| Chain sequence(s) |
A: MAEPRQEFEVMEDHAGTYGLGDRKDQGGYTMHQDQEGDTDAGLKESPLQTPTEDGSEEPGSETSDAKSTPTAEDVTAPLVDEGAPGKQAAAQPHTEIPEGTTAEEAGIGDTPSLEDEAAGHVTQEPESGKVVQEGFLREPGPPGLSHQLMSGMPGAPLLPEGPREATRQPSGTGPEDTEGGRHAPELLKHQLLGDLHQEGPPLKGAGGKERPGSKEEVDEDRDVDESSPQDSPPSKASPAQDGRPPQTAAREATSIPGFPAEGAIPLPVDFLSKVSTEIPASEPDGPSVGRAKGQDAPLEFTFHVEITPNVQKEQAHSEEHLGRAAFPGAPGEGPEARGPSLGEDTKEADLPEPSEKQPAAAPRGKPVSRVPQLKARMVSKSKDGTGSDDKKAKTSTRSSAKTLKNRPCLSPKHPTPGSSDPLIQPSSPAVCPEPPSSPKYVSSVTSRTGSSGAKEMKLKGADGKTKIATPRGAAPPGQKGQANATRIPAKTPPAPKTPPSSGEPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL
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 partially or entirely disordered. Average 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 (00:07:00)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1a55907e8362b5c/tmp/folded.pdb (00:07:00)
[INFO] Main: Simulation completed successfully. (00:12:55)
|
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 | 0.6372 | |
| 2 | A | A | -0.5110 | |
| 3 | E | A | -2.3526 | |
| 4 | P | A | -2.5470 | |
| 5 | R | A | -3.3513 | |
| 6 | Q | A | -3.0118 | |
| 7 | E | A | -2.2664 | |
| 8 | F | A | 0.3011 | |
| 9 | E | A | -0.5641 | |
| 10 | V | A | 0.9541 | |
| 11 | M | A | 0.1640 | |
| 12 | E | A | -2.0957 | |
| 13 | D | A | -2.6468 | |
| 14 | H | A | -2.2205 | |
| 15 | A | A | -1.3270 | |
| 16 | G | A | -0.4407 | |
| 17 | T | A | 0.2099 | |
| 18 | Y | A | 1.1873 | |
| 19 | G | A | 0.8669 | |
| 20 | L | A | 1.0084 | |
| 21 | G | A | -0.9435 | |
| 22 | D | A | -2.9302 | |
| 23 | R | A | -4.0383 | |
| 24 | K | A | -4.1868 | |
| 25 | D | A | -3.7549 | |
| 26 | Q | A | -2.8593 | |
| 27 | G | A | -1.7918 | |
| 28 | G | A | -0.3310 | |
| 29 | Y | A | 1.2043 | |
| 30 | T | A | 0.9039 | |
| 31 | M | A | 0.6038 | |
| 32 | H | A | -1.5225 | |
| 33 | Q | A | -2.6286 | |
| 34 | D | A | -3.6364 | |
| 35 | Q | A | -3.4138 | |
| 36 | E | A | -3.3756 | |
| 37 | G | A | -2.6031 | |
| 38 | D | A | -3.0017 | |
| 39 | T | A | -2.1467 | |
| 40 | D | A | -2.3946 | |
| 41 | A | A | -0.7402 | |
| 42 | G | A | -0.4047 | |
| 43 | L | A | 0.1710 | |
| 44 | K | A | -1.9591 | |
| 45 | E | A | -2.5322 | |
| 46 | S | A | -1.4390 | |
| 47 | P | A | -0.2733 | |
| 48 | L | A | 0.7160 | |
| 49 | Q | A | -0.4796 | |
| 50 | T | A | -0.4613 | |
| 51 | P | A | -0.9181 | |
| 52 | T | A | -1.5372 | |
| 53 | E | A | -2.9842 | |
| 54 | D | A | -3.0725 | |
| 55 | G | A | -2.2146 | |
| 56 | S | A | -2.0765 | |
| 57 | E | A | -2.9455 | |
| 58 | E | A | -2.9690 | |
| 59 | P | A | -1.9120 | |
| 60 | G | A | -1.4314 | |
| 61 | S | A | -1.3866 | |
| 62 | E | A | -2.0920 | |
| 63 | T | A | -1.4829 | |
| 64 | S | A | -1.4722 | |
| 65 | D | A | -2.2049 | |
| 66 | A | A | -1.7023 | |
| 67 | K | A | -2.1516 | |
| 68 | S | A | -1.2527 | |
| 69 | T | A | -0.6895 | |
| 70 | P | A | -0.3648 | |
| 71 | T | A | -0.6056 | |
| 72 | A | A | -1.3272 | |
| 73 | E | A | -2.2648 | |
| 74 | D | A | -1.6994 | |
| 75 | V | A | 0.4203 | |
| 76 | T | A | 0.3636 | |
| 77 | A | A | 0.6047 | |
| 78 | P | A | 0.8512 | |
| 79 | L | A | 1.8805 | |
| 80 | V | A | 1.0847 | |
| 81 | D | A | -1.4145 | |
| 82 | E | A | -2.5174 | |
| 83 | G | A | -1.7086 | |
| 84 | A | A | -0.7858 | |
| 85 | P | A | -0.8908 | |
| 86 | G | A | -1.6400 | |
| 87 | K | A | -2.5430 | |
| 88 | Q | A | -2.0592 | |
| 89 | A | A | -0.9365 | |
| 90 | A | A | -0.3977 | |
| 91 | A | A | -0.6160 | |
| 92 | Q | A | -1.4945 | |
| 93 | P | A | -1.3828 | |
| 94 | H | A | -1.8028 | |
| 95 | T | A | -1.1875 | |
| 96 | E | A | -1.1640 | |
| 97 | I | A | 0.5624 | |
| 98 | P | A | -0.5679 | |
| 99 | E | A | -1.7127 | |
| 100 | G | A | -1.4501 | |
| 101 | T | A | -0.7619 | |
| 102 | T | A | -0.6084 | |
| 103 | A | A | -1.3890 | |
| 104 | E | A | -2.6715 | |
| 105 | E | A | -2.7668 | |
| 106 | A | A | -1.0021 | |
| 107 | G | A | -0.0041 | |
| 108 | I | A | 1.1863 | |
| 109 | G | A | -0.5173 | |
| 110 | D | A | -1.6903 | |
| 111 | T | A | -1.0329 | |
| 112 | P | A | -0.4956 | |
| 113 | S | A | -0.2880 | |
| 114 | L | A | 0.0182 | |
| 115 | E | A | -2.3872 | |
| 116 | D | A | -3.3746 | |
| 117 | E | A | -3.1554 | |
| 118 | A | A | -1.6464 | |
| 119 | A | A | -0.9039 | |
| 120 | G | A | -0.5536 | |
| 121 | H | A | -0.4097 | |
| 122 | V | A | 0.8793 | |
| 123 | T | A | -0.3691 | |
| 124 | Q | A | -1.7558 | |
| 125 | E | A | -2.9269 | |
| 126 | P | A | -2.4920 | |
| 127 | E | A | -2.5375 | |
| 128 | S | A | -1.7850 | |
| 129 | G | A | -1.5007 | |
| 130 | K | A | -0.8739 | |
| 131 | V | A | 1.3987 | |
| 132 | V | A | 1.1632 | |
| 133 | Q | A | -0.9204 | |
| 134 | E | A | -1.8129 | |
| 135 | G | A | -0.1240 | |
| 136 | F | A | 1.7303 | |
| 137 | L | A | 1.1399 | |
| 138 | R | A | -1.6088 | |
| 139 | E | A | -2.6594 | |
| 140 | P | A | -1.9515 | |
| 141 | G | A | -1.2255 | |
| 142 | P | A | -0.9927 | |
| 143 | P | A | -0.3466 | |
| 144 | G | A | 0.1539 | |
| 145 | L | A | 0.9382 | |
| 146 | S | A | -0.3115 | |
| 147 | H | A | -1.1318 | |
| 148 | Q | A | -0.8246 | |
| 149 | L | A | 1.2402 | |
| 150 | M | A | 1.4472 | |
| 151 | S | A | 0.6656 | |
| 152 | G | A | 0.2464 | |
| 153 | M | A | 0.5346 | |
| 154 | P | A | -0.1067 | |
| 155 | G | A | -0.2524 | |
| 156 | A | A | 0.2895 | |
| 157 | P | A | 0.8734 | |
| 158 | L | A | 2.1830 | |
| 159 | L | A | 1.8558 | |
| 160 | P | A | -0.2697 | |
| 161 | E | A | -1.9148 | |
| 162 | G | A | -2.0404 | |
| 163 | P | A | -2.2458 | |
| 164 | R | A | -3.0432 | |
| 165 | E | A | -2.7934 | |
| 166 | A | A | -1.6696 | |
| 167 | T | A | -1.6159 | |
| 168 | R | A | -2.5074 | |
| 169 | Q | A | -2.3023 | |
| 170 | P | A | -1.5691 | |
| 171 | S | A | -0.8334 | |
| 172 | G | A | -0.7836 | |
| 173 | T | A | -0.6428 | |
| 174 | G | A | -1.4101 | |
| 175 | P | A | -1.9569 | |
| 176 | E | A | -3.0416 | |
| 177 | D | A | -3.2039 | |
| 178 | T | A | -2.3162 | |
| 179 | E | A | -2.5369 | |
| 180 | G | A | -2.0235 | |
| 181 | G | A | -2.1856 | |
| 182 | R | A | -2.6528 | |
| 183 | H | A | -1.9853 | |
| 184 | A | A | -1.3630 | |
| 185 | P | A | -1.2211 | |
| 186 | E | A | -0.9126 | |
| 187 | L | A | 0.7582 | |
| 188 | L | A | 0.8173 | |
| 189 | K | A | -1.6608 | |
| 190 | H | A | -1.6599 | |
| 191 | Q | A | -0.9681 | |
| 192 | L | A | 1.4004 | |
| 193 | L | A | 1.4709 | |
| 194 | G | A | 0.1421 | |
| 195 | D | A | -1.1418 | |
| 196 | L | A | -0.2791 | |
| 197 | H | A | -1.7722 | |
| 198 | Q | A | -2.5711 | |
| 199 | E | A | -2.9201 | |
| 200 | G | A | -1.7405 | |
| 201 | P | A | -0.6620 | |
| 202 | P | A | -0.0965 | |
| 203 | L | A | 0.3870 | |
| 204 | K | A | -1.2101 | |
| 205 | G | A | -1.0319 | |
| 206 | A | A | -0.8965 | |
| 207 | G | A | -1.1228 | |
| 208 | G | A | -2.0657 | |
| 209 | K | A | -3.4751 | |
| 210 | E | A | -3.8079 | |
| 211 | R | A | -3.3425 | |
| 212 | P | A | -1.9310 | |
| 213 | G | A | -1.6734 | |
| 214 | S | A | -1.9386 | |
| 215 | K | A | -3.1129 | |
| 216 | E | A | -3.3236 | |
| 217 | E | A | -2.6996 | |
| 218 | V | A | -1.3964 | |
| 219 | D | A | -2.8119 | |
| 220 | E | A | -3.9821 | |
| 221 | D | A | -4.0428 | |
| 222 | R | A | -3.9389 | |
| 223 | D | A | -2.8930 | |
| 224 | V | A | -1.0637 | |
| 225 | D | A | -1.9936 | |
| 226 | E | A | -1.5249 | |
| 227 | S | A | -1.0879 | |
| 228 | S | A | -1.3758 | |
| 229 | P | A | -1.5310 | |
| 230 | Q | A | -2.3406 | |
| 231 | D | A | -2.6220 | |
| 232 | S | A | -1.5549 | |
| 233 | P | A | -1.0218 | |
| 234 | P | A | -0.9064 | |
| 235 | S | A | -1.2352 | |
| 236 | K | A | -1.9042 | |
| 237 | A | A | -1.0049 | |
| 238 | S | A | -0.6696 | |
| 239 | P | A | -0.7603 | |
| 240 | A | A | -1.2227 | |
| 241 | Q | A | -2.1711 | |
| 242 | D | A | -2.9975 | |
| 243 | G | A | -2.6495 | |
| 244 | R | A | -2.6330 | |
| 245 | P | A | -1.7167 | |
| 246 | P | A | -1.3558 | |
| 247 | Q | A | -1.3906 | |
| 248 | T | A | -0.6880 | |
| 249 | A | A | -0.5427 | |
| 250 | A | A | -1.1998 | |
| 251 | R | A | -2.8261 | |
| 252 | E | A | -2.8405 | |
| 253 | A | A | -1.2817 | |
| 254 | T | A | -0.0880 | |
| 255 | S | A | 0.7946 | |
| 256 | I | A | 1.6777 | |
| 257 | P | A | 0.7670 | |
| 258 | G | A | 0.6593 | |
| 259 | F | A | 1.5619 | |
| 260 | P | A | 0.2370 | |
| 261 | A | A | -0.7301 | |
| 262 | E | A | -2.0447 | |
| 263 | G | A | -0.8128 | |
| 264 | A | A | 0.4327 | |
| 265 | I | A | 2.0892 | |
| 266 | P | A | 1.3686 | |
| 267 | L | A | 1.9964 | |
| 268 | P | A | 1.0263 | |
| 269 | V | A | 1.4839 | |
| 270 | D | A | 0.3509 | |
| 271 | F | A | 2.0844 | |
| 272 | L | A | 1.6043 | |
| 273 | S | A | 0.5731 | |
| 274 | K | A | -0.6548 | |
| 275 | V | A | 0.7950 | |
| 276 | S | A | -0.1377 | |
| 277 | T | A | -0.7266 | |
| 278 | E | A | -1.4105 | |
| 279 | I | A | 0.6984 | |
| 280 | P | A | 0.4680 | |
| 281 | A | A | -0.1613 | |
| 282 | S | A | -1.2889 | |
| 283 | E | A | -2.4153 | |
| 284 | P | A | -2.2348 | |
| 285 | D | A | -2.6016 | |
| 286 | G | A | -1.7304 | |
| 287 | P | A | -0.6241 | |
| 288 | S | A | 0.3289 | |
| 289 | V | A | 0.9243 | |
| 290 | G | A | -0.4780 | |
| 291 | R | A | -1.9943 | |
| 292 | A | A | -1.8144 | |
| 293 | K | A | -2.5901 | |
| 294 | G | A | -2.3993 | |
| 295 | Q | A | -2.7534 | |
| 296 | D | A | -2.5706 | |
| 297 | A | A | -0.8692 | |
| 298 | P | A | -0.2577 | |
| 299 | L | A | 0.9570 | |
| 300 | E | A | -0.2047 | |
| 301 | F | A | 1.7314 | |
| 302 | T | A | 1.1574 | |
| 303 | F | A | 2.2064 | |
| 304 | H | A | 0.3661 | |
| 305 | V | A | 1.2914 | |
| 306 | E | A | -0.2354 | |
| 307 | I | A | 1.4486 | |
| 308 | T | A | 0.0658 | |
| 309 | P | A | -0.0403 | |
| 310 | N | A | -0.8098 | |
| 311 | V | A | 0.1291 | |
| 312 | Q | A | -1.8050 | |
| 313 | K | A | -3.0318 | |
| 314 | E | A | -3.4779 | |
| 315 | Q | A | -2.6940 | |
| 316 | A | A | -1.7976 | |
| 317 | H | A | -1.7119 | |
| 318 | S | A | -1.9879 | |
| 319 | E | A | -3.2422 | |
| 320 | E | A | -2.9600 | |
| 321 | H | A | -1.6213 | |
| 322 | L | A | 0.1187 | |
| 323 | G | A | -0.8738 | |
| 324 | R | A | -1.7224 | |
| 325 | A | A | -0.6244 | |
| 326 | A | A | 0.5757 | |
| 327 | F | A | 1.7216 | |
| 328 | P | A | 0.6074 | |
| 329 | G | A | -0.1476 | |
| 330 | A | A | -0.6543 | |
| 331 | P | A | -1.0290 | |
| 332 | G | A | -1.5576 | |
| 333 | E | A | -2.3780 | |
| 334 | G | A | -1.9812 | |
| 335 | P | A | -1.8033 | |
| 336 | E | A | -2.4733 | |
| 337 | A | A | -2.0432 | |
| 338 | R | A | -2.5443 | |
| 339 | G | A | -1.8560 | |
| 340 | P | A | -0.7111 | |
| 341 | S | A | 0.2534 | |
| 342 | L | A | 0.7624 | |
| 343 | G | A | -1.1679 | |
| 344 | E | A | -2.6096 | |
| 345 | D | A | -3.1635 | |
| 346 | T | A | -2.6365 | |
| 347 | K | A | -3.0219 | |
| 348 | E | A | -3.0358 | |
| 349 | A | A | -1.8245 | |
| 350 | D | A | -1.4710 | |
| 351 | L | A | 0.2016 | |
| 352 | P | A | -0.6738 | |
| 353 | E | A | -1.8024 | |
| 354 | P | A | -1.7665 | |
| 355 | S | A | -1.9618 | |
| 356 | E | A | -3.1453 | |
| 357 | K | A | -3.3474 | |
| 358 | Q | A | -2.4936 | |
| 359 | P | A | -1.1991 | |
| 360 | A | A | -0.2675 | |
| 361 | A | A | 0.0050 | |
| 362 | A | A | -0.4687 | |
| 363 | P | A | -1.2169 | |
| 364 | R | A | -2.5144 | |
| 365 | G | A | -2.2725 | |
| 366 | K | A | -2.0332 | |
| 367 | P | A | -0.4645 | |
| 368 | V | A | 0.8251 | |
| 369 | S | A | 0.0750 | |
| 370 | R | A | -0.8067 | |
| 371 | V | A | 0.4289 | |
| 372 | P | A | 0.0080 | |
| 373 | Q | A | -0.4967 | |
| 374 | L | A | 0.0823 | |
| 375 | K | A | -1.4919 | |
| 376 | A | A | -1.1917 | |
| 377 | R | A | -1.2267 | |
| 378 | M | A | 0.4826 | |
| 379 | V | A | 1.2942 | |
| 380 | S | A | -0.1594 | |
| 381 | K | A | -1.7109 | |
| 382 | S | A | -2.2256 | |
| 383 | K | A | -3.1146 | |
| 384 | D | A | -2.9975 | |
| 385 | G | A | -2.0448 | |
| 386 | T | A | -1.0041 | |
| 387 | G | A | -1.2873 | |
| 388 | S | A | -1.8131 | |
| 389 | D | A | -3.3329 | |
| 390 | D | A | -3.9766 | |
| 391 | K | A | -3.7806 | |
| 392 | K | A | -3.2438 | |
| 393 | A | A | -2.0511 | |
| 394 | K | A | -2.1069 | |
| 395 | T | A | -1.0507 | |
| 396 | S | A | -1.0390 | |
| 397 | T | A | -1.1979 | |
| 398 | R | A | -2.0783 | |
| 399 | S | A | -1.2212 | |
| 400 | S | A | -1.0697 | |
| 401 | A | A | -0.9696 | |
| 402 | K | A | -1.4341 | |
| 403 | T | A | -0.4549 | |
| 404 | L | A | 0.0590 | |
| 405 | K | A | -2.1021 | |
| 406 | N | A | -2.8293 | |
| 407 | R | A | -2.6295 | |
| 408 | P | A | -0.7985 | |
| 409 | C | A | 0.8397 | |
| 410 | L | A | 1.5105 | |
| 411 | S | A | 0.2187 | |
| 412 | P | A | -1.0686 | |
| 413 | K | A | -2.4002 | |
| 414 | H | A | -2.0493 | |
| 415 | P | A | -1.3019 | |
| 416 | T | A | -0.6685 | |
| 417 | P | A | -0.7194 | |
| 418 | G | A | -1.0119 | |
| 419 | S | A | -1.0400 | |
| 420 | S | A | -1.3274 | |
| 421 | D | A | -1.6016 | |
| 422 | P | A | -0.2546 | |
| 423 | L | A | 1.7090 | |
| 424 | I | A | 1.8338 | |
| 425 | Q | A | 0.0675 | |
| 426 | P | A | -0.5419 | |
| 427 | S | A | -0.7178 | |
| 428 | S | A | -0.4971 | |
| 429 | P | A | -0.0524 | |
| 430 | A | A | 0.8778 | |
| 431 | V | A | 2.0465 | |
| 432 | C | A | 1.0405 | |
| 433 | P | A | -0.3884 | |
| 434 | E | A | -1.9503 | |
| 435 | P | A | -1.3628 | |
| 436 | P | A | -0.9258 | |
| 437 | S | A | -0.7949 | |
| 438 | S | A | -0.9026 | |
| 439 | P | A | -1.0589 | |
| 440 | K | A | -0.8372 | |
| 441 | Y | A | 1.2031 | |
| 442 | V | A | 2.0991 | |
| 443 | S | A | 1.1098 | |
| 444 | S | A | 0.9997 | |
| 445 | V | A | 1.7130 | |
| 446 | T | A | 0.2094 | |
| 447 | S | A | -0.7963 | |
| 448 | R | A | -2.1258 | |
| 449 | T | A | -1.3793 | |
| 450 | G | A | -1.1490 | |
| 451 | S | A | -0.8983 | |
| 452 | S | A | -0.8642 | |
| 453 | G | A | -1.2423 | |
| 454 | A | A | -1.5571 | |
| 455 | K | A | -2.5115 | |
| 456 | E | A | -2.5618 | |
| 457 | M | A | -0.8844 | |
| 458 | K | A | -1.1759 | |
| 459 | L | A | -0.1459 | |
| 460 | K | A | -1.4351 | |
| 461 | G | A | -1.3778 | |
| 462 | A | A | -1.5087 | |
| 463 | D | A | -2.5086 | |
| 464 | G | A | -2.3416 | |
| 465 | K | A | -2.6727 | |
| 466 | T | A | -1.4055 | |
| 467 | K | A | -1.0355 | |
| 468 | I | A | 1.1616 | |
| 469 | A | A | 0.6100 | |
| 470 | T | A | -0.1909 | |
| 471 | P | A | -1.2648 | |
| 472 | R | A | -2.1929 | |
| 473 | G | A | -1.7280 | |
| 474 | A | A | -0.8155 | |
| 475 | A | A | -0.4577 | |
| 476 | P | A | -0.4714 | |
| 477 | P | A | -0.8971 | |
| 478 | G | A | -1.6159 | |
| 479 | Q | A | -2.3880 | |
| 480 | K | A | -2.8781 | |
| 481 | G | A | -2.3117 | |
| 482 | Q | A | -2.0603 | |
| 483 | A | A | -1.5303 | |
| 484 | N | A | -1.5233 | |
| 485 | A | A | -0.9795 | |
| 486 | T | A | -0.8540 | |
| 487 | R | A | -0.9628 | |
| 488 | I | A | 0.9968 | |
| 489 | P | A | 0.0825 | |
| 490 | A | A | -0.4395 | |
| 491 | K | A | -1.8059 | |
| 492 | T | A | -1.0415 | |
| 493 | P | A | -0.7436 | |
| 494 | P | A | -0.4248 | |
| 495 | A | A | -0.6017 | |
| 496 | P | A | -1.0933 | |
| 497 | K | A | -1.8982 | |
| 498 | T | A | -1.2289 | |
| 499 | P | A | -0.8418 | |
| 500 | P | A | -0.6297 | |
| 501 | S | A | -0.6023 | |
| 502 | S | A | -1.0621 | |
| 503 | G | A | -1.5968 | |
| 504 | E | A | -2.2911 | |
| 505 | P | A | -1.8282 | |
| 506 | P | A | -1.6632 | |
| 507 | K | A | -2.0913 | |
| 508 | S | A | -1.8918 | |
| 509 | G | A | -2.2431 | |
| 510 | D | A | -2.9942 | |
| 511 | R | A | -3.0370 | |
| 512 | S | A | -1.5221 | |
| 513 | G | A | -0.4428 | |
| 514 | Y | A | 0.9003 | |
| 515 | S | A | 0.1278 | |
| 516 | S | A | -0.5767 | |
| 517 | P | A | -1.0654 | |
| 518 | G | A | -1.2294 | |
| 519 | S | A | -1.4382 | |
| 520 | P | A | -1.2929 | |
| 521 | G | A | -1.0390 | |
| 522 | T | A | -0.6312 | |
| 523 | P | A | -0.8860 | |
| 524 | G | A | -1.2111 | |
| 525 | S | A | -1.5679 | |
| 526 | R | A | -2.6039 | |
| 527 | S | A | -2.2172 | |
| 528 | R | A | -2.4439 | |
| 529 | T | A | -1.2010 | |
| 530 | P | A | -0.5210 | |
| 531 | S | A | 0.3318 | |
| 532 | L | A | 1.2395 | |
| 533 | P | A | 0.4783 | |
| 534 | T | A | -0.0323 | |
| 535 | P | A | -0.4804 | |
| 536 | P | A | -0.7975 | |
| 537 | T | A | -1.5253 | |
| 538 | R | A | -2.9634 | |
| 539 | E | A | -3.2820 | |
| 540 | P | A | -2.6958 | |
| 541 | K | A | -2.6942 | |
| 542 | K | A | -1.7909 | |
| 543 | V | A | 1.2009 | |
| 544 | A | A | 1.6547 | |
| 545 | V | A | 2.8239 | |
| 546 | V | A | 2.0552 | |
| 547 | R | A | -0.7788 | |
| 548 | T | A | -0.8862 | |
| 549 | P | A | -1.0499 | |
| 550 | P | A | -1.4332 | |
| 551 | K | A | -2.0406 | |
| 552 | S | A | -1.2957 | |
| 553 | P | A | -0.9106 | |
| 554 | S | A | -0.6522 | |
| 555 | S | A | -0.7478 | |
| 556 | A | A | -1.1939 | |
| 557 | K | A | -2.1533 | |
| 558 | S | A | -1.6963 | |
| 559 | R | A | -1.9797 | |
| 560 | L | A | -0.2367 | |
| 561 | Q | A | -1.0145 | |
| 562 | T | A | -0.3083 | |
| 563 | A | A | 0.2479 | |
| 564 | P | A | 0.5663 | |
| 565 | V | A | 1.7649 | |
| 566 | P | A | 0.6998 | |
| 567 | M | A | 0.9739 | |
| 568 | P | A | -0.1873 | |
| 569 | D | A | -1.4501 | |
| 570 | L | A | -0.0888 | |
| 571 | K | A | -1.8922 | |
| 572 | N | A | -1.6700 | |
| 573 | V | A | -0.2149 | |
| 574 | K | A | -1.4813 | |
| 575 | S | A | -1.0480 | |
| 576 | K | A | -1.1783 | |
| 577 | I | A | 0.3821 | |
| 578 | G | A | -0.8637 | |
| 579 | S | A | -0.6601 | |
| 580 | T | A | -1.0498 | |
| 581 | E | A | -2.4814 | |
| 582 | N | A | -2.5935 | |
| 583 | L | A | -0.9635 | |
| 584 | K | A | -2.6358 | |
| 585 | H | A | -2.7599 | |
| 586 | Q | A | -2.3907 | |
| 587 | P | A | -1.7379 | |
| 588 | G | A | -1.6442 | |
| 589 | G | A | -1.2664 | |
| 590 | G | A | -1.3407 | |
| 591 | K | A | -1.3193 | |
| 592 | V | A | 0.9380 | |
| 593 | Q | A | 0.5662 | |
| 594 | I | A | 2.1026 | |
| 595 | I | A | 1.5518 | |
| 596 | N | A | -0.9663 | |
| 597 | K | A | -2.0897 | |
| 598 | K | A | -2.1177 | |
| 599 | L | A | -0.3434 | |
| 600 | D | A | -0.9810 | |
| 601 | L | A | 0.7887 | |
| 602 | S | A | -0.1171 | |
| 603 | N | A | -0.6615 | |
| 604 | V | A | 0.5239 | |
| 605 | Q | A | -0.9134 | |
| 606 | S | A | -1.1435 | |
| 607 | K | A | -1.6756 | |
| 608 | C | A | -0.8458 | |
| 609 | G | A | -1.7724 | |
| 610 | S | A | -1.6758 | |
| 611 | K | A | -2.7036 | |
| 612 | D | A | -3.1127 | |
| 613 | N | A | -2.5184 | |
| 614 | I | A | -0.4663 | |
| 615 | K | A | -1.7151 | |
| 616 | H | A | -0.7128 | |
| 617 | V | A | 0.8524 | |
| 618 | P | A | -0.2510 | |
| 619 | G | A | -0.5478 | |
| 620 | G | A | -0.6033 | |
| 621 | G | A | -0.5603 | |
| 622 | S | A | 0.1892 | |
| 623 | V | A | 1.6091 | |
| 624 | Q | A | 1.1550 | |
| 625 | I | A | 3.0393 | |
| 626 | V | A | 2.2552 | |
| 627 | Y | A | 1.3731 | |
| 628 | K | A | -1.1231 | |
| 629 | P | A | -0.3443 | |
| 630 | V | A | 0.8858 | |
| 631 | D | A | -0.7520 | |
| 632 | L | A | 0.8997 | |
| 633 | S | A | -0.1639 | |
| 634 | K | A | -0.7763 | |
| 635 | V | A | 1.1636 | |
| 636 | T | A | -0.0620 | |
| 637 | S | A | -0.5398 | |
| 638 | K | A | -1.5764 | |
| 639 | C | A | -0.2410 | |
| 640 | G | A | -0.2441 | |
| 641 | S | A | 0.4002 | |
| 642 | L | A | 1.2357 | |
| 643 | G | A | -0.0795 | |
| 644 | N | A | -0.7106 | |
| 645 | I | A | 0.6368 | |
| 646 | H | A | -1.2435 | |
| 647 | H | A | -2.1301 | |
| 648 | K | A | -2.4585 | |
| 649 | P | A | -1.8421 | |
| 650 | G | A | -1.6397 | |
| 651 | G | A | -1.3021 | |
| 652 | G | A | -1.1426 | |
| 653 | Q | A | -1.0241 | |
| 654 | V | A | 0.3947 | |
| 655 | E | A | -0.9962 | |
| 656 | V | A | 0.1159 | |
| 657 | K | A | -1.9896 | |
| 658 | S | A | -1.8796 | |
| 659 | E | A | -2.7872 | |
| 660 | K | A | -2.3374 | |
| 661 | L | A | -0.3547 | |
| 662 | D | A | -1.6840 | |
| 663 | F | A | -0.1093 | |
| 664 | K | A | -2.2216 | |
| 665 | D | A | -3.0102 | |
| 666 | R | A | -2.3895 | |
| 667 | V | A | -0.4658 | |
| 668 | Q | A | -1.4425 | |
| 669 | S | A | -0.8400 | |
| 670 | K | A | -1.0901 | |
| 671 | I | A | 0.9082 | |
| 672 | G | A | -0.1983 | |
| 673 | S | A | 0.2041 | |
| 674 | L | A | 0.9540 | |
| 675 | D | A | -1.2315 | |
| 676 | N | A | -0.9736 | |
| 677 | I | A | 1.2313 | |
| 678 | T | A | 0.3423 | |
| 679 | H | A | 0.0783 | |
| 680 | V | A | 1.2541 | |
| 681 | P | A | -0.0961 | |
| 682 | G | A | -0.7671 | |
| 683 | G | A | -1.3573 | |
| 684 | G | A | -2.1511 | |
| 685 | N | A | -2.7205 | |
| 686 | K | A | -3.0251 | |
| 687 | K | A | -2.4578 | |
| 688 | I | A | -0.4125 | |
| 689 | E | A | -1.9925 | |
| 690 | T | A | -1.3636 | |
| 691 | H | A | -1.6681 | |
| 692 | K | A | -1.4482 | |
| 693 | L | A | 0.7305 | |
| 694 | T | A | -0.0139 | |
| 695 | F | A | 0.2435 | |
| 696 | R | A | -2.1545 | |
| 697 | E | A | -3.0846 | |
| 698 | N | A | -2.5329 | |
| 699 | A | A | -2.0399 | |
| 700 | K | A | -2.7801 | |
| 701 | A | A | -1.9648 | |
| 702 | K | A | -2.6892 | |
| 703 | T | A | -2.3152 | |
| 704 | D | A | -2.8351 | |
| 705 | H | A | -2.5224 | |
| 706 | G | A | -1.5952 | |
| 707 | A | A | -0.7079 | |
| 708 | E | A | -0.3798 | |
| 709 | I | A | 2.1158 | |
| 710 | V | A | 2.5393 | |
| 711 | Y | A | 1.6217 | |
| 712 | K | A | -0.6189 | |
| 713 | S | A | -0.5200 | |
| 714 | P | A | 0.6562 | |
| 715 | V | A | 2.6746 | |
| 716 | V | A | 2.6490 | |
| 717 | S | A | 0.8138 | |
| 718 | G | A | -0.7775 | |
| 719 | D | A | -2.1047 | |
| 720 | T | A | -1.2831 | |
| 721 | S | A | -1.1666 | |
| 722 | P | A | -1.4764 | |
| 723 | R | A | -2.1710 | |
| 724 | H | A | -1.2669 | |
| 725 | L | A | 0.3986 | |
| 726 | S | A | -0.0502 | |
| 727 | N | A | -0.3744 | |
| 728 | V | A | 1.1404 | |
| 729 | S | A | 0.1713 | |
| 730 | S | A | -0.2765 | |
| 731 | T | A | -0.5301 | |
| 732 | G | A | -0.6346 | |
| 733 | S | A | -0.3079 | |
| 734 | I | A | 1.0300 | |
| 735 | D | A | -0.2643 | |
| 736 | M | A | 1.4473 | |
| 737 | V | A | 1.4817 | |
| 738 | D | A | -0.9754 | |
| 739 | S | A | -0.1926 | |
| 740 | P | A | -0.5858 | |
| 741 | Q | A | -0.6480 | |
| 742 | L | A | 0.7219 | |
| 743 | A | A | 0.0472 | |
| 744 | T | A | -0.5556 | |
| 745 | L | A | 0.0915 | |
| 746 | A | A | -0.2635 | |
| 747 | D | A | -1.6570 | |
| 748 | E | A | -1.3903 | |
| 749 | V | A | 0.4449 | |
| 750 | S | A | -0.3535 | |
| 751 | A | A | -0.8566 | |
| 752 | S | A | -0.6145 | |
| 753 | L | A | 0.1842 | |
| 754 | A | A | -0.4904 | |
| 755 | K | A | -1.7274 | |
| 756 | Q | A | -1.5095 | |
| 757 | G | A | -0.5954 | |
| 758 | L | A | 0.9219 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.3343 | 5.67 | View | CSV | PDB |
| 4.5 | -0.426 | 5.67 | View | CSV | PDB |
| 5.0 | -0.541 | 5.67 | View | CSV | PDB |
| 5.5 | -0.6536 | 5.67 | View | CSV | PDB |
| 6.0 | -0.7365 | 5.67 | View | CSV | PDB |
| 6.5 | -0.7752 | 5.67 | View | CSV | PDB |
| 7.0 | -0.7737 | 5.67 | View | CSV | PDB |
| 7.5 | -0.7462 | 5.67 | View | CSV | PDB |
| 8.0 | -0.7047 | 5.67 | View | CSV | PDB |
| 8.5 | -0.6529 | 5.67 | View | CSV | PDB |
| 9.0 | -0.5898 | 5.67 | 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