| Chain sequence(s) |
A: MESRGRRCPEMISVLGPISGHVLKAVFSRGDTPVLPHETRLLQTGIHVRVSQPSLILVSQYTPDSTPCHRGDNQLQVQHTYFTGSEVENVSVNVHNPTGRSICPSQEPMSIYVYALPLKMLNIPSINVHHYPSAAERKHRHLPVADAVIHASGKQMWQARLTVSGLAWTRQQNQWKEPDVYYTSAFVFPTKDVALRHVVCAHELVCSMENTRATKMQVIGDQYVKVYLESFCEDVPSGKLFMHVTLGSDVEEDLTMTRNPQPFMRPHERNGFTVLCPKNMIIKPGKISHIMLDVAFTSHEHFGLLCPKSIPGLSISGNLLMNGQQIFLEVQAIRETVELRQYDPVAALFFFDIDLLLQRGPQYSEHPTFTSQYRIQGKLEYRHTWDRHDEGAAQGDDDVWTSGSDSDEELVTTERKTPRVTGGGAMAGASTSAGRKRKSASSATACTSGVMTRGRLKAESTVAPEEDTDEDSDNEIHNPAVFTWPPWQAGILARNLVPMVATVQGQNLKYQEFFWDANDIYRIFAELEGVWQPAAQPKRRRHRQDALPGPCIASTPKKHRG
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] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[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 (00:06:14)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/942786512bf9879/tmp/folded.pdb (00:06:14)
[INFO] Main: Simulation completed successfully. (00:10:49)
|
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 | -0.1256 | |
| 2 | E | A | -1.9786 | |
| 3 | S | A | -2.1165 | |
| 4 | R | A | -3.2902 | |
| 5 | G | A | -3.0119 | |
| 6 | R | A | -3.2918 | |
| 7 | R | A | -3.0194 | |
| 8 | C | A | -1.0689 | |
| 9 | P | A | -0.8519 | |
| 10 | E | A | -0.9895 | |
| 11 | M | A | -0.1663 | |
| 12 | I | A | 0.0063 | |
| 13 | S | A | -0.3018 | |
| 14 | V | A | 0.4328 | |
| 15 | L | A | 0.0000 | |
| 16 | G | A | -0.1525 | |
| 17 | P | A | 0.2190 | |
| 18 | I | A | 0.0000 | |
| 19 | S | A | 0.1886 | |
| 20 | G | A | 0.0000 | |
| 21 | H | A | -0.8835 | |
| 22 | V | A | 0.0000 | |
| 23 | L | A | 0.0000 | |
| 24 | K | A | 0.0033 | |
| 25 | A | A | 0.0000 | |
| 26 | V | A | -0.2030 | |
| 27 | F | A | 0.0000 | |
| 28 | S | A | -1.4245 | |
| 29 | R | A | -1.9133 | |
| 30 | G | A | -1.6253 | |
| 31 | D | A | -2.3018 | |
| 32 | T | A | -0.8509 | |
| 33 | P | A | -0.6721 | |
| 34 | V | A | 0.0000 | |
| 35 | L | A | 0.1058 | |
| 36 | P | A | -0.7736 | |
| 37 | H | A | -1.2914 | |
| 38 | E | A | -0.9081 | |
| 39 | T | A | -0.7825 | |
| 40 | R | A | -0.2250 | |
| 41 | L | A | 0.1508 | |
| 42 | L | A | 0.0000 | |
| 43 | Q | A | -0.1097 | |
| 44 | T | A | 0.0000 | |
| 45 | G | A | -0.8884 | |
| 46 | I | A | 0.0000 | |
| 47 | H | A | 0.0000 | |
| 48 | V | A | 0.0000 | |
| 49 | R | A | -1.5731 | |
| 50 | V | A | 0.0000 | |
| 51 | S | A | -0.8217 | |
| 52 | Q | A | -1.2138 | |
| 53 | P | A | -0.9521 | |
| 54 | S | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | L | A | 0.0000 | |
| 58 | V | A | 0.0000 | |
| 59 | S | A | 0.0000 | |
| 60 | Q | A | -0.3219 | |
| 61 | Y | A | 0.1261 | |
| 62 | T | A | 0.0000 | |
| 63 | P | A | -0.3671 | |
| 64 | D | A | -0.4516 | |
| 65 | S | A | -0.4448 | |
| 66 | T | A | -0.5104 | |
| 67 | P | A | -0.9831 | |
| 68 | C | A | -1.6364 | |
| 69 | H | A | -2.6206 | |
| 70 | R | A | -3.2957 | |
| 71 | G | A | -3.0681 | |
| 72 | D | A | -3.5597 | |
| 73 | N | A | -3.2115 | |
| 74 | Q | A | -2.3527 | |
| 75 | L | A | 0.0000 | |
| 76 | Q | A | 0.0000 | |
| 77 | V | A | 0.0000 | |
| 78 | Q | A | 0.0000 | |
| 79 | H | A | 0.0000 | |
| 80 | T | A | -0.0367 | |
| 81 | Y | A | 0.1825 | |
| 82 | F | A | 0.0493 | |
| 83 | T | A | -0.3044 | |
| 84 | G | A | -0.9511 | |
| 85 | S | A | -1.4619 | |
| 86 | E | A | -2.5956 | |
| 87 | V | A | -1.8701 | |
| 88 | E | A | -2.6112 | |
| 89 | N | A | -1.7134 | |
| 90 | V | A | 0.0000 | |
| 91 | S | A | -0.2076 | |
| 92 | V | A | 0.0000 | |
| 93 | N | A | -0.2473 | |
| 94 | V | A | 0.0000 | |
| 95 | H | A | 0.0000 | |
| 96 | N | A | 0.0000 | |
| 97 | P | A | -1.4245 | |
| 98 | T | A | 0.0000 | |
| 99 | G | A | -1.3082 | |
| 100 | R | A | -1.5990 | |
| 101 | S | A | -0.6204 | |
| 102 | I | A | 0.0000 | |
| 103 | C | A | -1.0933 | |
| 104 | P | A | 0.0000 | |
| 105 | S | A | -1.8139 | |
| 106 | Q | A | -1.7816 | |
| 107 | E | A | -1.1650 | |
| 108 | P | A | -1.0522 | |
| 109 | M | A | 0.0000 | |
| 110 | S | A | 0.1065 | |
| 111 | I | A | 0.0000 | |
| 112 | Y | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | Y | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | L | A | 0.0000 | |
| 117 | P | A | -0.6375 | |
| 118 | L | A | 0.0000 | |
| 119 | K | A | -1.2873 | |
| 120 | M | A | -0.4472 | |
| 121 | L | A | -1.2092 | |
| 122 | N | A | -2.0856 | |
| 123 | I | A | -0.7575 | |
| 124 | P | A | 0.0000 | |
| 125 | S | A | -0.7560 | |
| 126 | I | A | 0.0000 | |
| 127 | N | A | -0.5489 | |
| 128 | V | A | 0.0000 | |
| 129 | H | A | -0.2035 | |
| 130 | H | A | -0.4624 | |
| 131 | Y | A | 0.7646 | |
| 132 | P | A | 0.1058 | |
| 133 | S | A | -0.6595 | |
| 134 | A | A | -0.9580 | |
| 135 | A | A | -2.0866 | |
| 136 | E | A | -3.7352 | |
| 137 | R | A | -4.2526 | |
| 138 | K | A | -3.8844 | |
| 139 | H | A | -3.0180 | |
| 140 | R | A | -3.5203 | |
| 141 | H | A | -2.1940 | |
| 142 | L | A | -0.7699 | |
| 143 | P | A | -0.0461 | |
| 144 | V | A | 0.8095 | |
| 145 | A | A | 0.0000 | |
| 146 | D | A | -1.2910 | |
| 147 | A | A | -0.7546 | |
| 148 | V | A | 0.1538 | |
| 149 | I | A | -0.7748 | |
| 150 | H | A | -1.3054 | |
| 151 | A | A | -1.2105 | |
| 152 | S | A | -1.0345 | |
| 153 | G | A | -1.5169 | |
| 154 | K | A | -2.0727 | |
| 155 | Q | A | -1.3269 | |
| 156 | M | A | -1.1023 | |
| 157 | W | A | 0.0000 | |
| 158 | Q | A | -0.7187 | |
| 159 | A | A | 0.0000 | |
| 160 | R | A | -1.4086 | |
| 161 | L | A | 0.0000 | |
| 162 | T | A | -0.7856 | |
| 163 | V | A | 0.0000 | |
| 164 | S | A | -1.0752 | |
| 165 | G | A | -0.8021 | |
| 166 | L | A | 0.0000 | |
| 167 | A | A | -0.2528 | |
| 168 | W | A | -0.0969 | |
| 169 | T | A | -0.7436 | |
| 170 | R | A | -2.1071 | |
| 171 | Q | A | -1.9902 | |
| 172 | Q | A | -2.3889 | |
| 173 | N | A | -1.8611 | |
| 174 | Q | A | -1.9352 | |
| 175 | W | A | -1.1740 | |
| 176 | K | A | -1.6367 | |
| 177 | E | A | -1.9544 | |
| 178 | P | A | -1.7715 | |
| 179 | D | A | -2.2393 | |
| 180 | V | A | -1.9781 | |
| 181 | Y | A | -1.5231 | |
| 182 | Y | A | 0.0000 | |
| 183 | T | A | -0.3037 | |
| 184 | S | A | 0.0000 | |
| 185 | A | A | 0.2401 | |
| 186 | F | A | 0.0000 | |
| 187 | V | A | 0.0000 | |
| 188 | F | A | 0.0000 | |
| 189 | P | A | -1.0014 | |
| 190 | T | A | 0.0000 | |
| 191 | K | A | -2.8370 | |
| 192 | D | A | -2.8366 | |
| 193 | V | A | 0.0000 | |
| 194 | A | A | -1.8102 | |
| 195 | L | A | 0.0000 | |
| 196 | R | A | -2.4464 | |
| 197 | H | A | -1.1699 | |
| 198 | V | A | 0.0000 | |
| 199 | V | A | -0.5589 | |
| 200 | C | A | 0.0000 | |
| 201 | A | A | 0.0000 | |
| 202 | H | A | -0.2152 | |
| 203 | E | A | 0.1595 | |
| 204 | L | A | 1.0945 | |
| 205 | V | A | 1.1352 | |
| 206 | C | A | 0.2972 | |
| 207 | S | A | -0.4569 | |
| 208 | M | A | -1.1741 | |
| 209 | E | A | -2.3043 | |
| 210 | N | A | -2.3482 | |
| 211 | T | A | 0.0000 | |
| 212 | R | A | -0.8099 | |
| 213 | A | A | 0.0000 | |
| 214 | T | A | 0.0000 | |
| 215 | K | A | -0.6814 | |
| 216 | M | A | 0.0000 | |
| 217 | Q | A | -0.1530 | |
| 218 | V | A | -0.7453 | |
| 219 | I | A | -1.1044 | |
| 220 | G | A | -2.1205 | |
| 221 | D | A | -2.9785 | |
| 222 | Q | A | -2.6417 | |
| 223 | Y | A | -1.2070 | |
| 224 | V | A | 0.0000 | |
| 225 | K | A | 0.0373 | |
| 226 | V | A | 0.0000 | |
| 227 | Y | A | -0.0662 | |
| 228 | L | A | 0.0000 | |
| 229 | E | A | 0.0000 | |
| 230 | S | A | 0.0000 | |
| 231 | F | A | 0.0000 | |
| 232 | C | A | -1.5617 | |
| 233 | E | A | -2.4009 | |
| 234 | D | A | -1.9282 | |
| 235 | V | A | 0.2004 | |
| 236 | P | A | 0.0000 | |
| 237 | S | A | -0.7104 | |
| 238 | G | A | -1.0648 | |
| 239 | K | A | -1.9358 | |
| 240 | L | A | 0.0000 | |
| 241 | F | A | -0.1839 | |
| 242 | M | A | 0.0000 | |
| 243 | H | A | -0.0031 | |
| 244 | V | A | 0.0000 | |
| 245 | T | A | -0.3437 | |
| 246 | L | A | 0.0000 | |
| 247 | G | A | 0.0000 | |
| 248 | S | A | -0.9305 | |
| 249 | D | A | -1.1859 | |
| 250 | V | A | 0.0040 | |
| 251 | E | A | -2.1799 | |
| 252 | E | A | -2.3433 | |
| 253 | D | A | -2.7210 | |
| 254 | L | A | 0.0000 | |
| 255 | T | A | -0.6537 | |
| 256 | M | A | 0.0000 | |
| 257 | T | A | -0.7100 | |
| 258 | R | A | -0.9599 | |
| 259 | N | A | 0.0000 | |
| 260 | P | A | 0.0000 | |
| 261 | Q | A | -1.2236 | |
| 262 | P | A | -0.9009 | |
| 263 | F | A | 0.0000 | |
| 264 | M | A | 0.0000 | |
| 265 | R | A | -2.2379 | |
| 266 | P | A | -1.6466 | |
| 267 | H | A | -1.5874 | |
| 268 | E | A | -2.3136 | |
| 269 | R | A | -1.4305 | |
| 270 | N | A | 0.0000 | |
| 271 | G | A | 0.0000 | |
| 272 | F | A | 0.0000 | |
| 273 | T | A | -0.8144 | |
| 274 | V | A | 0.0000 | |
| 275 | L | A | -0.5009 | |
| 276 | C | A | 0.0000 | |
| 277 | P | A | 0.0000 | |
| 278 | K | A | -1.8864 | |
| 279 | N | A | -2.2444 | |
| 280 | M | A | 0.0000 | |
| 281 | I | A | -0.0609 | |
| 282 | I | A | 0.0000 | |
| 283 | K | A | -2.0396 | |
| 284 | P | A | -1.9789 | |
| 285 | G | A | -1.7240 | |
| 286 | K | A | -1.7059 | |
| 287 | I | A | 0.0665 | |
| 288 | S | A | -0.1517 | |
| 289 | H | A | -0.2510 | |
| 290 | I | A | 0.0000 | |
| 291 | M | A | -0.2958 | |
| 292 | L | A | 0.0000 | |
| 293 | D | A | -1.0952 | |
| 294 | V | A | 0.0000 | |
| 295 | A | A | 0.0000 | |
| 296 | F | A | 0.0000 | |
| 297 | T | A | -1.2284 | |
| 298 | S | A | -1.8803 | |
| 299 | H | A | -2.3169 | |
| 300 | E | A | -2.9586 | |
| 301 | H | A | 0.0000 | |
| 302 | F | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | L | A | 0.0000 | |
| 306 | C | A | 0.0000 | |
| 307 | P | A | 0.0000 | |
| 308 | K | A | -0.4829 | |
| 309 | S | A | -0.3389 | |
| 310 | I | A | -0.3804 | |
| 311 | P | A | -0.6347 | |
| 312 | G | A | -1.3278 | |
| 313 | L | A | 0.0000 | |
| 314 | S | A | 0.0000 | |
| 315 | I | A | 0.0000 | |
| 316 | S | A | 0.0000 | |
| 317 | G | A | 0.0000 | |
| 318 | N | A | 0.0000 | |
| 319 | L | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | M | A | -1.2380 | |
| 322 | N | A | -2.0914 | |
| 323 | G | A | -1.4382 | |
| 324 | Q | A | -1.5624 | |
| 325 | Q | A | -1.2665 | |
| 326 | I | A | 0.0000 | |
| 327 | F | A | -0.1054 | |
| 328 | L | A | 0.0000 | |
| 329 | E | A | -0.2966 | |
| 330 | V | A | 0.0000 | |
| 331 | Q | A | -0.9894 | |
| 332 | A | A | 0.0000 | |
| 333 | I | A | -1.7112 | |
| 334 | R | A | -2.9238 | |
| 335 | E | A | -3.0360 | |
| 336 | T | A | -2.2567 | |
| 337 | V | A | 0.0000 | |
| 338 | E | A | -2.2931 | |
| 339 | L | A | 0.0000 | |
| 340 | R | A | -2.4842 | |
| 341 | Q | A | -1.7548 | |
| 342 | Y | A | -0.5895 | |
| 343 | D | A | -0.9105 | |
| 344 | P | A | -0.6386 | |
| 345 | V | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | A | A | 0.0000 | |
| 348 | L | A | 0.0000 | |
| 349 | F | A | 0.0000 | |
| 350 | F | A | 0.0000 | |
| 351 | F | A | 0.0000 | |
| 352 | D | A | -1.5932 | |
| 353 | I | A | -1.1562 | |
| 354 | D | A | -1.8428 | |
| 355 | L | A | -0.7017 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | -0.2748 | |
| 358 | Q | A | -0.9664 | |
| 359 | R | A | -1.6348 | |
| 360 | G | A | -1.8268 | |
| 361 | P | A | -1.5912 | |
| 362 | Q | A | -2.2657 | |
| 363 | Y | A | 0.0000 | |
| 364 | S | A | -2.0720 | |
| 365 | E | A | -2.7916 | |
| 366 | H | A | -2.1582 | |
| 367 | P | A | -0.9757 | |
| 368 | T | A | -0.2793 | |
| 369 | F | A | 0.2567 | |
| 370 | T | A | 0.0000 | |
| 371 | S | A | -0.5940 | |
| 372 | Q | A | 0.0000 | |
| 373 | Y | A | 0.0000 | |
| 374 | R | A | -1.9790 | |
| 375 | I | A | 0.0000 | |
| 376 | Q | A | -0.6429 | |
| 377 | G | A | 0.0000 | |
| 378 | K | A | -0.2966 | |
| 379 | L | A | 0.0000 | |
| 380 | E | A | 0.0000 | |
| 381 | Y | A | -0.5598 | |
| 382 | R | A | -1.6018 | |
| 383 | H | A | -1.9629 | |
| 384 | T | A | -1.8353 | |
| 385 | W | A | 0.0000 | |
| 386 | D | A | -4.1507 | |
| 387 | R | A | -4.4611 | |
| 388 | H | A | -3.7402 | |
| 389 | D | A | -4.5315 | |
| 390 | E | A | -4.3063 | |
| 391 | G | A | -3.3653 | |
| 392 | A | A | -2.4165 | |
| 393 | A | A | -2.0248 | |
| 394 | Q | A | -3.0343 | |
| 395 | G | A | -2.7344 | |
| 396 | D | A | -3.4014 | |
| 397 | D | A | -3.2310 | |
| 398 | D | A | -2.1318 | |
| 399 | V | A | 0.6637 | |
| 400 | W | A | 1.1505 | |
| 401 | T | A | 0.4755 | |
| 402 | S | A | -0.1763 | |
| 403 | G | A | -1.0402 | |
| 404 | S | A | -1.6129 | |
| 405 | D | A | -2.5634 | |
| 406 | S | A | -2.4740 | |
| 407 | D | A | -3.6257 | |
| 408 | E | A | -3.3524 | |
| 409 | E | A | -1.9406 | |
| 410 | L | A | 1.1882 | |
| 411 | V | A | 2.1279 | |
| 412 | T | A | 0.7117 | |
| 413 | T | A | -0.9849 | |
| 414 | E | A | -3.1333 | |
| 415 | R | A | -3.6454 | |
| 416 | K | A | -3.2821 | |
| 417 | T | A | -1.9069 | |
| 418 | P | A | -1.2500 | |
| 419 | R | A | -1.3104 | |
| 420 | V | A | 0.6778 | |
| 421 | T | A | 0.0618 | |
| 422 | G | A | -0.4427 | |
| 423 | G | A | -0.9331 | |
| 424 | G | A | -0.5329 | |
| 425 | A | A | 0.2869 | |
| 426 | M | A | 0.9075 | |
| 427 | A | A | 0.3696 | |
| 428 | G | A | -0.2301 | |
| 429 | A | A | -0.2773 | |
| 430 | S | A | -0.3746 | |
| 431 | T | A | -0.2620 | |
| 432 | S | A | -0.3669 | |
| 433 | A | A | -0.8818 | |
| 434 | G | A | -1.9976 | |
| 435 | R | A | -3.5288 | |
| 436 | K | A | -4.0504 | |
| 437 | R | A | -4.0648 | |
| 438 | K | A | -3.3211 | |
| 439 | S | A | -1.7018 | |
| 440 | A | A | -0.8450 | |
| 441 | S | A | -0.5278 | |
| 442 | S | A | -0.3114 | |
| 443 | A | A | -0.0163 | |
| 444 | T | A | 0.0955 | |
| 445 | A | A | 0.3196 | |
| 446 | C | A | 0.5860 | |
| 447 | T | A | 0.3016 | |
| 448 | S | A | 0.3470 | |
| 449 | G | A | 0.5486 | |
| 450 | V | A | 1.5405 | |
| 451 | M | A | 0.3680 | |
| 452 | T | A | -0.4169 | |
| 453 | R | A | -2.1427 | |
| 454 | G | A | -1.8972 | |
| 455 | R | A | -2.7557 | |
| 456 | L | A | -1.8450 | |
| 457 | K | A | -2.7090 | |
| 458 | A | A | -1.8262 | |
| 459 | E | A | -2.1018 | |
| 460 | S | A | -0.8492 | |
| 461 | T | A | 0.1871 | |
| 462 | V | A | 1.1660 | |
| 463 | A | A | 0.1291 | |
| 464 | P | A | -1.4286 | |
| 465 | E | A | -3.0061 | |
| 466 | E | A | -3.6789 | |
| 467 | D | A | -3.7688 | |
| 468 | T | A | -2.9324 | |
| 469 | D | A | -3.5801 | |
| 470 | E | A | -4.4125 | |
| 471 | D | A | -4.2873 | |
| 472 | S | A | -3.1532 | |
| 473 | D | A | -3.5696 | |
| 474 | N | A | -3.4903 | |
| 475 | E | A | -2.6069 | |
| 476 | I | A | -0.3432 | |
| 477 | H | A | -1.5814 | |
| 478 | N | A | -1.4391 | |
| 479 | P | A | -1.0634 | |
| 480 | A | A | 0.0000 | |
| 481 | V | A | 0.0000 | |
| 482 | F | A | 0.0000 | |
| 483 | T | A | 0.0000 | |
| 484 | W | A | 0.0000 | |
| 485 | P | A | 0.0000 | |
| 486 | P | A | 0.0000 | |
| 487 | W | A | 0.0000 | |
| 488 | Q | A | -0.5396 | |
| 489 | A | A | 0.0000 | |
| 490 | G | A | 0.0000 | |
| 491 | I | A | 0.0000 | |
| 492 | L | A | -0.6150 | |
| 493 | A | A | 0.0000 | |
| 494 | R | A | -2.2121 | |
| 495 | N | A | -1.4962 | |
| 496 | L | A | 0.0000 | |
| 497 | V | A | 0.0000 | |
| 498 | P | A | -0.7131 | |
| 499 | M | A | 0.0000 | |
| 500 | V | A | 0.1131 | |
| 501 | A | A | 0.0000 | |
| 502 | T | A | -0.3772 | |
| 503 | V | A | 0.0000 | |
| 504 | Q | A | -1.4070 | |
| 505 | G | A | -1.2221 | |
| 506 | Q | A | -1.6235 | |
| 507 | N | A | -1.3687 | |
| 508 | L | A | 0.0000 | |
| 509 | K | A | -0.6486 | |
| 510 | Y | A | 0.3144 | |
| 511 | Q | A | -0.6565 | |
| 512 | E | A | -0.9877 | |
| 513 | F | A | 0.2927 | |
| 514 | F | A | 1.2884 | |
| 515 | W | A | 0.6914 | |
| 516 | D | A | -1.0728 | |
| 517 | A | A | -0.8606 | |
| 518 | N | A | -1.5055 | |
| 519 | D | A | -1.4725 | |
| 520 | I | A | 0.0000 | |
| 521 | Y | A | 0.0000 | |
| 522 | R | A | 0.0000 | |
| 523 | I | A | -0.3196 | |
| 524 | F | A | 0.0000 | |
| 525 | A | A | -0.3454 | |
| 526 | E | A | -1.1766 | |
| 527 | L | A | 0.0000 | |
| 528 | E | A | -1.6735 | |
| 529 | G | A | -0.3643 | |
| 530 | V | A | 1.1750 | |
| 531 | W | A | 0.4300 | |
| 532 | Q | A | -0.1882 | |
| 533 | P | A | -0.7302 | |
| 534 | A | A | -0.6273 | |
| 535 | A | A | -0.8095 | |
| 536 | Q | A | -1.9295 | |
| 537 | P | A | -2.4194 | |
| 538 | K | A | -3.0927 | |
| 539 | R | A | -4.3879 | |
| 540 | R | A | -4.4603 | |
| 541 | R | A | -4.5781 | |
| 542 | H | A | -4.1843 | |
| 543 | R | A | -4.2888 | |
| 544 | Q | A | -3.2950 | |
| 545 | D | A | -2.6740 | |
| 546 | A | A | -0.8600 | |
| 547 | L | A | 0.5850 | |
| 548 | P | A | 0.0669 | |
| 549 | G | A | 0.1968 | |
| 550 | P | A | 0.5894 | |
| 551 | C | A | 1.4143 | |
| 552 | I | A | 2.1948 | |
| 553 | A | A | 1.0638 | |
| 554 | S | A | 0.1348 | |
| 555 | T | A | -0.6507 | |
| 556 | P | A | -1.7217 | |
| 557 | K | A | -3.1717 | |
| 558 | K | A | -3.6131 | |
| 559 | H | A | -3.3054 | |
| 560 | R | A | -3.1959 | |
| 561 | G | A | -1.8215 |
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 | -0.777 | 5.4952 | View | CSV | PDB |
| 4.5 | -0.8501 | 5.2951 | View | CSV | PDB |
| 5.0 | -0.9405 | 5.0621 | View | CSV | PDB |
| 5.5 | -1.0314 | 4.8154 | View | CSV | PDB |
| 6.0 | -1.1083 | 4.572 | View | CSV | PDB |
| 6.5 | -1.1639 | 4.3635 | View | CSV | PDB |
| 7.0 | -1.1995 | 4.3635 | View | CSV | PDB |
| 7.5 | -1.2216 | 4.3635 | View | CSV | PDB |
| 8.0 | -1.2359 | 4.3635 | View | CSV | PDB |
| 8.5 | -1.2429 | 4.3635 | View | CSV | PDB |
| 9.0 | -1.2398 | 4.3635 | 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