| Chain sequence(s) |
A: EPVYPDQLRLFSLGQGVCGDKYRPVNREEAQSVKSNIVGMMGQWQISGLANGWVIMGPGYNGEIKPGTASNTWCYPTNPVTGEIPTLSALDIPDGDEVDVQWRLVHDSANFIKPTSYLAHYLGYAWVGGNHSQYVGEDMDVTRDGDGWVIRGNNDGGCDGYRCGDKTAIKVSNFAYNLDPDSFKHGDVTQSDRQLVKTVVGWAVNDPQSGYDVTLRYDTATNWSKTNTYGLSEKVTTKNKFKWPLVGETELSIEIAANQSWASQNGGSTTTSLSQSVRPTVPARSKIPVKIELYKADISYPYEFKADVSYDLTLSGFLRWGGNAWYTHPDNRPNWNHTFVIGPYKDKASSIRYQWDKRYIPGEVKWWDWNWTIQQNGLSTMQNNLARVLRPVRAGITGDFSAESQFAGNIEIGAPVPLGLRLEIPLDAQELSGLGFNNVSLSVTPAANQ
B: EPVYPDQLRLFSLGQGVCGDKYRPVNREEAQSVKSNIVGMMGQWQISGLANGWVIMGPGYNGEIKPGTASNTWCYPTNPVTGEIPTLSALDIPDGDEVDVQWRLVHDSANFIKPTSYLAHYLGYAWVGGNHSQYVGEDMDVTRDGDGWVIRGNNDGGCDGYRCGDKTAIKVSNFAYNLDPDSFKHGDVTQSDRQLVKTVVGWAVNDSDTPQSGYDVTLRYDTATNWSKTNTYGLSEKVTTKNKFKWPLVGETELSIEIAANQSWASQNGGSTTTSLSQSVRPTVPARSKIPVKIELYKADISYPYEFKADVSYDLTLSGFLRWGGNAWYTHPDNRPNWNHTFVIGPYKDKASSIRYQWDKRYIPGEVKWWDWNWTIQQNGLSTMQNNLARVLRPVRAGITGDFSAESQFAGNIEIGAPVPLAALRLEIPLDAQELSGLGFNNVSLSVTPAA 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] (00:00:01)
[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 all 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 (00:00:04)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:16:52)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/b13ba9ce04a05ad/tmp/folded.pdb (00:16:52)
[INFO] Main: Simulation completed successfully. (00:24:32)
|
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 |
|---|---|---|---|---|
| 2 | E | A | -1.9067 | |
| 3 | P | A | -1.0712 | |
| 4 | V | A | -0.4215 | |
| 5 | Y | A | -0.3402 | |
| 6 | P | A | -0.6217 | |
| 7 | D | A | -0.9442 | |
| 8 | Q | A | -0.4434 | |
| 9 | L | A | 0.0000 | |
| 10 | R | A | -0.5401 | |
| 11 | L | A | 0.0000 | |
| 12 | F | A | 0.3846 | |
| 13 | S | A | 0.3497 | |
| 14 | L | A | 0.6121 | |
| 15 | G | A | -0.3868 | |
| 16 | Q | A | -1.2909 | |
| 17 | G | A | -0.7287 | |
| 18 | V | A | 0.3723 | |
| 19 | C | A | -0.4075 | |
| 20 | G | A | -0.9114 | |
| 21 | D | A | -2.5199 | |
| 22 | K | A | -2.9022 | |
| 23 | Y | A | -1.6445 | |
| 24 | R | A | -1.2253 | |
| 25 | P | A | -0.6827 | |
| 26 | V | A | 0.0000 | |
| 27 | N | A | -2.0867 | |
| 28 | R | A | -2.8237 | |
| 29 | E | A | -2.9268 | |
| 30 | E | A | -2.1636 | |
| 31 | A | A | 0.0000 | |
| 32 | Q | A | -2.4389 | |
| 33 | S | A | -1.4618 | |
| 34 | V | A | -0.9497 | |
| 35 | K | A | -1.6694 | |
| 36 | S | A | -1.0528 | |
| 37 | N | A | -1.3905 | |
| 38 | I | A | 0.0000 | |
| 39 | V | A | -0.7498 | |
| 40 | G | A | -0.8975 | |
| 41 | M | A | -0.5381 | |
| 42 | M | A | 0.0000 | |
| 43 | G | A | 0.0000 | |
| 44 | Q | A | -0.4690 | |
| 45 | W | A | -0.0351 | |
| 46 | Q | A | 0.0000 | |
| 47 | I | A | 0.4117 | |
| 48 | S | A | 0.0000 | |
| 49 | G | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | A | A | -1.5560 | |
| 52 | N | A | -1.8985 | |
| 53 | G | A | -1.5591 | |
| 54 | W | A | -1.1385 | |
| 55 | V | A | 0.0000 | |
| 56 | I | A | 0.0000 | |
| 57 | M | A | -0.4433 | |
| 58 | G | A | 0.0000 | |
| 59 | P | A | -0.6851 | |
| 60 | G | A | -0.5640 | |
| 61 | Y | A | -1.0712 | |
| 62 | N | A | -1.4673 | |
| 63 | G | A | 0.0000 | |
| 64 | E | A | -2.0416 | |
| 65 | I | A | 0.0000 | |
| 66 | K | A | -1.5243 | |
| 67 | P | A | -1.2207 | |
| 68 | G | A | -0.6436 | |
| 69 | T | A | -0.7910 | |
| 70 | A | A | -0.5774 | |
| 71 | S | A | -0.5702 | |
| 72 | N | A | -0.1889 | |
| 73 | T | A | 0.0000 | |
| 74 | W | A | 0.0000 | |
| 75 | C | A | 0.0000 | |
| 76 | Y | A | 0.0000 | |
| 77 | P | A | 0.0000 | |
| 78 | T | A | -1.5561 | |
| 79 | N | A | -1.7048 | |
| 80 | P | A | -0.7787 | |
| 81 | V | A | 0.0487 | |
| 82 | T | A | -0.4038 | |
| 83 | G | A | -0.1581 | |
| 84 | E | A | -0.3804 | |
| 85 | I | A | 0.0000 | |
| 86 | P | A | -0.4166 | |
| 87 | T | A | -0.2648 | |
| 88 | L | A | 0.0365 | |
| 89 | S | A | -0.0468 | |
| 90 | A | A | -0.3667 | |
| 91 | L | A | -0.7339 | |
| 92 | D | A | -1.8347 | |
| 93 | I | A | 0.0000 | |
| 94 | P | A | -1.1399 | |
| 95 | D | A | -0.8089 | |
| 96 | G | A | 0.0000 | |
| 97 | D | A | -1.0406 | |
| 98 | E | A | -0.9739 | |
| 99 | V | A | -0.2448 | |
| 100 | D | A | -1.0868 | |
| 101 | V | A | 0.0000 | |
| 102 | Q | A | 0.0000 | |
| 103 | W | A | -0.1786 | |
| 104 | R | A | -0.8650 | |
| 105 | L | A | 0.0000 | |
| 106 | V | A | 0.0000 | |
| 107 | H | A | -0.8201 | |
| 108 | D | A | -0.9328 | |
| 109 | S | A | -0.7265 | |
| 110 | A | A | -0.6808 | |
| 111 | N | A | -0.8061 | |
| 112 | F | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | K | A | -0.4922 | |
| 115 | P | A | 0.0000 | |
| 116 | T | A | 0.0000 | |
| 117 | S | A | 0.0000 | |
| 118 | Y | A | 0.0151 | |
| 119 | L | A | 0.0000 | |
| 120 | A | A | 0.0000 | |
| 121 | H | A | -0.3824 | |
| 122 | Y | A | -0.1544 | |
| 123 | L | A | 0.0000 | |
| 124 | G | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | A | A | 0.0000 | |
| 127 | W | A | -0.3956 | |
| 128 | V | A | 0.0000 | |
| 129 | G | A | -1.0610 | |
| 130 | G | A | 0.0000 | |
| 131 | N | A | -2.2262 | |
| 132 | H | A | -2.0774 | |
| 133 | S | A | -1.2582 | |
| 134 | Q | A | -1.1263 | |
| 135 | Y | A | -0.4442 | |
| 136 | V | A | -0.1440 | |
| 137 | G | A | 0.0000 | |
| 138 | E | A | -1.2078 | |
| 139 | D | A | -1.6692 | |
| 140 | M | A | -1.3628 | |
| 141 | D | A | -1.3933 | |
| 142 | V | A | -0.7270 | |
| 143 | T | A | -0.9771 | |
| 144 | R | A | -1.5868 | |
| 145 | D | A | -2.7690 | |
| 146 | G | A | -2.3239 | |
| 147 | D | A | -2.6554 | |
| 148 | G | A | 0.0000 | |
| 149 | W | A | 0.0000 | |
| 150 | V | A | -0.8833 | |
| 151 | I | A | 0.0000 | |
| 152 | R | A | -1.3942 | |
| 153 | G | A | 0.0000 | |
| 154 | N | A | -2.2806 | |
| 155 | N | A | -2.9141 | |
| 156 | D | A | -2.8885 | |
| 157 | G | A | -1.9998 | |
| 158 | G | A | -1.6075 | |
| 159 | C | A | -1.1777 | |
| 160 | D | A | -1.5952 | |
| 161 | G | A | -0.6254 | |
| 162 | Y | A | 0.4530 | |
| 163 | R | A | -0.6431 | |
| 164 | C | A | 0.0000 | |
| 165 | G | A | -1.6893 | |
| 166 | D | A | -1.4164 | |
| 167 | K | A | -1.2002 | |
| 168 | T | A | 0.0000 | |
| 169 | A | A | -0.7765 | |
| 170 | I | A | 0.0000 | |
| 171 | K | A | -1.0641 | |
| 172 | V | A | 0.0000 | |
| 173 | S | A | -1.5700 | |
| 174 | N | A | -1.5604 | |
| 175 | F | A | -0.8913 | |
| 176 | A | A | -0.6518 | |
| 177 | Y | A | 0.0000 | |
| 178 | N | A | -1.6090 | |
| 179 | L | A | 0.0000 | |
| 180 | D | A | -1.7538 | |
| 181 | P | A | -1.8597 | |
| 182 | D | A | -2.0274 | |
| 183 | S | A | -1.4275 | |
| 184 | F | A | -1.0662 | |
| 185 | K | A | -1.4965 | |
| 186 | H | A | -1.4516 | |
| 187 | G | A | -1.5989 | |
| 188 | D | A | -1.7578 | |
| 189 | V | A | -0.6132 | |
| 190 | T | A | -0.7186 | |
| 191 | Q | A | -1.2539 | |
| 192 | S | A | -1.4017 | |
| 193 | D | A | -1.9543 | |
| 194 | R | A | -1.7855 | |
| 195 | Q | A | -0.5577 | |
| 196 | L | A | 0.7010 | |
| 197 | V | A | 0.4609 | |
| 198 | K | A | 0.0081 | |
| 199 | T | A | 0.2531 | |
| 200 | V | A | 0.0000 | |
| 201 | V | A | 1.3841 | |
| 202 | G | A | 0.5353 | |
| 203 | W | A | -0.1129 | |
| 204 | A | A | 0.0000 | |
| 205 | V | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | D | A | -3.0200 | |
| 211 | P | A | -1.1494 | |
| 212 | Q | A | -1.1517 | |
| 213 | S | A | -0.7986 | |
| 214 | G | A | -0.9806 | |
| 215 | Y | A | -0.3105 | |
| 216 | D | A | -0.2662 | |
| 217 | V | A | 0.0000 | |
| 218 | T | A | -0.5277 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.2356 | |
| 221 | Y | A | 0.0000 | |
| 222 | D | A | -1.2760 | |
| 223 | T | A | 0.0000 | |
| 224 | A | A | -0.8844 | |
| 225 | T | A | 0.0000 | |
| 226 | N | A | -1.2046 | |
| 227 | W | A | -0.9141 | |
| 228 | S | A | -1.1491 | |
| 229 | K | A | 0.0000 | |
| 230 | T | A | -0.9640 | |
| 231 | N | A | -0.7875 | |
| 232 | T | A | -0.0742 | |
| 233 | Y | A | 0.4902 | |
| 234 | G | A | -0.7614 | |
| 235 | L | A | 0.0000 | |
| 236 | S | A | 0.0000 | |
| 237 | E | A | -2.7305 | |
| 238 | K | A | -2.5558 | |
| 239 | V | A | 0.0000 | |
| 240 | T | A | -2.3767 | |
| 241 | T | A | 0.0000 | |
| 242 | K | A | -3.2666 | |
| 243 | N | A | -3.1980 | |
| 244 | K | A | -3.6727 | |
| 245 | F | A | -2.7403 | |
| 246 | K | A | -2.4737 | |
| 247 | W | A | 0.0000 | |
| 248 | P | A | -0.3311 | |
| 249 | L | A | 0.6369 | |
| 250 | V | A | -0.1600 | |
| 251 | G | A | -1.4801 | |
| 252 | E | A | -2.2174 | |
| 253 | T | A | 0.0000 | |
| 254 | E | A | -2.1458 | |
| 255 | L | A | -1.2274 | |
| 256 | S | A | -1.1655 | |
| 257 | I | A | 0.0000 | |
| 258 | E | A | -2.8368 | |
| 259 | I | A | 0.0000 | |
| 260 | A | A | -2.3733 | |
| 261 | A | A | -2.7749 | |
| 262 | N | A | -2.8044 | |
| 263 | Q | A | -2.7221 | |
| 264 | S | A | -2.1161 | |
| 265 | W | A | 0.0000 | |
| 266 | A | A | -1.3836 | |
| 267 | S | A | -1.3360 | |
| 268 | Q | A | -1.4000 | |
| 269 | N | A | -1.1632 | |
| 270 | G | A | -1.1657 | |
| 271 | G | A | -0.9340 | |
| 272 | S | A | -0.8128 | |
| 273 | T | A | -0.6772 | |
| 274 | T | A | -0.4409 | |
| 275 | T | A | -0.0671 | |
| 276 | S | A | -0.7225 | |
| 277 | L | A | -0.0993 | |
| 278 | S | A | -0.9249 | |
| 279 | Q | A | -0.9264 | |
| 280 | S | A | -0.6972 | |
| 281 | V | A | -0.2005 | |
| 282 | R | A | -0.5299 | |
| 283 | P | A | 0.0000 | |
| 284 | T | A | -0.4984 | |
| 285 | V | A | 0.0000 | |
| 286 | P | A | -1.0472 | |
| 287 | A | A | -1.6231 | |
| 288 | R | A | -2.6508 | |
| 289 | S | A | 0.0000 | |
| 290 | K | A | -1.2111 | |
| 291 | I | A | 0.0000 | |
| 292 | P | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | K | A | 0.2932 | |
| 295 | I | A | 0.0000 | |
| 296 | E | A | -0.2863 | |
| 297 | L | A | 0.0000 | |
| 298 | Y | A | -0.3402 | |
| 299 | K | A | -1.1815 | |
| 300 | A | A | 0.0000 | |
| 301 | D | A | -2.0567 | |
| 302 | I | A | 0.0000 | |
| 303 | S | A | -1.0572 | |
| 304 | Y | A | 0.0000 | |
| 305 | P | A | -1.5848 | |
| 306 | Y | A | 0.0000 | |
| 307 | E | A | -1.3220 | |
| 308 | F | A | 0.0000 | |
| 309 | K | A | -1.4370 | |
| 310 | A | A | 0.0000 | |
| 311 | D | A | -1.2556 | |
| 312 | V | A | -0.5382 | |
| 313 | S | A | -0.5638 | |
| 314 | Y | A | 0.0000 | |
| 315 | D | A | -0.7587 | |
| 316 | L | A | 0.0000 | |
| 317 | T | A | -0.6303 | |
| 318 | L | A | 0.0000 | |
| 319 | S | A | -1.0279 | |
| 320 | G | A | -1.1606 | |
| 321 | F | A | 0.0000 | |
| 322 | L | A | 0.0000 | |
| 323 | R | A | -1.5379 | |
| 324 | W | A | -0.8337 | |
| 325 | G | A | -0.6997 | |
| 326 | G | A | -0.7885 | |
| 327 | N | A | 0.0000 | |
| 328 | A | A | 0.0000 | |
| 329 | W | A | -0.0184 | |
| 330 | Y | A | -0.0753 | |
| 331 | T | A | -0.4652 | |
| 332 | H | A | -1.0523 | |
| 333 | P | A | -1.5835 | |
| 334 | D | A | -2.6525 | |
| 335 | N | A | -2.6374 | |
| 336 | R | A | -2.3467 | |
| 337 | P | A | -1.8834 | |
| 338 | N | A | -1.9518 | |
| 339 | W | A | -1.2169 | |
| 340 | N | A | -1.5507 | |
| 341 | H | A | -0.6734 | |
| 342 | T | A | -0.4638 | |
| 343 | F | A | 0.0000 | |
| 344 | V | A | -0.7609 | |
| 345 | I | A | 0.0000 | |
| 346 | G | A | -0.7488 | |
| 347 | P | A | -1.2453 | |
| 348 | Y | A | -1.6307 | |
| 349 | K | A | -2.6391 | |
| 350 | D | A | -2.5065 | |
| 351 | K | A | -2.0284 | |
| 352 | A | A | -1.1965 | |
| 353 | S | A | 0.0000 | |
| 354 | S | A | -1.0623 | |
| 355 | I | A | 0.0000 | |
| 356 | R | A | -0.4165 | |
| 357 | Y | A | 0.0000 | |
| 358 | Q | A | 0.0000 | |
| 359 | W | A | 0.0000 | |
| 360 | D | A | 0.0000 | |
| 361 | K | A | 0.1054 | |
| 362 | R | A | 0.0000 | |
| 363 | Y | A | 1.3019 | |
| 364 | I | A | 0.7809 | |
| 365 | P | A | -0.1656 | |
| 366 | G | A | -0.6081 | |
| 367 | E | A | -0.6917 | |
| 368 | V | A | -0.4595 | |
| 369 | K | A | -1.5023 | |
| 370 | W | A | -0.5196 | |
| 371 | W | A | 0.0000 | |
| 372 | D | A | -0.2504 | |
| 373 | W | A | 0.0000 | |
| 374 | N | A | -0.4550 | |
| 375 | W | A | -0.6592 | |
| 376 | T | A | 0.0000 | |
| 377 | I | A | -0.7060 | |
| 378 | Q | A | -1.5893 | |
| 379 | Q | A | -1.5364 | |
| 380 | N | A | -0.9198 | |
| 381 | G | A | 0.0000 | |
| 382 | L | A | -0.2008 | |
| 383 | S | A | -0.2607 | |
| 384 | T | A | -0.4588 | |
| 385 | M | A | 0.0000 | |
| 386 | Q | A | -0.6003 | |
| 387 | N | A | -0.9332 | |
| 388 | N | A | 0.0000 | |
| 389 | L | A | 0.0000 | |
| 390 | A | A | 0.0000 | |
| 391 | R | A | -0.9198 | |
| 392 | V | A | 0.0000 | |
| 393 | L | A | -0.0237 | |
| 394 | R | A | -0.2974 | |
| 395 | P | A | -0.4944 | |
| 396 | V | A | -0.5477 | |
| 397 | R | A | -1.2032 | |
| 398 | A | A | 0.0000 | |
| 399 | G | A | 0.0000 | |
| 400 | I | A | 0.0000 | |
| 401 | T | A | -0.7948 | |
| 402 | G | A | 0.0000 | |
| 403 | D | A | -2.1173 | |
| 404 | F | A | 0.0000 | |
| 405 | S | A | -0.9535 | |
| 406 | A | A | 0.0000 | |
| 407 | E | A | -1.6840 | |
| 408 | S | A | 0.0000 | |
| 409 | Q | A | -0.9189 | |
| 410 | F | A | 0.0000 | |
| 411 | A | A | 0.0000 | |
| 412 | G | A | -0.7691 | |
| 413 | N | A | -1.4959 | |
| 414 | I | A | 0.0000 | |
| 415 | E | A | -0.3145 | |
| 416 | I | A | 0.2138 | |
| 417 | G | A | -0.0005 | |
| 418 | A | A | 0.0058 | |
| 419 | P | A | -0.2019 | |
| 420 | V | A | 0.0500 | |
| 421 | P | A | -0.3284 | |
| 422 | L | A | -0.5507 | |
| 440 | G | A | -1.1177 | |
| 441 | L | A | 0.0000 | |
| 442 | R | A | -2.3867 | |
| 443 | L | A | -1.2279 | |
| 444 | E | A | -1.4916 | |
| 445 | I | A | -0.1670 | |
| 446 | P | A | -0.2866 | |
| 447 | L | A | -0.8414 | |
| 448 | D | A | -2.5078 | |
| 449 | A | A | -2.3690 | |
| 450 | Q | A | -2.8597 | |
| 451 | E | A | -2.8648 | |
| 452 | L | A | 0.0000 | |
| 453 | S | A | -2.0488 | |
| 454 | G | A | -1.2990 | |
| 455 | L | A | -0.6045 | |
| 456 | G | A | -0.9559 | |
| 457 | F | A | 0.0000 | |
| 458 | N | A | -2.6015 | |
| 459 | N | A | -2.5293 | |
| 460 | V | A | 0.0000 | |
| 461 | S | A | -1.2633 | |
| 462 | L | A | -0.1892 | |
| 463 | S | A | -0.2592 | |
| 464 | V | A | 0.2047 | |
| 465 | T | A | -0.0205 | |
| 466 | P | A | -0.4185 | |
| 467 | A | A | -0.7735 | |
| 468 | A | A | -0.9451 | |
| 469 | N | A | -1.8624 | |
| 470 | Q | A | -2.0095 | |
| 2 | E | B | -1.9028 | |
| 3 | P | B | -1.1465 | |
| 4 | V | B | -0.4615 | |
| 5 | Y | B | -0.4427 | |
| 6 | P | B | -0.5567 | |
| 7 | D | B | -0.7110 | |
| 8 | Q | B | -0.3682 | |
| 9 | L | B | 0.0000 | |
| 10 | R | B | -0.3482 | |
| 11 | L | B | 0.2612 | |
| 12 | F | B | 0.4473 | |
| 13 | S | B | 0.3873 | |
| 14 | L | B | 0.7599 | |
| 15 | G | B | -0.2827 | |
| 16 | Q | B | -1.2481 | |
| 17 | G | B | -0.8115 | |
| 18 | V | B | 0.1320 | |
| 19 | C | B | -0.4694 | |
| 20 | G | B | -1.0255 | |
| 21 | D | B | -2.5786 | |
| 22 | K | B | -2.8364 | |
| 23 | Y | B | -1.6311 | |
| 24 | R | B | -1.3960 | |
| 25 | P | B | -0.6502 | |
| 26 | V | B | 0.0000 | |
| 27 | N | B | -1.9559 | |
| 28 | R | B | -2.6172 | |
| 29 | E | B | -2.9509 | |
| 30 | E | B | -2.0336 | |
| 31 | A | B | 0.0000 | |
| 32 | Q | B | -2.5493 | |
| 33 | S | B | -1.6483 | |
| 34 | V | B | 0.0000 | |
| 35 | K | B | -1.9645 | |
| 36 | S | B | -1.1821 | |
| 37 | N | B | -1.3354 | |
| 38 | I | B | 0.0000 | |
| 39 | V | B | -0.8036 | |
| 40 | G | B | -0.8450 | |
| 41 | M | B | -0.5105 | |
| 42 | M | B | 0.0000 | |
| 43 | G | B | 0.0000 | |
| 44 | Q | B | -0.5191 | |
| 45 | W | B | -0.1058 | |
| 46 | Q | B | 0.0000 | |
| 47 | I | B | 0.5446 | |
| 48 | S | B | 0.0000 | |
| 49 | G | B | 0.0000 | |
| 50 | L | B | 0.0000 | |
| 51 | A | B | -1.2053 | |
| 52 | N | B | -1.7406 | |
| 53 | G | B | -1.2711 | |
| 54 | W | B | -0.7957 | |
| 55 | V | B | 0.0000 | |
| 56 | I | B | 0.0000 | |
| 57 | M | B | -0.3462 | |
| 58 | G | B | 0.0000 | |
| 59 | P | B | -0.7969 | |
| 60 | G | B | -0.7333 | |
| 61 | Y | B | 0.0000 | |
| 62 | N | B | -1.7378 | |
| 63 | G | B | 0.0000 | |
| 64 | E | B | -1.9123 | |
| 65 | I | B | -1.2497 | |
| 66 | K | B | -1.2752 | |
| 67 | P | B | -0.8622 | |
| 68 | G | B | -0.5028 | |
| 69 | T | B | -0.7261 | |
| 70 | A | B | -0.3830 | |
| 71 | S | B | -0.4143 | |
| 72 | N | B | -0.0590 | |
| 73 | T | B | 0.0000 | |
| 74 | W | B | 0.0000 | |
| 75 | C | B | 0.0000 | |
| 76 | Y | B | 0.0000 | |
| 77 | P | B | 0.0000 | |
| 78 | T | B | -1.4558 | |
| 79 | N | B | -1.4258 | |
| 80 | P | B | -0.8324 | |
| 81 | V | B | -0.0604 | |
| 82 | T | B | -0.6057 | |
| 83 | G | B | 0.0000 | |
| 84 | E | B | -0.7602 | |
| 85 | I | B | 0.0000 | |
| 86 | P | B | -0.5287 | |
| 87 | T | B | -0.1793 | |
| 88 | L | B | 0.2867 | |
| 89 | S | B | 0.1637 | |
| 90 | A | B | -0.3773 | |
| 91 | L | B | -0.9569 | |
| 92 | D | B | -2.1155 | |
| 93 | I | B | 0.0000 | |
| 94 | P | B | -1.0844 | |
| 95 | D | B | -0.9330 | |
| 96 | G | B | 0.0000 | |
| 97 | D | B | -1.6452 | |
| 98 | E | B | -1.1994 | |
| 99 | V | B | -0.3352 | |
| 100 | D | B | -1.0161 | |
| 101 | V | B | 0.0000 | |
| 102 | Q | B | 0.0000 | |
| 103 | W | B | -0.0711 | |
| 104 | R | B | -0.6753 | |
| 105 | L | B | 0.0000 | |
| 106 | V | B | 0.0000 | |
| 107 | H | B | -0.6850 | |
| 108 | D | B | -0.8449 | |
| 109 | S | B | -0.6356 | |
| 110 | A | B | -0.6679 | |
| 111 | N | B | -0.7989 | |
| 112 | F | B | 0.0000 | |
| 113 | I | B | -0.2899 | |
| 114 | K | B | -0.3768 | |
| 115 | P | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | S | B | 0.0000 | |
| 118 | Y | B | 0.1260 | |
| 119 | L | B | 0.0000 | |
| 120 | A | B | 0.0000 | |
| 121 | H | B | -0.1474 | |
| 122 | Y | B | -0.0784 | |
| 123 | L | B | 0.0000 | |
| 124 | G | B | 0.0000 | |
| 125 | Y | B | 0.0000 | |
| 126 | A | B | 0.0000 | |
| 127 | W | B | -0.1087 | |
| 128 | V | B | 0.0000 | |
| 129 | G | B | -1.1334 | |
| 130 | G | B | 0.0000 | |
| 131 | N | B | -2.5347 | |
| 132 | H | B | -2.3305 | |
| 133 | S | B | -1.2800 | |
| 134 | Q | B | -0.8201 | |
| 135 | Y | B | -0.4119 | |
| 136 | V | B | -0.1176 | |
| 137 | G | B | 0.0000 | |
| 138 | E | B | -1.4074 | |
| 139 | D | B | -2.1423 | |
| 140 | M | B | -1.6772 | |
| 141 | D | B | -1.7893 | |
| 142 | V | B | -1.0214 | |
| 143 | T | B | -1.5736 | |
| 144 | R | B | -2.8359 | |
| 145 | D | B | -2.8113 | |
| 146 | G | B | -2.3975 | |
| 147 | D | B | -2.8119 | |
| 148 | G | B | 0.0000 | |
| 149 | W | B | 0.0000 | |
| 150 | V | B | -1.1912 | |
| 151 | I | B | 0.0000 | |
| 152 | R | B | -1.5614 | |
| 153 | G | B | 0.0000 | |
| 154 | N | B | -2.5963 | |
| 155 | N | B | -3.2827 | |
| 156 | D | B | -3.0789 | |
| 157 | G | B | -2.1792 | |
| 158 | G | B | -1.9290 | |
| 159 | C | B | -1.8705 | |
| 160 | D | B | -1.8847 | |
| 161 | G | B | -0.7340 | |
| 162 | Y | B | 0.3674 | |
| 163 | R | B | -0.6070 | |
| 164 | C | B | 0.0000 | |
| 165 | G | B | -1.6856 | |
| 166 | D | B | -1.2004 | |
| 167 | K | B | 0.0000 | |
| 168 | T | B | 0.0000 | |
| 169 | A | B | -0.7526 | |
| 170 | I | B | 0.0000 | |
| 171 | K | B | -1.1977 | |
| 172 | V | B | 0.0000 | |
| 173 | S | B | -1.4964 | |
| 174 | N | B | -1.5983 | |
| 175 | F | B | -0.9817 | |
| 176 | A | B | -0.7230 | |
| 177 | Y | B | 0.0000 | |
| 178 | N | B | -1.6785 | |
| 179 | L | B | 0.0000 | |
| 180 | D | B | -2.0986 | |
| 181 | P | B | -2.2366 | |
| 182 | D | B | -2.1607 | |
| 183 | S | B | -1.4885 | |
| 184 | F | B | -1.2352 | |
| 185 | K | B | -1.5250 | |
| 186 | H | B | -1.5199 | |
| 187 | G | B | -1.6189 | |
| 188 | D | B | -1.9299 | |
| 189 | V | B | -1.0386 | |
| 190 | T | B | -1.0685 | |
| 191 | Q | B | -1.9454 | |
| 192 | S | B | -2.1170 | |
| 193 | D | B | -3.1193 | |
| 194 | R | B | -2.4017 | |
| 195 | Q | B | -1.7496 | |
| 196 | L | B | -0.3035 | |
| 197 | V | B | -0.0755 | |
| 198 | K | B | -0.2457 | |
| 199 | T | B | 0.1619 | |
| 200 | V | B | 0.0000 | |
| 201 | V | B | 1.2911 | |
| 202 | G | B | 0.0000 | |
| 203 | W | B | 0.1046 | |
| 204 | A | B | 0.0000 | |
| 205 | V | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | D | B | -2.8820 | |
| 208 | S | B | -2.4020 | |
| 209 | D | B | -2.8274 | |
| 210 | T | B | -1.7245 | |
| 211 | P | B | -1.4932 | |
| 212 | Q | B | -1.0555 | |
| 213 | S | B | -0.6296 | |
| 214 | G | B | -0.6539 | |
| 215 | Y | B | 0.1408 | |
| 216 | D | B | -0.0946 | |
| 217 | V | B | 0.0000 | |
| 218 | T | B | -0.4178 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.0357 | |
| 221 | Y | B | 0.0000 | |
| 222 | D | B | -1.2199 | |
| 223 | T | B | 0.0000 | |
| 224 | A | B | -0.6634 | |
| 225 | T | B | 0.0000 | |
| 226 | N | B | -1.3586 | |
| 227 | W | B | -1.0914 | |
| 228 | S | B | -1.3371 | |
| 229 | K | B | 0.0000 | |
| 230 | T | B | -1.0986 | |
| 231 | N | B | -0.8862 | |
| 232 | T | B | -0.0983 | |
| 233 | Y | B | 0.3268 | |
| 234 | G | B | -1.1006 | |
| 235 | L | B | 0.0000 | |
| 236 | S | B | 0.0000 | |
| 237 | E | B | -2.9004 | |
| 238 | K | B | -2.9161 | |
| 239 | V | B | 0.0000 | |
| 240 | T | B | -2.2746 | |
| 241 | T | B | 0.0000 | |
| 242 | K | B | -3.2448 | |
| 243 | N | B | -3.2089 | |
| 244 | K | B | -3.4027 | |
| 245 | F | B | -2.5984 | |
| 246 | K | B | -2.7069 | |
| 247 | W | B | 0.0000 | |
| 248 | P | B | -0.8105 | |
| 249 | L | B | -0.0936 | |
| 250 | V | B | -0.3708 | |
| 251 | G | B | -1.4563 | |
| 252 | E | B | -1.6486 | |
| 253 | T | B | 0.0000 | |
| 254 | E | B | -1.5534 | |
| 255 | L | B | -1.1483 | |
| 256 | S | B | -1.1655 | |
| 257 | I | B | 0.0000 | |
| 258 | E | B | -2.9152 | |
| 259 | I | B | 0.0000 | |
| 260 | A | B | -2.2112 | |
| 261 | A | B | -2.6807 | |
| 262 | N | B | -2.5985 | |
| 263 | Q | B | -2.3510 | |
| 264 | S | B | -1.9988 | |
| 265 | W | B | 0.0000 | |
| 266 | A | B | -1.4760 | |
| 267 | S | B | -1.3804 | |
| 268 | Q | B | -1.3413 | |
| 269 | N | B | -1.6670 | |
| 270 | G | B | -1.3347 | |
| 271 | G | B | -1.0967 | |
| 272 | S | B | -0.8891 | |
| 273 | T | B | -0.5119 | |
| 274 | T | B | -0.3869 | |
| 275 | T | B | -0.1710 | |
| 276 | S | B | -0.6541 | |
| 277 | L | B | -0.1584 | |
| 278 | S | B | -0.9756 | |
| 279 | Q | B | -0.9369 | |
| 280 | S | B | -0.7512 | |
| 281 | V | B | -0.1953 | |
| 282 | R | B | -0.5677 | |
| 283 | P | B | 0.0000 | |
| 284 | T | B | -0.4220 | |
| 285 | V | B | 0.0000 | |
| 286 | P | B | -1.2135 | |
| 287 | A | B | -2.1294 | |
| 288 | R | B | -2.9442 | |
| 289 | S | B | 0.0000 | |
| 290 | K | B | -0.7782 | |
| 291 | I | B | 0.0000 | |
| 292 | P | B | 0.0000 | |
| 293 | V | B | 0.0000 | |
| 294 | K | B | 0.3369 | |
| 295 | I | B | 0.0000 | |
| 296 | E | B | -0.3480 | |
| 297 | L | B | 0.0000 | |
| 298 | Y | B | -0.6942 | |
| 299 | K | B | -1.6398 | |
| 300 | A | B | 0.0000 | |
| 301 | D | B | -2.4994 | |
| 302 | I | B | 0.0000 | |
| 303 | S | B | 0.0000 | |
| 304 | Y | B | 0.0000 | |
| 305 | P | B | -1.6119 | |
| 306 | Y | B | 0.0000 | |
| 307 | E | B | -1.4546 | |
| 308 | F | B | 0.0000 | |
| 309 | K | B | -1.6464 | |
| 310 | A | B | 0.0000 | |
| 311 | D | B | -1.3438 | |
| 312 | V | B | 0.0000 | |
| 313 | S | B | -0.5967 | |
| 314 | Y | B | 0.0000 | |
| 315 | D | B | -0.8048 | |
| 316 | L | B | 0.0000 | |
| 317 | T | B | -0.6134 | |
| 318 | L | B | 0.0000 | |
| 319 | S | B | -1.0727 | |
| 320 | G | B | -0.9801 | |
| 321 | F | B | 0.0000 | |
| 322 | L | B | 0.0000 | |
| 323 | R | B | -0.7650 | |
| 324 | W | B | -0.3526 | |
| 325 | G | B | -0.6766 | |
| 326 | G | B | 0.0000 | |
| 327 | N | B | 0.0000 | |
| 328 | A | B | 0.0000 | |
| 329 | W | B | 0.1543 | |
| 330 | Y | B | 0.3331 | |
| 331 | T | B | -0.2890 | |
| 332 | H | B | -0.7938 | |
| 333 | P | B | -1.4328 | |
| 334 | D | B | -2.5478 | |
| 335 | N | B | -2.5763 | |
| 336 | R | B | -2.0819 | |
| 337 | P | B | -1.7044 | |
| 338 | N | B | -1.9258 | |
| 339 | W | B | -1.1316 | |
| 340 | N | B | -1.5358 | |
| 341 | H | B | -0.6661 | |
| 342 | T | B | -0.4684 | |
| 343 | F | B | 0.0000 | |
| 344 | V | B | -0.7159 | |
| 345 | I | B | 0.0000 | |
| 346 | G | B | -0.8250 | |
| 347 | P | B | -0.9586 | |
| 348 | Y | B | -1.6107 | |
| 349 | K | B | -2.5347 | |
| 350 | D | B | -2.4491 | |
| 351 | K | B | -1.8849 | |
| 352 | A | B | -1.1696 | |
| 353 | S | B | -0.9987 | |
| 354 | S | B | -1.0031 | |
| 355 | I | B | 0.0000 | |
| 356 | R | B | -0.6458 | |
| 357 | Y | B | 0.0000 | |
| 358 | Q | B | 0.0000 | |
| 359 | W | B | 0.0000 | |
| 360 | D | B | -0.2355 | |
| 361 | K | B | 0.1837 | |
| 362 | R | B | -0.0630 | |
| 363 | Y | B | 1.2578 | |
| 364 | I | B | 1.1573 | |
| 365 | P | B | 0.0513 | |
| 366 | G | B | -0.5470 | |
| 367 | E | B | -0.5571 | |
| 368 | V | B | -0.5004 | |
| 369 | K | B | -1.6148 | |
| 370 | W | B | -0.5055 | |
| 371 | W | B | 0.0000 | |
| 372 | D | B | -0.5072 | |
| 373 | W | B | 0.0000 | |
| 374 | N | B | -1.4303 | |
| 375 | W | B | -1.0298 | |
| 376 | T | B | 0.0000 | |
| 377 | I | B | 0.0000 | |
| 378 | Q | B | -2.2779 | |
| 379 | Q | B | -1.6381 | |
| 380 | N | B | -1.1137 | |
| 381 | G | B | 0.0000 | |
| 382 | L | B | -1.0129 | |
| 383 | S | B | -0.5968 | |
| 384 | T | B | -0.5624 | |
| 385 | M | B | 0.0000 | |
| 386 | Q | B | -0.9773 | |
| 387 | N | B | -1.3774 | |
| 388 | N | B | 0.0000 | |
| 389 | L | B | 0.0000 | |
| 390 | A | B | 0.0000 | |
| 391 | R | B | -0.9668 | |
| 392 | V | B | 0.0000 | |
| 393 | L | B | -0.2601 | |
| 394 | R | B | -0.3940 | |
| 395 | P | B | -0.6541 | |
| 396 | V | B | 0.0000 | |
| 397 | R | B | -1.6131 | |
| 398 | A | B | 0.0000 | |
| 399 | G | B | -1.0648 | |
| 400 | I | B | 0.0000 | |
| 401 | T | B | -0.8499 | |
| 402 | G | B | 0.0000 | |
| 403 | D | B | -2.1288 | |
| 404 | F | B | 0.0000 | |
| 405 | S | B | -1.1415 | |
| 406 | A | B | 0.0000 | |
| 407 | E | B | -2.0210 | |
| 408 | S | B | 0.0000 | |
| 409 | Q | B | -1.0020 | |
| 410 | F | B | 0.0000 | |
| 411 | A | B | 0.0000 | |
| 412 | G | B | -0.8295 | |
| 413 | N | B | -1.4708 | |
| 414 | I | B | 0.0000 | |
| 415 | E | B | -0.2444 | |
| 416 | I | B | 0.3365 | |
| 417 | G | B | -0.0318 | |
| 418 | A | B | -0.2880 | |
| 419 | P | B | -0.1985 | |
| 420 | V | B | 0.0916 | |
| 421 | P | B | -0.3198 | |
| 422 | L | B | -0.5116 | |
| 423 | A | B | 0.0464 | |
| 424 | A | B | 0.1675 | |
| 441 | L | B | -0.4808 | |
| 442 | R | B | -1.1855 | |
| 443 | L | B | -0.5596 | |
| 444 | E | B | -1.1241 | |
| 445 | I | B | -0.0222 | |
| 446 | P | B | -0.2661 | |
| 447 | L | B | -0.6255 | |
| 448 | D | B | -2.1881 | |
| 449 | A | B | -1.9363 | |
| 450 | Q | B | -2.4370 | |
| 451 | E | B | -2.4786 | |
| 452 | L | B | 0.0000 | |
| 453 | S | B | -1.7520 | |
| 454 | G | B | -1.2313 | |
| 455 | L | B | -0.6773 | |
| 456 | G | B | -0.6187 | |
| 457 | F | B | 0.0000 | |
| 458 | N | B | -1.9613 | |
| 459 | N | B | -1.9661 | |
| 460 | V | B | -1.2618 | |
| 461 | S | B | -0.7532 | |
| 462 | L | B | 0.0057 | |
| 463 | S | B | -0.1167 | |
| 464 | V | B | 0.4056 | |
| 465 | T | B | 0.1092 | |
| 466 | P | B | -0.0826 | |
| 467 | A | B | -0.3737 | |
| 468 | A | B | -0.1497 |
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 | -0.4267 | 2.6804 | View | CSV | PDB |
| 4.5 | -0.4875 | 2.6622 | View | CSV | PDB |
| 5.0 | -0.5601 | 2.6387 | View | CSV | PDB |
| 5.5 | -0.6344 | 2.6153 | View | CSV | PDB |
| 6.0 | -0.7 | 2.5973 | View | CSV | PDB |
| 6.5 | -0.7493 | 2.5883 | View | CSV | PDB |
| 7.0 | -0.7812 | 2.5886 | View | CSV | PDB |
| 7.5 | -0.8009 | 2.5956 | View | CSV | PDB |
| 8.0 | -0.8128 | 2.606 | View | CSV | PDB |
| 8.5 | -0.8162 | 2.618 | View | CSV | PDB |
| 9.0 | -0.808 | 2.6307 | 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