A | 0.0000 | |
| 201 | G | A | 0.0000 | |
| 202 | V | A | 0.0000 | |
| 203 | D | A | -2.7106 | |
| 204 | N | A | -1.6232 | |
| 205 | A | A | -1.0147 | |
| 206 | G | A | 0.0000 | |
| 207 | A | A | 0.0000 | |
| 208 | K | A | -1.7436 | |
| 209 | A | A | -0.9802 | |
| 210 | G | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | T | A | -0.4437 | |
| 213 | F | A | -0.3727 | |
| 214 | L | A | 0.0000 | |
| 215 | V | A | -0.9221 | |
| 216 | D | A | -1.7203 | |
| 217 | L | A | 0.0000 | |
| 218 | I | A | -2.2390 | |
| 219 | K | A | -2.9383 | |
| 220 | N | A | -2.4977 | |
| 221 | K | A | -3.0748 | |
| 222 | H | A | -2.0887 | |
| 223 | M | A | 0.0000 | |
| 224 | N | A | -2.5224 | |
| 225 | A | A | -2.0035 | |
| 226 | D | A | -2.1665 | |
| 227 | T | A | 0.0000 | |
| 228 | D | A | -0.9181 | |
| 229 | Y | A | 0.0006 | |
| 230 | S | A | 0.3359 | |
| 231 | I | A | 0.8554 | |
| 232 | A | A | 0.0000 | |
| 233 | E | A | -0.3901 | |
| 234 | A | A | -0.5864 | |
| 235 | A | A | 0.0000 | |
| 236 | F | A | 0.0000 | |
| 237 | N | A | -2.1429 | |
| 238 | K | A | -2.6064 | |
| 239 | G | A | -2.3092 | |
| 240 | E | A | -2.5924 | |
| 241 | T | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | M | A | 0.0000 | |
| 244 | T | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | N | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | P | A | -0.0767 | |
| 249 | W | A | -0.0465 | |
| 250 | A | A | 0.0000 | |
| 251 | W | A | 0.0000 | |
| 252 | S | A | -1.1726 | |
| 253 | N | A | -1.9074 | |
| 254 | I | A | 0.0000 | |
| 255 | D | A | -2.5326 | |
| 256 | T | A | -1.7533 | |
| 257 | S | A | -2.1237 | |
| 258 | K | A | -2.7290 | |
| 259 | V | A | -2.2548 | |
| 260 | N | A | -2.1204 | |
| 261 | Y | A | -1.3137 | |
| 262 | G | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | T | A | -0.2886 | |
| 265 | V | A | -0.2453 | |
| 266 | L | A | 0.0000 | |
| 267 | P | A | 0.0000 | |
| 268 | T | A | -1.4899 | |
| 269 | F | A | 0.0000 | |
| 270 | K | A | -2.4678 | |
| 271 | G | A | -2.0283 | |
| 272 | Q | A | -1.8899 | |
| 273 | P | A | -1.3426 | |
| 274 | S | A | 0.0000 | |
| 275 | K | A | -1.2454 | |
| 276 | P | A | 0.0000 | |
| 277 | F | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | G | A | -0.3834 | |
| 280 | V | A | 0.0000 | |
| 281 | L | A | 0.0000 | |
| 282 | S | A | 0.0000 | |
| 283 | A | A | 0.0000 | |
| 284 | G | A | 0.0000 | |
| 285 | I | A | 0.0000 | |
| 286 | N | A | 0.0000 | |
| 287 | A | A | -0.5349 | |
| 288 | A | A | -0.3921 | |
| 289 | S | A | 0.0000 | |
| 290 | P | A | -1.4465 | |
| 291 | N | A | 0.0000 | |
| 292 | K | A | -2.1726 | |
| 293 | E | A | -2.5179 | |
| 294 | L | A | -1.6466 | |
| 295 | A | A | 0.0000 | |
| 296 | K | A | -2.1667 | |
| 297 | E | A | -1.9883 | |
| 298 | F | A | 0.0000 | |
| 299 | L | A | 0.0000 | |
| 300 | E | A | 0.0000 | |
| 301 | N | A | -1.5721 | |
| 302 | Y | A | -1.2967 | |
| 303 | L | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | T | A | -1.7576 | |
| 306 | D | A | -2.6077 | |
| 307 | E | A | -2.7146 | |
| 308 | G | A | 0.0000 | |
| 309 | L | A | 0.0000 | |
| 310 | E | A | -2.5982 | |
| 311 | A | A | -2.4118 | |
| 312 | V | A | 0.0000 | |
| 313 | N | A | -2.0181 | |
| 314 | K | A | -2.6728 | |
| 315 | D | A | -2.3580 | |
| 316 | K | A | -2.1470 | |
| 317 | P | A | -1.2493 | |
| 318 | L | A | -0.7244 | |
| 319 | G | A | 0.0000 | |
| 320 | A | A | 0.0000 | |
| 321 | V | A | 0.0000 | |
| 322 | A | A | 0.0000 | |
| 323 | L | A | 0.0000 | |
| 324 | K | A | -1.8032 | |
| 325 | S | A | -1.7479 | |
| 326 | Y | A | 0.0000 | |
| 327 | E | A | 0.0000 | |
| 328 | E | A | -2.9533 | |
| 329 | E | A | -3.2038 | |
| 330 | L | A | -1.9184 | |
| 331 | V | A | -1.6618 | |
| 332 | K | A | -2.5466 | |
| 333 | D | A | -1.5122 | |
| 334 | P | A | -0.9656 | |
| 335 | R | A | -0.9207 | |
| 336 | I | A | 0.0000 | |
| 337 | A | A | -0.8883 | |
| 338 | A | A | 0.0000 | |
| 339 | T | A | 0.0000 | |
| 340 | M | A | -1.0262 | |
| 341 | E | A | -1.7440 | |
| 342 | N | A | 0.0000 | |
| 343 | A | A | 0.0000 | |
| 344 | Q | A | -2.0395 | |
| 345 | K | A | -1.9435 | |
| 346 | G | A | -1.3573 | |
| 347 | E | A | -0.6351 | |
| 348 | I | A | -0.3117 | |
| 349 | M | A | 0.0552 | |
| 350 | P | A | 0.0000 | |
| 351 | N | A | 0.0000 | |
| 352 | I | A | -0.6057 | |
| 353 | P | A | -0.7629 | |
| 354 | Q | A | -0.2765 | |
| 355 | M | A | 0.0000 | |
| 356 | S | A | -0.0946 | |
| 357 | A | A | -0.3275 | |
| 358 | F | A | 0.0000 | |
| 359 | W | A | 0.2538 | |
| 360 | Y | A | 0.3344 | |
| 361 | A | A | 0.0000 | |
| 362 | V | A | 0.0000 | |
| 363 | R | A | -0.3350 | |
| 364 | T | A | -0.4771 | |
| 365 | A | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | I | A | -0.6555 | |
| 368 | N | A | -1.5222 | |
| 369 | A | A | 0.0000 | |
| 370 | A | A | 0.0000 | |
| 371 | S | A | -1.4244 | |
| 372 | G | A | -1.4865 | |
| 373 | R | A | -2.5971 | |
| 374 | Q | A | -2.2135 | |
| 375 | T | A | -1.8291 | |
| 376 | V | A | -2.1244 | |
| 377 | D | A | -3.5082 | |
| 378 | E | A | -3.6766 | |
| 379 | A | A | 0.0000 | |
| 380 | L | A | 0.0000 | |
| 381 | K | A | -3.9136 | |
| 382 | D | A | -3.1873 | |
| 383 | A | A | 0.0000 | |
| 384 | Q | A | -1.8386 | |
| 385 | T | A | -1.5712 | |
| 386 | N | A | -1.3767 | |
| 387 | S | A | 0.0000 | |
| 388 | D | A | -0.7694 | |
| 389 | L | A | 0.3329 | |
| 390 | E | A | -0.5788 | |
| 391 | V | A | 0.2056 | |
| 392 | L | A | 1.3892 | |
| 393 | F | A | 0.7627 | |
| 394 | Q | A | -0.1034 | |
| 395 | G | A | 0.4782 | |
| 396 | P | A | 0.1982 | |
| 397 | L | A | 0.9666 | |
| 398 | G | A | 0.0000 | |
| 399 | S | A | -0.9736 | |
| 400 | T | A | -1.3035 | |
| 401 | R | A | -2.3846 | mutated: MR401A |
| 402 | Q | A | -3.0423 | |
| 403 | R | A | -3.2430 | |
| 404 | N | A | -2.6292 | |
| 405 | P | A | -1.9403 | |
| 406 | L | A | 0.0000 | |
| 407 | N | A | -2.3037 | |
| 408 | N | A | -1.9748 | |
| 409 | I | A | 0.0000 | |
| 410 | P | A | -0.4906 | |
| 411 | T | A | -0.4261 | |
| 412 | L | A | 0.0000 | |
| 413 | G | A | -0.3560 | |
| 414 | G | A | 0.3714 | |
| 415 | P | A | 0.7028 | |
| 416 | S | A | 0.5072 | |
| 417 | A | A | 0.5752 | |
| 418 | P | A | 1.2268 | |
| 419 | I | A | 2.9756 | |
| 420 | L | A | 2.7633 | |
| 421 | S | A | 2.2501 | |
| 422 | Y | A | 2.9782 | |
| 423 | L | A | 3.0208 | |
| 424 | T | A | 0.0000 | |
| 425 | A | A | 0.0000 | |
| 426 | I | A | 2.2945 | |
| 427 | N | A | 0.9514 | |
| 428 | Y | A | 0.0000 | |
| 429 | T | A | 1.7190 | |
| 430 | L | A | 1.7697 | |
| 431 | N | A | -0.0388 | |
| 432 | S | A | 0.0000 | |
| 433 | R | A | -1.8509 | |
| 434 | K | A | -2.7386 | |
| 435 | L | A | 0.0000 | |
| 436 | L | A | 0.0000 | |
| 437 | R | A | -2.8282 | |
| 438 | E | A | -3.3614 | |
| 439 | G | A | 0.0000 | |
| 440 | Y | A | 0.0000 | |
| 441 | E | A | -3.6933 | |
| 442 | K | A | -3.4071 | |
| 443 | F | A | -1.8607 | |
| 444 | Q | A | -2.2576 | |
| 445 | G | A | -1.6038 | |
| 446 | S | A | -1.0559 | |
| 447 | V | A | 0.0000 | |
| 448 | F | A | 0.0000 | |
| 449 | K | A | 0.0000 | |
| 450 | V | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | L | A | 0.5957 | |
| 453 | L | A | 1.0854 | |
| 454 | D | A | -0.3226 | |
| 455 | Q | A | -0.3586 | |
| 456 | W | A | -0.0468 | |
| 457 | M | A | 0.0000 | |
| 458 | V | A | 0.0000 | |
| 459 | I | A | 0.0000 | |
| 460 | V | A | 0.0000 | |
| 461 | N | A | 0.0000 | |
| 462 | G | A | 0.0000 | |
| 463 | P | A | -1.3776 | |
| 464 | R | A | -2.3349 | |
| 465 | M | A | 0.0000 | |
| 466 | L | A | 0.0000 | |
| 467 | D | A | -1.8403 | |
| 468 | E | A | -1.8100 | |
| 469 | I | A | 0.0000 | |
| 470 | R | A | -2.0202 | |
| 471 | K | A | -2.7261 | |
| 472 | R | A | -2.0816 | |
| 473 | P | A | -1.7334 | |
| 474 | D | A | -1.7517 | |
| 475 | E | A | -2.5239 | |
| 476 | E | A | -2.3293 | |
| 477 | L | A | 0.0000 | |
| 478 | S | A | 0.0000 | |
| 479 | F | A | -0.2693 | |
| 480 | M | A | -0.1781 | |
| 481 | E | A | -0.1780 | |
| 482 | S | A | 0.0000 | |
| 483 | T | A | 0.2888 | |
| 484 | E | A | 0.0000 | |
| 485 | D | A | 0.1037 | |
| 486 | F | A | 1.4087 | |
| 487 | L | A | 1.4626 | |
| 488 | Q | A | 0.0000 | |
| 489 | I | A | 0.0000 | |
| 490 | R | A | -1.0222 | |
| 491 | Y | A | -0.0784 | |
| 492 | I | A | 0.0000 | |
| 493 | L | A | 0.0000 | |
| 494 | G | A | -1.0763 | |
| 495 | P | A | -1.7057 | |
| 496 | E | A | -2.4551 | |
| 497 | S | A | 0.0000 | |
| 498 | H | A | 0.0000 | |
| 499 | D | A | -2.7147 | |
| 500 | D | A | -2.0758 | |
| 501 | P | A | -1.2261 | |
| 502 | Y | A | 0.0000 | |
| 503 | H | A | 0.0000 | |
| 504 | I | A | -0.7467 | |
| 505 | D | A | -1.9096 | |
| 506 | L | A | 0.0000 | |
| 507 | I | A | -1.4446 | |
| 508 | R | A | -2.6978 | |
| 509 | D | A | -2.4839 | |
| 510 | K | A | -2.1209 | |
| 511 | L | A | 0.0000 | |
| 512 | T | A | -1.7614 | |
| 513 | R | A | -2.4231 | |
| 514 | S | A | -1.2490 | |
| 515 | L | A | 0.0000 | |
| 516 | P | A | -1.0432 | |
| 517 | A | A | -0.7431 | |
| 518 | V | A | 0.0000 | |
| 519 | L | A | 0.0000 | |
| 520 | P | A | -1.2747 | |
| 521 | E | A | -2.0221 | |
| 522 | V | A | 0.0000 | |
| 523 | V | A | 0.0000 | |
| 524 | D | A | -2.4887 | |
| 525 | E | A | 0.0000 | |
| 526 | I | A | 0.0000 | |
| 527 | R | A | -2.6458 | |
| 528 | S | A | -1.7593 | |
| 529 | A | A | 0.0000 | |
| 530 | V | A | 0.0000 | |
| 531 | P | A | -1.6432 | |
| 532 | E | A | -2.1039 | |
| 533 | Y | A | -1.0977 | |
| 534 | I | A | 0.0000 | |
| 535 | P | A | -1.2753 | |
| 536 | T | A | -2.1972 | |
| 537 | Q | A | -2.7327 | |
| 538 | G | A | -2.9145 | |
| 539 | D | A | -3.8465 | |
| 540 | E | A | -3.3709 | |
| 541 | W | A | -1.7837 | |
| 542 | T | A | -1.0638 | |
| 543 | T | A | -0.8140 | |
| 544 | V | A | 0.0000 | |
| 545 | D | A | -2.2990 | |
| 546 | V | A | 0.0000 | |
| 547 | I | A | -0.9600 | |
| 548 | T | A | -0.9229 | |
| 549 | T | A | 0.0000 | |
| 550 | M | A | 0.0000 | |
| 551 | Q | A | -0.7527 | |
| 552 | K | A | -1.2659 | |
| 553 | I | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | A | A | 0.0000 | |
| 556 | R | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | S | A | 0.0000 | |
| 559 | N | A | 0.0000 | |
| 560 | R | A | -0.6098 | |
| 561 | V | A | 0.0000 | |
| 562 | F | A | 0.0000 | |
| 563 | V | A | 0.0000 | |
| 564 | G | A | 0.0147 | |
| 565 | L | A | 0.6165 | |
| 566 | P | A | -0.0934 | |
| 567 | I | A | 0.0000 | |
| 568 | C | A | 0.0000 | |
| 569 | R | A | -2.2284 | |
| 570 | N | A | -2.7154 | |
| 571 | K | A | -3.7960 | |
| 572 | E | A | -3.8341 | |
| 573 | Y | A | 0.0000 | |
| 574 | L | A | 0.0000 | |
| 575 | D | A | -3.2370 | |
| 576 | L | A | 0.0000 | |
| 577 | A | A | 0.0000 | |
| 578 | I | A | -0.9392 | |
| 579 | K | A | -1.2407 | |
| 580 | V | A | 0.0000 | |
| 581 | T | A | 0.0000 | |
| 582 | T | A | 0.5969 | |
| 583 | D | A | 0.0000 | |
| 584 | I | A | 0.0000 | |
| 585 | V | A | 2.9365 | |
| 586 | F | A | 2.8943 | |
| 587 | D | A | 0.0000 | |
| 588 | G | A | 0.0000 | |
| 589 | F | A | 3.0653 | |
| 590 | L | A | 2.1085 | |
| 591 | L | A | 0.0000 | |
| 592 | N | A | 0.8742 | |
| 593 | L | A | 1.1975 | |
| 594 | V | A | 0.7906 | |
| 595 | P | A | 0.0889 | |
| 596 | S | A | 0.0559 | |
| 597 | A | A | 0.2685 | |
| 598 | L | A | 0.7180 | |
| 599 | K | A | 0.2896 | |
| 600 | S | A | 0.1476 | |
| 601 | T | A | 0.4676 | |
| 602 | V | A | 0.0000 | |
| 603 | A | A | 0.0000 | |
| 604 | A | A | 0.3618 | |
| 605 | W | A | 1.0533 | |
| 606 | M | A | 0.6107 | |
| 607 | S | A | 0.0000 | |
| 608 | N | A | -0.7033 | |
| 609 | V | A | 0.0000 | |
| 610 | K | A | -2.1986 | |
| 611 | R | A | -3.1754 | |
| 612 | T | A | 0.0000 | |
| 613 | V | A | 0.0000 | |
| 614 | R | A | -3.7008 | |
| 615 | R | A | -3.6240 | |
| 616 | A | A | 0.0000 | |
| 617 | L | A | -1.6745 | |
| 618 | P | A | -1.5073 | |
| 619 | H | A | -1.4181 | |
| 620 | L | A | 0.0000 | |
| 621 | K | A | -1.9952 | |
| 622 | P | A | -1.9224 | |
| 623 | A | A | -1.7963 | |
| 624 | I | A | 0.0000 | |
| 625 | D | A | -3.3467 | |
| 626 | E | A | -3.3430 | |
| 627 | R | A | 0.0000 | |
| 628 | K | A | -2.5124 | |
| 629 | A | A | -2.4755 | |
| 630 | K | A | -2.6259 | |
| 631 | I | A | 0.0000 | |
| 632 | Q | A | -2.2294 | |
| 633 | E | A | -2.4103 | |
| 634 | Y | A | -1.3608 | |
| 635 | G | A | -1.3549 | |
| 636 | L | A | -0.7030 | |
| 637 | G | A | -1.3293 | |
| 638 | E | A | -2.7744 | |
| 639 | D | A | -2.7768 | |
| 640 | W | A | 0.0000 | |
| 641 | P | A | -0.9557 | |
| 642 | G | A | -1.0300 | |
| 643 | K | A | -1.4117 | |
| 644 | P | A | -0.5401 | |
| 645 | S | A | -0.4584 | |
| 646 | D | A | 0.0000 | |
| 647 | M | A | 0.0000 | |
| 648 | L | A | 0.0000 | |
| 649 | Q | A | 0.0000 | |
| 650 | W | A | 0.0000 | |
| 651 | V | A | 0.0000 | |
| 652 | L | A | 0.0000 | |
| 653 | E | A | -0.5315 | |
| 654 | Q | A | -0.4900 | |
| 655 | A | A | 0.0000 | |
| 656 | I | A | -0.0005 | |
| 657 | P | A | -0.4664 | |
| 658 | R | A | -1.2711 | |
| 659 | G | A | -0.7040 | |
| 660 | V | A | -0.5437 | |
| 661 | S | A | -0.4436 | |
| 662 | D | A | -1.0525 | |
| 663 | E | A | -1.4751 | |
| 664 | S | A | -0.8108 | |
| 665 | I | A | 0.0000 | |
| 666 | A | A | 0.0000 | |
| 667 | A | A | 0.0000 | |
| 668 | R | A | 0.0000 | |
| 669 | I | A | 0.0000 | |
| 670 | L | A | 0.0000 | |
| 671 | L | A | 0.2436 | |
| 672 | V | A | 0.0000 | |
| 673 | N | A | 0.0000 | |
| 674 | F | A | 0.3116 | |
| 675 | A | A | 0.1393 | |
| 676 | A | A | -0.0162 | |
| 677 | I | A | 0.0000 | |
| 678 | H | A | -0.0672 | |
| 679 | T | A | -0.0097 | |
| 680 | S | A | 0.0000 | |
| 681 | S | A | 0.0000 | |
| 682 | T | A | 0.0000 | |
| 683 | S | A | 0.0000 | |
| 684 | M | A | 0.0000 | |
| 685 | S | A | 0.0000 | |
| 686 | H | A | 0.0000 | |
| 687 | V | A | 0.0000 | |
| 688 | L | A | 0.0000 | |
| 689 | Y | A | 0.0000 | |
| 690 | D | A | 0.0000 | |
| 691 | L | A | 0.0000 | |
| 692 | A | A | 0.0000 | |
| 693 | A | A | -0.6498 | |
| 694 | S | A | -0.7128 | |
| 695 | P | A | -1.3612 | |
| 696 | E | A | -2.1318 | |
| 697 | Y | A | -1.1811 | |
| 698 | I | A | 0.0000 | |
| 699 | E | A | -2.6431 | |
| 700 | P | A | -1.8669 | |
| 701 | L | A | 0.0000 | |
| 702 | R | A | -2.1244 | |
| 703 | E | A | -2.8762 | |
| 704 | E | A | -2.1218 | |
| 705 | V | A | 0.0000 | |
| 706 | E | A | -1.9675 | |
| 707 | A | A | -1.1657 | |
| 708 | I | A | -1.0313 | |
| 709 | T | A | -0.7310 | |
| 710 | A | A | -0.4097 | |
| 711 | A | A | -0.3390 | |
| 712 | D | A | -0.8333 | |
| 713 | G | A | -0.5786 | |
| 714 | W | A | -0.3282 | |
| 715 | T | A | -0.6806 | |
| 716 | K | A | -1.3930 | |
| 717 | A | A | -1.0458 | |
| 718 | A | A | 0.0000 | |
| 719 | M | A | 0.0000 | |
| 720 | G | A | -1.5378 | |
| 721 | K | A | -2.2565 | |
| 722 | M | A | 0.0000 | |
| 723 | R | A | -1.9210 | |
| 724 | K | A | -1.1626 | |
| 725 | L | A | 0.0000 | |
| 726 | D | A | 0.0000 | |
| 727 | S | A | 0.0000 | |
| 728 | F | A | 0.0000 | |
| 729 | L | A | 0.0000 | |
| 730 | K | A | 0.0000 | |
| 731 | E | A | 0.0000 | |
| 732 | S | A | 0.0000 | |
| 733 | Q | A | 0.0000 | |
| 734 | R | A | 0.0000 | |
| 735 | F | A | 0.2990 | |
| 736 | N | A | 0.0000 | |
| 737 | G | A | 0.2796 | |
| 738 | I | A | 0.3948 | |
| 739 | G | A | 0.2282 | |
| 740 | L | A | 0.0000 | |
| 741 | T | A | -0.1211 | |
| 742 | S | A | -0.0856 | |
| 743 | V | A | 0.0000 | |
| 744 | G | A | -0.0384 | |
| 745 | R | A | 0.0000 | |
| 746 | K | A | -0.7800 | |
| 747 | A | A | 0.0000 | |
| 748 | L | A | -1.6278 | |
| 749 | K | A | -2.9019 | |
| 750 | D | A | -2.5901 | |
| 751 | V | A | 0.0000 | |
| 752 | T | A | -0.8427 | |
| 753 | L | A | 0.0000 | |
| 754 | H | A | -1.2463 | |
| 755 | D | A | -0.8484 | |
| 756 | G | A | -0.7006 | |
| 757 | T | A | -0.4727 | |
| 758 | M | A | -0.5817 | |
| 759 | L | A | 0.0000 | |
| 760 | P | A | -1.2748 | |
| 761 | A | A | -1.4485 | |
| 762 | G | A | -0.9182 | |
| 763 | T | A | 0.0000 | |
| 764 | L | A | 0.0000 | |
| 765 | V | A | 0.0000 | |
| 766 | V | A | 0.0000 | |
| 767 | A | A | 0.0000 | |
| 768 | N | A | 0.0000 | |
| 769 | S | A | 0.0000 | |
| 770 | F | A | 0.0000 | |
| 771 | A | A | 0.0000 | |
| 772 | T | A | 0.0000 | |
| 773 | H | A | 0.0000 | |
| 774 | R | A | -1.5301 | |
| 775 | D | A | -2.1820 | |
| 776 | D | A | -3.3927 | |
| 777 | E | A | -3.1370 | |
| 778 | H | A | -2.0818 | |
| 779 | Y | A | 0.0000 | |
| 780 | P | A | -2.3602 | |
| 781 | N | A | -2.7724 | |
| 782 | A | A | 0.0000 | |
| 783 | A | A | -1.5240 | |
| 784 | D | A | -2.0294 | |
| 785 | F | A | -0.6439 | |
| 786 | D | A | -0.6784 | |
| 787 | P | A | 0.0000 | |
| 788 | F | A | -0.3669 | |
| 789 | R | A | 0.0000 | |
| 790 | F | A | 0.0000 | |
| 791 | A | A | 0.0000 | |
| 792 | R | A | -2.3507 | |
| 793 | I | A | -1.4399 | |
| 794 | R | A | -2.5147 | |
| 795 | E | A | -3.0974 | |
| 796 | G | A | -2.4939 | |
| 797 | E | A | -2.6958 | |
| 798 | G | A | -2.2275 | |
| 799 | E | A | -2.4776 | |
| 800 | G | A | -2.1880 | |
| 801 | T | A | -1.3436 | |
| 802 | K | A | -2.0780 | |
| 803 | H | A | -1.4378 | |
| 804 | Q | A | -1.0302 | |
| 805 | F | A | 0.0000 | |
| 806 | V | A | 0.0734 | |
| 807 | A | A | -0.4834 | |
| 808 | T | A | -0.3556 | |
| 809 | S | A | -0.4902 | |
| 810 | T | A | -0.6310 | |
| 811 | S | A | -0.4575 | |
| 812 | Y | A | 0.0000 | |
| 813 | V | A | 0.0000 | |
| 814 | P | A | 0.1057 | |
| 815 | F | A | 0.1632 | |
| 816 | G | A | -0.3678 | |
| 817 | V | A | 0.0000 | |
| 818 | G | A | -1.6181 | |
| 819 | R | A | -2.2993 | |
| 820 | H | A | -1.2063 | |
| 821 | A | A | -0.6600 | |
| 822 | C | A | -0.1769 | |
| 823 | P | A | -0.9501 | |
| 824 | G | A | -0.3148 | |
| 825 | R | A | 0.0392 | |
| 826 | F | A | 0.3890 | |
| 827 | F | A | 0.0000 | |
| 828 | A | A | 0.1743 | |
| 829 | A | A | 0.0000 | |
| 830 | N | A | -0.1903 | |
| 831 | E | A | 0.0000 | |
| 832 | L | A | 0.0000 | |
| 833 | K | A | 0.0000 | |
| 834 | A | A | 0.0000 | |
| 835 | M | A | 0.0000 | |
| 836 | L | A | 0.0000 | |
| 837 | A | A | 0.0000 | |
| 838 | Y | A | -0.3444 | |
| 839 | I | A | 0.0000 | |
| 840 | V | A | 0.0000 | |
| 841 | V | A | -1.1508 | |
| 842 | N | A | -1.1281 | |
| 843 | Y | A | 0.0000 | |
| 844 | D | A | -1.6193 | |
| 845 | L | A | 0.0000 | |
| 846 | K | A | -1.0493 | |
| 847 | V | A | 0.0000 | |
| 848 | A | A | -0.9386 | |
| 849 | G | A | -0.9380 | |
| 850 | G | A | -1.0284 | |
| 851 | G | A | -0.9119 | |
| 852 | A | A | -0.4743 | |
| 853 | R | A | -0.6493 | |
| 854 | P | A | -0.7552 | |
| 855 | T | A | -0.2867 | |
| 856 | N | A | 0.4082 | |
| 857 | V | A | 1.3636 | |
| 858 | Y | A | 1.7337 | |
| 859 | F | A | 2.5181 | |
| 860 | A | A | 1.2067 | |
| 861 | N | A | 0.4162 | |
| 862 | T | A | 0.9016 | |
| 863 | V | A | 0.0000 | |
| 864 | L | A | 0.9485 | |
| 865 | P | A | 0.0000 | |
| 866 | N | A | -1.0509 | |
| 867 | Q | A | -2.1749 | |
| 868 | K | A | -2.8117 | |
| 869 | G | A | 0.0000 | |
| 870 | Q | A | -1.9537 | |
| 871 | V | A | 0.0000 | |
| 872 | M | A | -0.7763 | |
| 873 | F | A | 0.0000 | |
| 874 | R | A | -2.8496 | |
| 875 | K | A | -3.5718 | |
| 876 | R | A | -2.0921 | |
| 877 | Q | A | -1.4986 | |
| 878 | S | A | -0.0865 | |
| 879 | V | A | 1.2184 | |
| 880 | P | A | 0.3101 | |
| 881 | S | A | 0.0297 | |
| 882 | S | A | -0.0819 | |
| 883 | A | A | -0.1464 |
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 | -0.5188 | 5.9805 | View | CSV | PDB |
| 4.5 | -0.5877 | 5.9457 | View | CSV | PDB |
| 5.0 | -0.6714 | 5.9094 | View | CSV | PDB |
| 5.5 | -0.7554 | 5.8727 | View | CSV | PDB |
| 6.0 | -0.823 | 5.8358 | View | CSV | PDB |
| 6.5 | -0.8612 | 5.7991 | View | CSV | PDB |
| 7.0 | -0.8678 | 5.7629 | View | CSV | PDB |
| 7.5 | -0.8523 | 5.7285 | View | CSV | PDB |
| 8.0 | -0.8242 | 5.6986 | View | CSV | PDB |
| 8.5 | -0.7867 | 5.6771 | View | CSV | PDB |
| 9.0 | -0.7389 | 5.6656 | 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