| Chain sequence(s) |
A: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSL
B: SSVLKTFERFTIQQELQEQSEDTPIPLETIRPTIRVFVINNNDPVVRSRLLFFNLRIIMSNTAREGHRAGALLSLLSLPSAAMSNHIKLAMHSPEASIDRVEITGFENNSFRVIPDARTSTMSRGEVLAFEALAEDIPDELTLNHQTPFVNLQNDVEDDIFDETEKFLDVCYSVLMQAWIVTCKCMTAPDQPPVSVAKRMAKYQQQGRINACRYVLQPEAQRLIQNAIRKSMVVRHFMTYELQLSQSRSLLANRYYAMVGDIGKYIEHSGMGGFFLTLKYGLGTRWPTLALAAFSGELQKLKALMLHYQSLGPMAKYMALLESPKLMDFVPSEYPLVYSYAMGIGTVLDTNMRNYAYGRSYLNPQYFQLGVETARKQQGAVDNRTAEDLGMTAADKADLTATISKLSL input PDB |
| Selected Chain(s) | A,B |
| 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 all 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 (00:17:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/e5a721391f06b06/tmp/folded.pdb (00:17:18)
[INFO] Main: Simulation completed successfully. (00:25:29)
|
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 | S | A | 0.0085 | |
| 2 | S | A | 0.6738 | |
| 3 | V | A | 2.0904 | |
| 4 | L | A | 1.7727 | |
| 5 | K | A | -0.2635 | |
| 6 | T | A | 0.4735 | |
| 7 | F | A | 1.0901 | |
| 8 | E | A | -0.3115 | |
| 9 | R | A | -1.0651 | |
| 10 | F | A | 0.6387 | |
| 11 | T | A | 0.0000 | |
| 12 | I | A | -0.7031 | |
| 13 | Q | A | -1.8865 | |
| 14 | Q | A | -2.1431 | |
| 15 | E | A | -1.8326 | |
| 16 | L | A | -1.6659 | |
| 17 | Q | A | -3.1527 | |
| 18 | E | A | -3.7290 | |
| 19 | Q | A | -3.2585 | |
| 20 | S | A | -3.0123 | |
| 21 | E | A | -3.1734 | |
| 22 | D | A | -2.9516 | |
| 23 | T | A | -1.8431 | |
| 24 | P | A | 0.0906 | |
| 25 | I | A | 1.3632 | |
| 26 | P | A | 0.8950 | |
| 27 | L | A | 1.2408 | |
| 28 | E | A | -0.8851 | |
| 29 | T | A | -0.3677 | |
| 30 | I | A | 0.5036 | |
| 31 | R | A | -1.6737 | |
| 32 | P | A | -1.1685 | |
| 33 | T | A | -1.2205 | |
| 34 | I | A | 0.0000 | |
| 35 | R | A | -1.6425 | |
| 36 | V | A | 0.0000 | |
| 37 | F | A | 0.0000 | |
| 38 | V | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | N | A | -2.3038 | |
| 41 | N | A | -2.6431 | |
| 42 | N | A | -2.3989 | |
| 43 | D | A | -1.8961 | |
| 44 | P | A | -0.9479 | |
| 45 | V | A | 0.1974 | |
| 46 | V | A | -0.2883 | |
| 47 | R | A | 0.0000 | |
| 48 | S | A | 0.0000 | |
| 49 | R | A | -0.2292 | |
| 50 | L | A | 0.0000 | |
| 51 | L | A | 0.0000 | |
| 52 | F | A | 0.0000 | |
| 53 | F | A | 0.0000 | |
| 54 | N | A | 0.0000 | |
| 55 | L | A | 0.0000 | |
| 56 | R | A | -0.8920 | |
| 57 | I | A | 0.0000 | |
| 58 | I | A | 0.0000 | |
| 59 | M | A | 0.0000 | |
| 60 | S | A | 0.0000 | |
| 61 | N | A | -2.0779 | |
| 62 | T | A | -1.4415 | |
| 63 | A | A | 0.0000 | |
| 64 | R | A | -3.1516 | |
| 65 | E | A | -3.4103 | |
| 66 | G | A | -2.3290 | |
| 67 | H | A | -1.8879 | |
| 68 | R | A | -1.9507 | |
| 69 | A | A | 0.0000 | |
| 70 | G | A | 0.0000 | |
| 71 | A | A | 0.0000 | |
| 72 | L | A | 0.0000 | |
| 73 | L | A | 0.0000 | |
| 74 | S | A | 0.0000 | |
| 75 | L | A | 0.0000 | |
| 76 | L | A | 0.0000 | |
| 77 | S | A | 0.0000 | |
| 78 | L | A | 0.0000 | |
| 79 | P | A | 0.0000 | |
| 80 | S | A | 0.0000 | |
| 81 | A | A | -1.5362 | |
| 82 | A | A | -1.2292 | |
| 83 | M | A | 0.0000 | |
| 84 | S | A | -1.3102 | |
| 85 | N | A | -1.4539 | |
| 86 | H | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | K | A | -1.8644 | |
| 89 | L | A | -0.7032 | |
| 90 | A | A | 0.0000 | |
| 91 | M | A | -0.7771 | |
| 92 | H | A | -1.1127 | |
| 93 | S | A | 0.0000 | |
| 94 | P | A | -1.4517 | |
| 95 | E | A | -1.8291 | |
| 96 | A | A | 0.0000 | |
| 97 | S | A | -1.2001 | |
| 98 | I | A | -1.5738 | |
| 99 | D | A | -2.0135 | |
| 100 | R | A | -1.9574 | |
| 101 | V | A | 0.0000 | |
| 102 | E | A | -1.0378 | |
| 103 | I | A | 0.0000 | |
| 104 | T | A | -0.4669 | |
| 105 | G | A | 0.0000 | |
| 106 | F | A | -0.9835 | |
| 107 | E | A | -2.2143 | |
| 108 | N | A | -2.6003 | |
| 109 | N | A | -2.4888 | |
| 110 | S | A | -1.9347 | |
| 111 | F | A | 0.0000 | |
| 112 | R | A | -1.2886 | |
| 113 | V | A | 0.0000 | |
| 114 | I | A | 0.1088 | |
| 115 | P | A | -0.3323 | |
| 116 | D | A | -0.8010 | |
| 117 | A | A | -0.8916 | |
| 118 | R | A | -1.9432 | |
| 119 | T | A | -1.1529 | |
| 120 | S | A | -0.7382 | |
| 121 | T | A | -0.8910 | |
| 122 | M | A | -0.6849 | |
| 123 | S | A | -1.2468 | |
| 124 | R | A | -2.0235 | |
| 125 | G | A | -1.4036 | |
| 126 | E | A | -1.0629 | |
| 127 | V | A | 0.0000 | |
| 128 | L | A | -0.3087 | |
| 129 | A | A | -0.4777 | |
| 130 | F | A | 0.0000 | |
| 131 | E | A | -0.7577 | |
| 132 | A | A | -0.6797 | |
| 133 | L | A | -1.0660 | |
| 134 | A | A | 0.0000 | |
| 135 | E | A | -2.3478 | |
| 136 | D | A | -2.0109 | |
| 137 | I | A | 0.0000 | |
| 138 | P | A | 0.0000 | |
| 139 | D | A | -2.6695 | |
| 140 | E | A | -2.7673 | |
| 141 | L | A | -0.3942 | |
| 142 | T | A | -0.9659 | |
| 143 | L | A | 0.0000 | |
| 144 | N | A | -2.4249 | |
| 145 | H | A | -2.3372 | |
| 146 | Q | A | -2.5707 | |
| 147 | T | A | 0.0000 | |
| 148 | P | A | 0.0000 | |
| 149 | F | A | 0.0000 | |
| 150 | V | A | 0.3672 | |
| 151 | N | A | -0.4862 | |
| 152 | L | A | 0.5515 | |
| 153 | Q | A | -1.2517 | |
| 154 | N | A | -2.3781 | |
| 155 | D | A | -2.3581 | |
| 156 | V | A | 0.0000 | |
| 157 | E | A | -1.4435 | |
| 158 | D | A | -2.3806 | |
| 159 | D | A | -1.1829 | |
| 160 | I | A | 0.7370 | |
| 161 | F | A | 0.0000 | |
| 162 | D | A | -1.4406 | |
| 163 | E | A | -1.3398 | |
| 164 | T | A | -1.4784 | |
| 165 | E | A | -1.8645 | |
| 166 | K | A | -1.4718 | |
| 167 | F | A | 0.0000 | |
| 168 | L | A | 0.0000 | |
| 169 | D | A | -0.8665 | |
| 170 | V | A | 0.0000 | |
| 171 | C | A | 0.0000 | |
| 172 | Y | A | 0.0000 | |
| 173 | S | A | 0.0000 | |
| 174 | V | A | 0.0000 | |
| 175 | L | A | 0.0000 | |
| 176 | M | A | 0.0000 | |
| 177 | Q | A | 0.0000 | |
| 178 | A | A | 0.0000 | |
| 179 | W | A | 0.0000 | |
| 180 | I | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | T | A | 0.0000 | |
| 183 | C | A | -0.2379 | |
| 184 | K | A | -1.1406 | |
| 185 | C | A | 0.0000 | |
| 186 | M | A | -1.0673 | |
| 187 | T | A | -0.9495 | |
| 188 | A | A | -1.3250 | |
| 189 | P | A | -1.9052 | |
| 190 | D | A | -2.7305 | |
| 191 | Q | A | -2.0597 | |
| 192 | P | A | -0.7396 | |
| 193 | P | A | -0.2326 | |
| 194 | V | A | 0.7357 | |
| 195 | S | A | -0.2012 | |
| 196 | V | A | -0.2298 | |
| 197 | A | A | -0.3671 | |
| 198 | K | A | -1.5662 | |
| 199 | R | A | -1.2555 | |
| 200 | M | A | 0.0000 | |
| 201 | A | A | -1.4632 | |
| 202 | K | A | -1.7355 | |
| 203 | Y | A | 0.0000 | |
| 204 | Q | A | -1.6600 | |
| 205 | Q | A | -2.0709 | |
| 206 | Q | A | -2.0084 | |
| 207 | G | A | -1.7219 | |
| 208 | R | A | 0.0000 | |
| 209 | I | A | 0.0000 | |
| 210 | N | A | -0.7847 | |
| 211 | A | A | -0.1841 | |
| 212 | C | A | 0.5086 | |
| 213 | R | A | -0.5340 | |
| 214 | Y | A | 0.0000 | |
| 215 | V | A | 0.1998 | |
| 216 | L | A | 0.0000 | |
| 217 | Q | A | 0.0000 | |
| 218 | P | A | -0.7888 | |
| 219 | E | A | -1.2518 | |
| 220 | A | A | 0.0000 | |
| 221 | Q | A | -1.2479 | |
| 222 | R | A | -2.2965 | |
| 223 | L | A | -1.1458 | |
| 224 | I | A | 0.0000 | |
| 225 | Q | A | -1.5105 | |
| 226 | N | A | -1.8614 | |
| 227 | A | A | 0.0000 | |
| 228 | I | A | 0.0000 | |
| 229 | R | A | -1.8933 | |
| 230 | K | A | -2.5471 | |
| 231 | S | A | 0.0000 | |
| 232 | M | A | -0.9733 | |
| 233 | V | A | 0.0000 | |
| 234 | V | A | 0.0000 | |
| 235 | R | A | 0.0000 | |
| 236 | H | A | -0.1734 | |
| 237 | F | A | 0.0000 | |
| 238 | M | A | 0.0000 | |
| 239 | T | A | 0.0000 | |
| 240 | Y | A | 0.2081 | |
| 241 | E | A | 0.0000 | |
| 242 | L | A | 0.0000 | |
| 243 | Q | A | -0.2074 | |
| 244 | L | A | 0.0000 | |
| 245 | S | A | -0.1217 | |
| 246 | Q | A | -0.6904 | |
| 247 | S | A | 0.0000 | |
| 248 | R | A | -2.0221 | |
| 249 | S | A | -0.6470 | |
| 250 | L | A | 0.0000 | |
| 251 | L | A | -0.3646 | |
| 252 | A | A | -0.4094 | |
| 253 | N | A | 0.0000 | |
| 254 | R | A | -0.5230 | |
| 255 | Y | A | 0.0000 | |
| 256 | Y | A | 0.0000 | |
| 257 | A | A | 0.0000 | |
| 258 | M | A | 0.0000 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | D | A | -0.4142 | |
| 262 | I | A | 0.0000 | |
| 263 | G | A | 0.0000 | |
| 264 | K | A | -0.7150 | |
| 265 | Y | A | -0.1313 | |
| 266 | I | A | 0.0000 | |
| 267 | E | A | 0.0000 | |
| 268 | H | A | -0.5287 | |
| 269 | S | A | -0.5746 | |
| 270 | G | A | -0.4906 | |
| 271 | M | A | 0.0000 | |
| 272 | G | A | -0.2859 | |
| 273 | G | A | -0.0732 | |
| 274 | F | A | 0.0000 | |
| 275 | F | A | 0.0721 | |
| 276 | L | A | 0.0547 | |
| 277 | T | A | 0.0000 | |
| 278 | L | A | 0.0000 | |
| 279 | K | A | -0.4746 | |
| 280 | Y | A | 0.0000 | |
| 281 | G | A | 0.0000 | |
| 282 | L | A | 0.0000 | |
| 283 | G | A | 0.0000 | |
| 284 | T | A | 0.0000 | |
| 285 | R | A | -0.5357 | |
| 286 | W | A | 0.0000 | |
| 287 | P | A | -0.2790 | |
| 288 | T | A | 0.0967 | |
| 289 | L | A | 0.0000 | |
| 290 | A | A | 0.2801 | |
| 291 | L | A | 0.6947 | |
| 292 | A | A | 0.3145 | |
| 293 | A | A | 0.2109 | |
| 294 | F | A | 0.0000 | |
| 295 | S | A | -0.2493 | |
| 296 | G | A | -0.5369 | |
| 297 | E | A | -0.6754 | |
| 298 | L | A | -0.2536 | |
| 299 | Q | A | -0.4175 | |
| 300 | K | A | -1.0792 | |
| 301 | L | A | 0.0000 | |
| 302 | K | A | 0.0000 | |
| 303 | A | A | 0.0000 | |
| 304 | L | A | 0.0000 | |
| 305 | M | A | 0.0000 | |
| 306 | L | A | 0.1413 | |
| 307 | H | A | 0.0000 | |
| 308 | Y | A | 0.0000 | |
| 309 | Q | A | -0.4950 | |
| 310 | S | A | -0.5767 | |
| 311 | L | A | -0.4196 | |
| 312 | G | A | -0.4175 | |
| 313 | P | A | -0.5666 | |
| 314 | M | A | 0.0209 | |
| 315 | A | A | 0.0000 | |
| 316 | K | A | -0.5312 | |
| 317 | Y | A | 0.0000 | |
| 318 | M | A | 0.0000 | |
| 319 | A | A | 0.0000 | |
| 320 | L | A | 0.0000 | |
| 321 | L | A | -0.7810 | |
| 322 | E | A | -1.7326 | |
| 323 | S | A | 0.0000 | |
| 324 | P | A | -0.7481 | |
| 325 | K | A | -0.8964 | |
| 326 | L | A | -0.3005 | |
| 327 | M | A | 0.1732 | |
| 328 | D | A | -0.7457 | |
| 329 | F | A | 0.0000 | |
| 330 | V | A | 0.0214 | |
| 331 | P | A | 0.0000 | |
| 332 | S | A | -0.5523 | |
| 333 | E | A | -0.9260 | |
| 334 | Y | A | 0.0000 | |
| 335 | P | A | -0.2815 | |
| 336 | L | A | -0.0269 | |
| 337 | V | A | 0.0000 | |
| 338 | Y | A | 0.0000 | |
| 339 | S | A | 0.0000 | |
| 340 | Y | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | M | A | 0.0000 | |
| 343 | G | A | 0.0000 | |
| 344 | I | A | 0.0000 | |
| 345 | G | A | 0.0000 | |
| 346 | T | A | 0.0000 | |
| 347 | V | A | -0.6146 | |
| 348 | L | A | 0.0000 | |
| 349 | D | A | -0.9212 | |
| 350 | T | A | -1.2458 | |
| 351 | N | A | -1.6751 | |
| 352 | M | A | 0.0000 | |
| 353 | R | A | -2.3603 | |
| 354 | N | A | -1.8472 | |
| 355 | Y | A | -0.2975 | |
| 356 | A | A | -0.3156 | |
| 357 | Y | A | -0.2935 | |
| 358 | G | A | -0.9656 | |
| 359 | R | A | -1.9071 | |
| 360 | S | A | -1.0232 | |
| 361 | Y | A | -0.5980 | |
| 362 | L | A | -0.5627 | |
| 363 | N | A | -0.7840 | |
| 364 | P | A | -0.9106 | |
| 365 | Q | A | -1.3130 | |
| 366 | Y | A | -0.5407 | |
| 367 | F | A | -0.4507 | |
| 368 | Q | A | -1.1963 | |
| 369 | L | A | -0.7331 | |
| 370 | G | A | 0.0000 | |
| 371 | V | A | -1.1866 | |
| 372 | E | A | -2.1409 | |
| 373 | T | A | 0.0000 | |
| 374 | A | A | 0.0000 | |
| 375 | R | A | -3.0598 | |
| 376 | K | A | -3.0730 | |
| 377 | Q | A | -1.8614 | |
| 378 | Q | A | -1.6772 | |
| 379 | G | A | -1.2595 | |
| 380 | A | A | -0.9622 | |
| 381 | V | A | -0.7493 | |
| 382 | D | A | -2.0335 | |
| 383 | N | A | -3.1291 | |
| 384 | R | A | -3.6884 | |
| 385 | T | A | -2.9045 | |
| 386 | A | A | 0.0000 | |
| 387 | E | A | -3.8967 | |
| 388 | D | A | -3.6829 | |
| 389 | L | A | -2.3678 | |
| 390 | G | A | -2.5748 | |
| 391 | M | A | -1.6260 | |
| 392 | T | A | -0.7668 | |
| 393 | A | A | -0.4830 | |
| 394 | A | A | -0.7097 | |
| 395 | D | A | -1.2480 | |
| 396 | K | A | -1.2731 | |
| 397 | A | A | -1.0174 | |
| 398 | D | A | -1.8080 | |
| 399 | L | A | 0.0000 | |
| 400 | T | A | -0.9491 | |
| 401 | A | A | -1.1060 | |
| 402 | T | A | -1.3283 | |
| 403 | I | A | 0.0000 | |
| 404 | S | A | -1.0068 | |
| 405 | K | A | -1.2136 | |
| 406 | L | A | -0.5277 | |
| 407 | S | A | -0.4958 | |
| 408 | L | A | 1.0037 | |
| 1 | S | B | -0.5827 | |
| 2 | S | B | -0.7585 | |
| 3 | V | B | -0.6231 | |
| 4 | L | B | -1.0571 | |
| 5 | K | B | -2.4688 | |
| 6 | T | B | -1.7280 | |
| 7 | F | B | 0.0000 | |
| 8 | E | B | -3.0257 | |
| 9 | R | B | -3.0226 | |
| 10 | F | B | 0.0000 | |
| 11 | T | B | 0.0000 | |
| 12 | I | B | -1.4565 | |
| 13 | Q | B | -1.7519 | |
| 14 | Q | B | -1.3808 | |
| 15 | E | B | -0.5851 | |
| 16 | L | B | -0.4728 | |
| 17 | Q | B | -1.7302 | |
| 18 | E | B | -1.7180 | |
| 19 | Q | B | -1.9234 | |
| 20 | S | B | -2.1573 | |
| 21 | E | B | -2.9257 | |
| 22 | D | B | -2.6475 | |
| 23 | T | B | -1.6051 | |
| 24 | P | B | -0.1168 | |
| 25 | I | B | 1.0470 | |
| 26 | P | B | 0.3522 | |
| 27 | L | B | -0.2795 | |
| 28 | E | B | -1.7837 | |
| 29 | T | B | 0.0000 | |
| 30 | I | B | 0.0000 | |
| 31 | R | B | -2.4534 | |
| 32 | P | B | -1.4045 | |
| 33 | T | B | -1.1228 | |
| 34 | I | B | 0.0000 | |
| 35 | R | B | -1.3051 | |
| 36 | V | B | 0.0000 | |
| 37 | F | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | I | B | 0.0000 | |
| 40 | N | B | -2.3706 | |
| 41 | N | B | -2.6834 | |
| 42 | N | B | -2.3226 | |
| 43 | D | B | -2.0003 | |
| 44 | P | B | -1.4529 | |
| 45 | V | B | 0.0623 | |
| 46 | V | B | -0.1860 | |
| 47 | R | B | 0.0000 | |
| 48 | S | B | 0.0000 | |
| 49 | R | B | -0.0018 | |
| 50 | L | B | 0.0000 | |
| 51 | L | B | 0.0000 | |
| 52 | F | B | 0.0000 | |
| 53 | F | B | 0.0000 | |
| 54 | N | B | 0.0000 | |
| 55 | L | B | 0.0000 | |
| 56 | R | B | -0.9044 | |
| 57 | I | B | 0.0000 | |
| 58 | I | B | 0.0000 | |
| 59 | M | B | 0.0000 | |
| 60 | S | B | 0.0000 | |
| 61 | N | B | -1.9960 | |
| 62 | T | B | -1.2996 | |
| 63 | A | B | 0.0000 | |
| 64 | R | B | -2.6073 | |
| 65 | E | B | -2.8518 | |
| 66 | G | B | -1.8434 | |
| 67 | H | B | -1.4493 | |
| 68 | R | B | -1.5843 | |
| 69 | A | B | 0.0000 | |
| 70 | G | B | 0.0000 | |
| 71 | A | B | 0.0000 | |
| 72 | L | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | S | B | 0.0000 | |
| 75 | L | B | 0.0000 | |
| 76 | L | B | 0.0000 | |
| 77 | S | B | 0.0000 | |
| 78 | L | B | 0.0000 | |
| 79 | P | B | -0.0912 | |
| 80 | S | B | -0.3826 | |
| 81 | A | B | -0.8291 | |
| 82 | A | B | -1.0576 | |
| 83 | M | B | 0.0000 | |
| 84 | S | B | -1.4090 | |
| 85 | N | B | -1.6388 | |
| 86 | H | B | -0.9633 | |
| 87 | I | B | 0.0000 | |
| 88 | K | B | -1.5107 | |
| 89 | L | B | -0.5601 | |
| 90 | A | B | 0.0000 | |
| 91 | M | B | -0.3477 | |
| 92 | H | B | -0.8566 | |
| 93 | S | B | 0.0000 | |
| 94 | P | B | -1.1424 | |
| 95 | E | B | -1.2732 | |
| 96 | A | B | 0.0000 | |
| 97 | S | B | -1.0983 | |
| 98 | I | B | 0.0000 | |
| 99 | D | B | -1.4814 | |
| 100 | R | B | -1.8311 | |
| 101 | V | B | 0.0000 | |
| 102 | E | B | -1.2020 | |
| 103 | I | B | 0.0000 | |
| 104 | T | B | -0.4766 | |
| 105 | G | B | 0.0000 | |
| 106 | F | B | -0.8398 | |
| 107 | E | B | -1.9403 | |
| 108 | N | B | -2.4667 | |
| 109 | N | B | -2.4283 | |
| 110 | S | B | -1.8680 | |
| 111 | F | B | 0.0000 | |
| 112 | R | B | -1.2523 | |
| 113 | V | B | 0.0000 | |
| 114 | I | B | 0.0780 | |
| 115 | P | B | -0.4341 | |
| 116 | D | B | -0.8947 | |
| 117 | A | B | -0.9295 | |
| 118 | R | B | -1.9772 | |
| 119 | T | B | -1.2326 | |
| 120 | S | B | -0.8210 | |
| 121 | T | B | -0.8508 | |
| 122 | M | B | -0.7183 | |
| 123 | S | B | -1.2599 | |
| 124 | R | B | -2.0490 | |
| 125 | G | B | -1.4313 | |
| 126 | E | B | -1.1175 | |
| 127 | V | B | 0.0000 | |
| 128 | L | B | -0.3318 | |
| 129 | A | B | -0.4983 | |
| 130 | F | B | 0.0000 | |
| 131 | E | B | -0.7893 | |
| 132 | A | B | -0.7013 | |
| 133 | L | B | -1.0153 | |
| 134 | A | B | 0.0000 | |
| 135 | E | B | -2.3621 | |
| 136 | D | B | -1.9857 | |
| 137 | I | B | 0.0000 | |
| 138 | P | B | 0.0000 | |
| 139 | D | B | -2.3904 | |
| 140 | E | B | -2.6309 | |
| 141 | L | B | -0.2992 | |
| 142 | T | B | -0.8633 | |
| 143 | L | B | 0.0000 | |
| 144 | N | B | -2.3785 | |
| 145 | H | B | -2.2730 | |
| 146 | Q | B | -2.4760 | |
| 147 | T | B | 0.0000 | |
| 148 | P | B | 0.0000 | |
| 149 | F | B | 0.0000 | |
| 150 | V | B | 0.3595 | |
| 151 | N | B | -0.4296 | |
| 152 | L | B | 0.6039 | |
| 153 | Q | B | -1.2082 | |
| 154 | N | B | -2.1973 | |
| 155 | D | B | -2.0638 | |
| 156 | V | B | 0.0000 | |
| 157 | E | B | 0.0000 | |
| 158 | D | B | -2.0499 | |
| 159 | D | B | -0.6865 | |
| 160 | I | B | 0.7119 | |
| 161 | F | B | 0.0000 | |
| 162 | D | B | -2.2733 | |
| 163 | E | B | -3.1633 | |
| 164 | T | B | -2.6014 | |
| 165 | E | B | -3.0143 | |
| 166 | K | B | -2.2602 | |
| 167 | F | B | 0.0000 | |
| 168 | L | B | -1.0981 | |
| 169 | D | B | -1.4018 | |
| 170 | V | B | 0.0000 | |
| 171 | C | B | 0.0000 | |
| 172 | Y | B | -0.3441 | |
| 173 | S | B | 0.0000 | |
| 174 | V | B | 0.0000 | |
| 175 | L | B | 0.0000 | |
| 176 | M | B | 0.0000 | |
| 177 | Q | B | 0.0000 | |
| 178 | A | B | 0.0000 | |
| 179 | W | B | 0.0000 | |
| 180 | I | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | T | B | 0.0000 | |
| 183 | C | B | -0.2835 | |
| 184 | K | B | -0.9057 | |
| 185 | C | B | 0.0000 | |
| 186 | M | B | -0.8896 | |
| 187 | T | B | -0.7555 | |
| 188 | A | B | -1.1283 | |
| 189 | P | B | -1.7409 | |
| 190 | D | B | -2.5055 | |
| 191 | Q | B | -1.5537 | |
| 192 | P | B | -0.4973 | |
| 193 | P | B | -0.0174 | |
| 194 | V | B | 1.0834 | |
| 195 | S | B | 0.0439 | |
| 196 | V | B | -0.0580 | |
| 197 | A | B | -0.2741 | |
| 198 | K | B | -1.4953 | |
| 199 | R | B | -1.1785 | |
| 200 | M | B | 0.0000 | |
| 201 | A | B | -1.5494 | |
| 202 | K | B | -2.0832 | |
| 203 | Y | B | 0.0000 | |
| 204 | Q | B | -2.0550 | |
| 205 | Q | B | -2.4226 | |
| 206 | Q | B | -2.3390 | |
| 207 | G | B | -2.0083 | |
| 208 | R | B | -2.0954 | |
| 209 | I | B | 0.0000 | |
| 210 | N | B | -0.9465 | |
| 211 | A | B | -0.2190 | |
| 212 | C | B | 0.6564 | |
| 213 | R | B | -0.2464 | |
| 214 | Y | B | 0.0000 | |
| 215 | V | B | 0.2913 | |
| 216 | L | B | 0.0000 | |
| 217 | Q | B | 0.0000 | |
| 218 | P | B | -0.7842 | |
| 219 | E | B | -1.2362 | |
| 220 | A | B | 0.0000 | |
| 221 | Q | B | -1.2104 | |
| 222 | R | B | -2.2538 | |
| 223 | L | B | -1.0612 | |
| 224 | I | B | 0.0000 | |
| 225 | Q | B | -1.3467 | |
| 226 | N | B | -1.5993 | |
| 227 | A | B | 0.0000 | |
| 228 | I | B | 0.0000 | |
| 229 | R | B | -1.5057 | |
| 230 | K | B | -2.4343 | |
| 231 | S | B | 0.0000 | |
| 232 | M | B | 0.0000 | |
| 233 | V | B | 0.0000 | |
| 234 | V | B | 0.0000 | |
| 235 | R | B | 0.0000 | |
| 236 | H | B | 0.0000 | |
| 237 | F | B | 0.0000 | |
| 238 | M | B | 0.0000 | |
| 239 | T | B | 0.0000 | |
| 240 | Y | B | 0.1737 | |
| 241 | E | B | 0.0000 | |
| 242 | L | B | 0.0000 | |
| 243 | Q | B | -0.3970 | |
| 244 | L | B | -0.0149 | |
| 245 | S | B | -0.6387 | |
| 246 | Q | B | -0.9076 | |
| 247 | S | B | -0.8001 | |
| 248 | R | B | -1.4479 | |
| 249 | S | B | 0.0956 | |
| 250 | L | B | 1.5610 | |
| 251 | L | B | 1.5414 | |
| 252 | A | B | 0.0265 | |
| 253 | N | B | -1.3684 | |
| 254 | R | B | -1.9006 | |
| 255 | Y | B | 0.0000 | |
| 256 | Y | B | -0.6569 | |
| 257 | A | B | -0.6450 | |
| 258 | M | B | 0.0000 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | -1.1047 | |
| 261 | D | B | -1.3953 | |
| 262 | I | B | 0.0000 | |
| 263 | G | B | 0.0000 | |
| 264 | K | B | -1.9133 | |
| 265 | Y | B | -0.7503 | |
| 266 | I | B | 0.0000 | |
| 267 | E | B | -0.9876 | |
| 268 | H | B | -0.8087 | |
| 269 | S | B | -0.7744 | |
| 270 | G | B | -0.5829 | |
| 271 | M | B | 0.0000 | |
| 272 | G | B | -0.2379 | |
| 273 | G | B | -0.1038 | |
| 274 | F | B | 0.0000 | |
| 275 | F | B | 0.0817 | |
| 276 | L | B | -0.2078 | |
| 277 | T | B | 0.0000 | |
| 278 | L | B | -0.4419 | |
| 279 | K | B | -1.5617 | |
| 280 | Y | B | 0.0000 | |
| 281 | G | B | 0.0000 | |
| 282 | L | B | -0.7384 | |
| 283 | G | B | -1.2720 | |
| 284 | T | B | -1.2402 | |
| 285 | R | B | -2.3834 | |
| 286 | W | B | -1.0419 | |
| 287 | P | B | -1.2407 | |
| 288 | T | B | 0.0000 | |
| 289 | L | B | 0.0000 | |
| 290 | A | B | 0.0000 | |
| 291 | L | B | 0.0000 | |
| 292 | A | B | 0.0000 | |
| 293 | A | B | 0.0000 | |
| 294 | F | B | 0.0000 | |
| 295 | S | B | -0.4365 | |
| 296 | G | B | -0.6313 | |
| 297 | E | B | 0.0000 | |
| 298 | L | B | -0.2846 | |
| 299 | Q | B | -0.8884 | |
| 300 | K | B | -1.0154 | |
| 301 | L | B | 0.0000 | |
| 302 | K | B | -1.1547 | |
| 303 | A | B | 0.0000 | |
| 304 | L | B | 0.0000 | |
| 305 | M | B | -0.0804 | |
| 306 | L | B | 0.0835 | |
| 307 | H | B | 0.0000 | |
| 308 | Y | B | -0.3471 | |
| 309 | Q | B | -0.9444 | |
| 310 | S | B | -0.6073 | |
| 311 | L | B | 0.0000 | |
| 312 | G | B | -0.5894 | |
| 313 | P | B | -0.6456 | |
| 314 | M | B | -0.3302 | |
| 315 | A | B | 0.0000 | |
| 316 | K | B | -1.0032 | |
| 317 | Y | B | 0.0000 | |
| 318 | M | B | 0.0000 | |
| 319 | A | B | 0.0000 | |
| 320 | L | B | 0.0000 | |
| 321 | L | B | 0.0000 | |
| 322 | E | B | -0.4352 | |
| 323 | S | B | 0.0000 | |
| 324 | P | B | -0.3387 | |
| 325 | K | B | -0.2211 | |
| 326 | L | B | 0.0650 | |
| 327 | M | B | 0.0476 | |
| 328 | D | B | -0.2470 | |
| 329 | F | B | 0.0000 | |
| 330 | V | B | 0.1140 | |
| 331 | P | B | 0.0000 | |
| 332 | S | B | -0.6807 | |
| 333 | E | B | -0.7336 | |
| 334 | Y | B | 0.0000 | |
| 335 | P | B | 0.0000 | |
| 336 | L | B | 0.0000 | |
| 337 | V | B | 0.0000 | |
| 338 | Y | B | 0.0000 | |
| 339 | S | B | 0.0000 | |
| 340 | Y | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | M | B | 0.0000 | |
| 343 | G | B | 0.0000 | |
| 344 | I | B | 0.0000 | |
| 345 | G | B | 0.0000 | |
| 346 | T | B | 0.0000 | |
| 347 | V | B | -0.2492 | |
| 348 | L | B | 0.1480 | |
| 349 | D | B | -0.5285 | |
| 350 | T | B | -1.2024 | |
| 351 | N | B | -1.9875 | |
| 352 | M | B | 0.0000 | |
| 353 | R | B | -2.4193 | |
| 354 | N | B | -1.9819 | |
| 355 | Y | B | -0.4688 | |
| 356 | A | B | -0.3854 | |
| 357 | Y | B | -0.3783 | |
| 358 | G | B | -1.0243 | |
| 359 | R | B | -1.9627 | |
| 360 | S | B | -1.2531 | |
| 361 | Y | B | 0.0000 | |
| 362 | L | B | -0.7709 | |
| 363 | N | B | -0.8812 | |
| 364 | P | B | -0.8117 | |
| 365 | Q | B | -1.1341 | |
| 366 | Y | B | 0.0000 | |
| 367 | F | B | -0.3835 | |
| 368 | Q | B | -0.8696 | |
| 369 | L | B | 0.0000 | |
| 370 | G | B | 0.0000 | |
| 371 | V | B | -0.8800 | |
| 372 | E | B | -1.9418 | |
| 373 | T | B | 0.0000 | |
| 374 | A | B | 0.0000 | |
| 375 | R | B | -2.9363 | |
| 376 | K | B | -2.6601 | |
| 377 | Q | B | -2.1974 | |
| 378 | Q | B | -2.1704 | |
| 379 | G | B | -1.3961 | |
| 380 | A | B | -1.2809 | |
| 381 | V | B | -1.6021 | |
| 382 | D | B | -3.4342 | |
| 383 | N | B | -3.4125 | |
| 384 | R | B | -3.8610 | |
| 385 | T | B | -2.7134 | |
| 386 | A | B | 0.0000 | |
| 387 | E | B | -3.5253 | |
| 388 | D | B | -2.8802 | |
| 389 | L | B | -0.5363 | |
| 390 | G | B | -1.3709 | |
| 391 | M | B | -1.2058 | |
| 392 | T | B | -0.7498 | |
| 393 | A | B | -0.5608 | |
| 394 | A | B | -0.8776 | |
| 395 | D | B | -1.5185 | |
| 396 | K | B | -1.3751 | |
| 397 | A | B | -1.0041 | |
| 398 | D | B | -1.8655 | |
| 399 | L | B | -0.6507 | |
| 400 | T | B | -0.6860 | |
| 401 | A | B | -0.8069 | |
| 402 | T | B | -0.5032 | |
| 403 | I | B | -0.0254 | |
| 404 | S | B | -0.4609 | |
| 405 | K | B | -0.4593 | |
| 406 | L | B | 1.1400 | |
| 407 | S | B | 0.3480 | |
| 408 | L | B | 1.4290 |
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 | -0.5349 | 4.9767 | View | CSV | PDB |
| 4.5 | -0.5881 | 4.8454 | View | CSV | PDB |
| 5.0 | -0.6544 | 4.6696 | View | CSV | PDB |
| 5.5 | -0.7231 | 4.4747 | View | CSV | PDB |
| 6.0 | -0.7826 | 4.2835 | View | CSV | PDB |
| 6.5 | -0.8246 | 4.1702 | View | CSV | PDB |
| 7.0 | -0.8477 | 4.1246 | View | CSV | PDB |
| 7.5 | -0.8568 | 4.1054 | View | CSV | PDB |
| 8.0 | -0.8569 | 4.0986 | View | CSV | PDB |
| 8.5 | -0.8497 | 4.0963 | View | CSV | PDB |
| 9.0 | -0.8344 | 4.0956 | 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