| Chain sequence(s) |
A: VYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSAPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY
B: PEIVYTHDTGLDYITYSDYELDPANPLAGGAAWIEGAFVPPSEARISIFDQGFYTSDATYTTFHVWNGNAFRLGDHIERLFSNAESIRLIPPLTQDEVKEIALELVAKTELREAMVTVTITRGYSSTPFERDITKHRPQVYMSAPYQWIVPFDRIRDGVHLMVAQSVRRTPRSSIDPQVKNFQWGDLIRAIQETHDRGFELPLLLDCDNLLAEGPGFNVVVIKDGVVRSPGRAALPGITRKTVLEIAESLGHEAILADITPAELYDADEVLGCSTGGGVWPFVSVDGNSISDGVPGPVTQSIIRRYWELNVEPSSLLTPVQY 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] (00:00:06)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:06)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:06)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:06)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:06:59)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5b47b8dbe25a076/tmp/folded.pdb (00:06:59)
[INFO] Main: Simulation completed successfully. (00:11:06)
|
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 |
|---|---|---|---|---|
| 11 | V | A | 1.7081 | |
| 12 | Y | A | 0.4386 | |
| 13 | T | A | -0.6785 | |
| 14 | H | A | -1.2785 | |
| 15 | D | A | -2.4001 | |
| 16 | T | A | -1.7810 | |
| 17 | G | A | -1.8508 | |
| 18 | L | A | -1.7298 | |
| 19 | D | A | -1.9748 | |
| 20 | Y | A | -0.8965 | |
| 21 | I | A | 0.0000 | |
| 22 | T | A | -1.0668 | |
| 23 | Y | A | 0.0000 | |
| 24 | S | A | -1.4168 | |
| 25 | D | A | -2.1850 | |
| 26 | Y | A | -1.7204 | |
| 27 | E | A | -2.3338 | |
| 28 | L | A | -1.4672 | |
| 29 | D | A | -1.8592 | |
| 30 | P | A | -1.1779 | |
| 31 | A | A | -0.6451 | |
| 32 | N | A | -0.9987 | |
| 33 | P | A | -0.7237 | |
| 34 | L | A | 0.0000 | |
| 35 | A | A | -1.0155 | |
| 36 | G | A | -0.5189 | |
| 37 | G | A | -0.3098 | |
| 38 | A | A | 0.0000 | |
| 39 | A | A | 0.0000 | |
| 40 | W | A | -0.0941 | |
| 41 | I | A | 0.0000 | |
| 42 | E | A | -1.1690 | |
| 43 | G | A | -0.7564 | |
| 44 | A | A | -0.1949 | |
| 45 | F | A | -0.0885 | |
| 46 | V | A | -0.3240 | |
| 47 | P | A | -0.6208 | |
| 48 | P | A | -0.7289 | |
| 49 | S | A | -1.1371 | |
| 50 | E | A | -2.0515 | |
| 51 | A | A | 0.0000 | |
| 52 | R | A | -1.2564 | |
| 53 | I | A | 0.0000 | |
| 54 | S | A | 0.0000 | |
| 55 | I | A | 0.0000 | |
| 56 | F | A | 0.8040 | |
| 57 | D | A | 0.0000 | |
| 58 | Q | A | 0.0000 | |
| 59 | G | A | 0.0000 | |
| 60 | F | A | 0.0000 | |
| 61 | Y | A | 0.4952 | |
| 62 | T | A | 0.0000 | |
| 63 | S | A | 0.0000 | |
| 64 | D | A | 0.0000 | |
| 65 | A | A | 0.0000 | |
| 66 | T | A | 0.0000 | |
| 67 | Y | A | 0.0000 | |
| 68 | T | A | 0.0000 | |
| 69 | T | A | -0.0370 | |
| 70 | F | A | 0.0000 | |
| 71 | H | A | 0.0000 | |
| 72 | V | A | 0.0000 | |
| 73 | W | A | 0.0000 | |
| 74 | N | A | -0.7341 | |
| 75 | G | A | -0.5621 | |
| 76 | N | A | -0.4363 | |
| 77 | A | A | 0.0000 | |
| 78 | F | A | 0.0000 | |
| 79 | R | A | -0.4739 | |
| 80 | L | A | 0.0000 | |
| 81 | G | A | -1.6441 | |
| 82 | D | A | -1.6901 | |
| 83 | H | A | 0.0000 | |
| 84 | I | A | 0.0000 | |
| 85 | E | A | -2.2710 | |
| 86 | R | A | 0.0000 | |
| 87 | L | A | 0.0000 | |
| 88 | F | A | 0.0000 | |
| 89 | S | A | -1.2943 | |
| 90 | N | A | 0.0000 | |
| 91 | A | A | 0.0000 | |
| 92 | E | A | -1.6742 | |
| 93 | S | A | -1.0187 | |
| 94 | I | A | -0.6130 | |
| 95 | R | A | -0.8590 | |
| 96 | L | A | 0.0000 | |
| 97 | I | A | 1.2591 | |
| 98 | P | A | 0.2493 | |
| 99 | P | A | -0.0940 | |
| 100 | L | A | -0.3336 | |
| 101 | T | A | -1.1646 | |
| 102 | Q | A | -2.4097 | |
| 103 | D | A | -3.1551 | |
| 104 | E | A | -2.7396 | |
| 105 | V | A | 0.0000 | |
| 106 | K | A | -2.5875 | |
| 107 | E | A | -3.1302 | |
| 108 | I | A | -1.6648 | |
| 109 | A | A | 0.0000 | |
| 110 | L | A | -1.4360 | |
| 111 | E | A | -1.8874 | |
| 112 | L | A | 0.0000 | |
| 113 | V | A | 0.0000 | |
| 114 | A | A | -0.8839 | |
| 115 | K | A | -1.1581 | |
| 116 | T | A | 0.0000 | |
| 117 | E | A | -1.1410 | |
| 118 | L | A | 0.0000 | |
| 119 | R | A | -0.8193 | |
| 120 | E | A | 0.0000 | |
| 121 | A | A | 0.0000 | |
| 122 | M | A | -0.2529 | |
| 123 | V | A | 0.0000 | |
| 124 | T | A | -0.0057 | |
| 125 | V | A | 0.0000 | |
| 126 | T | A | 0.0000 | |
| 127 | I | A | 0.0000 | |
| 128 | T | A | 0.0000 | |
| 129 | R | A | 0.0000 | |
| 130 | G | A | 0.0000 | |
| 131 | Y | A | 0.4215 | |
| 132 | S | A | -0.5419 | |
| 133 | S | A | 0.0000 | |
| 134 | T | A | -0.1901 | |
| 135 | P | A | -0.1639 | |
| 136 | F | A | -0.4547 | |
| 137 | E | A | -1.7185 | |
| 138 | R | A | -2.8091 | |
| 139 | D | A | -2.4353 | |
| 140 | I | A | -0.5780 | |
| 141 | T | A | -1.1210 | |
| 142 | K | A | -2.1663 | |
| 143 | H | A | -1.4528 | |
| 144 | R | A | -1.7007 | |
| 145 | P | A | -0.6625 | |
| 146 | Q | A | -0.5229 | |
| 147 | V | A | 0.0000 | |
| 148 | Y | A | 0.0000 | |
| 149 | M | A | 0.0000 | |
| 150 | S | A | 0.1428 | |
| 151 | A | A | -0.0936 | |
| 153 | P | A | -0.0572 | |
| 154 | Y | A | 0.0000 | |
| 155 | Q | A | -1.0480 | |
| 156 | W | A | -0.2847 | |
| 157 | I | A | 0.1558 | |
| 158 | V | A | 0.0000 | |
| 159 | P | A | -1.1959 | |
| 160 | F | A | -1.8276 | |
| 161 | D | A | -3.1160 | |
| 162 | R | A | -2.6727 | |
| 163 | I | A | 0.0000 | |
| 164 | R | A | -3.4144 | |
| 165 | D | A | -2.9335 | |
| 166 | G | A | 0.0000 | |
| 167 | V | A | 0.0000 | |
| 168 | H | A | -1.1058 | |
| 169 | L | A | 0.0000 | |
| 170 | M | A | 0.0000 | |
| 171 | V | A | 0.0000 | |
| 172 | A | A | 0.0000 | |
| 173 | Q | A | -1.3911 | |
| 174 | S | A | -1.0208 | |
| 175 | V | A | 0.0000 | |
| 176 | R | A | -1.0718 | |
| 177 | R | A | 0.0000 | |
| 178 | T | A | 0.0000 | |
| 179 | P | A | -0.8394 | |
| 180 | R | A | -1.4549 | |
| 181 | S | A | -1.0499 | |
| 182 | S | A | 0.0000 | |
| 183 | I | A | 0.0000 | |
| 184 | D | A | -0.8884 | |
| 185 | P | A | 0.0000 | |
| 186 | Q | A | -0.5886 | |
| 187 | V | A | -0.4264 | |
| 188 | K | A | -0.2357 | |
| 189 | N | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | Q | A | 0.0000 | |
| 192 | W | A | 0.0803 | |
| 193 | G | A | -0.0831 | |
| 194 | D | A | 0.0000 | |
| 195 | L | A | 0.0000 | |
| 196 | I | A | 0.0273 | |
| 197 | R | A | -0.7633 | |
| 198 | A | A | 0.0000 | |
| 199 | I | A | 0.0000 | |
| 200 | Q | A | -1.5426 | |
| 201 | E | A | 0.0000 | |
| 202 | T | A | 0.0000 | |
| 203 | H | A | -2.8785 | |
| 204 | D | A | -2.8180 | |
| 205 | R | A | -2.3092 | |
| 206 | G | A | -1.8708 | |
| 207 | F | A | -1.2888 | |
| 208 | E | A | -1.1472 | |
| 209 | L | A | 0.0000 | |
| 210 | P | A | 0.0000 | |
| 211 | L | A | 0.0000 | |
| 212 | L | A | 0.0000 | |
| 213 | L | A | 0.0000 | |
| 214 | D | A | 0.0000 | |
| 215 | C | A | -0.4782 | |
| 216 | D | A | -2.0909 | |
| 217 | N | A | -1.8083 | |
| 218 | L | A | -1.3320 | |
| 219 | L | A | 0.0000 | |
| 220 | A | A | 0.0000 | |
| 221 | E | A | 0.0000 | |
| 222 | G | A | 0.0000 | |
| 223 | P | A | 0.0000 | |
| 224 | G | A | -0.1979 | |
| 225 | F | A | 0.0000 | |
| 226 | N | A | 0.0000 | |
| 227 | V | A | 0.0000 | |
| 228 | V | A | 0.0000 | |
| 229 | V | A | 0.0000 | |
| 230 | I | A | 0.0000 | |
| 231 | K | A | -2.5724 | |
| 232 | D | A | -2.4638 | |
| 233 | G | A | -1.7868 | |
| 234 | V | A | -1.4020 | |
| 235 | V | A | 0.0000 | |
| 236 | R | A | -0.0673 | |
| 237 | S | A | 0.0000 | |
| 238 | P | A | 0.0000 | |
| 239 | G | A | -0.3693 | |
| 240 | R | A | -1.0974 | |
| 241 | A | A | 0.0000 | |
| 242 | A | A | 0.0000 | |
| 243 | L | A | -0.1531 | |
| 244 | P | A | -0.2321 | |
| 245 | G | A | 0.0000 | |
| 246 | I | A | 0.0000 | |
| 247 | T | A | 0.0000 | |
| 248 | R | A | 0.0000 | |
| 249 | K | A | -1.2525 | |
| 250 | T | A | 0.0000 | |
| 251 | V | A | 0.0000 | |
| 252 | L | A | -1.2090 | |
| 253 | E | A | -2.2764 | |
| 254 | I | A | 0.0000 | |
| 255 | A | A | 0.0000 | |
| 256 | E | A | -2.7038 | |
| 257 | S | A | -1.5401 | |
| 258 | L | A | -0.8535 | |
| 259 | G | A | -1.5258 | |
| 260 | H | A | -1.9137 | |
| 261 | E | A | -2.2126 | |
| 262 | A | A | -0.9885 | |
| 263 | I | A | 0.7691 | |
| 264 | L | A | 1.0273 | |
| 265 | A | A | -0.1805 | |
| 266 | D | A | -1.7795 | |
| 267 | I | A | 0.0000 | |
| 268 | T | A | -1.1475 | |
| 269 | P | A | -0.5737 | |
| 270 | A | A | -0.6515 | |
| 271 | E | A | -1.5004 | |
| 272 | L | A | 0.0000 | |
| 273 | Y | A | -1.1575 | |
| 274 | D | A | -2.4199 | |
| 275 | A | A | 0.0000 | |
| 276 | D | A | -2.4936 | |
| 277 | E | A | 0.0000 | |
| 278 | V | A | 0.0000 | |
| 279 | L | A | 0.0000 | |
| 280 | G | A | 0.0000 | |
| 281 | C | A | 0.0000 | |
| 282 | S | A | -0.0387 | |
| 283 | T | A | -0.1708 | |
| 284 | G | A | -0.3310 | |
| 285 | G | A | 0.0000 | |
| 286 | G | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | W | A | 0.0000 | |
| 289 | P | A | 0.0000 | |
| 290 | F | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | S | A | 0.0000 | |
| 293 | V | A | 0.0000 | |
| 294 | D | A | -1.2506 | |
| 295 | G | A | -1.4235 | |
| 296 | N | A | -2.0830 | |
| 297 | S | A | -1.5973 | |
| 298 | I | A | 0.0000 | |
| 299 | S | A | -1.5976 | |
| 300 | D | A | -1.7442 | |
| 301 | G | A | -0.8851 | |
| 302 | V | A | 0.4222 | |
| 303 | P | A | -0.6672 | |
| 304 | G | A | -0.4323 | |
| 305 | P | A | -0.3468 | |
| 306 | V | A | -0.3316 | |
| 307 | T | A | 0.0000 | |
| 308 | Q | A | -1.5865 | |
| 309 | S | A | -0.8379 | |
| 310 | I | A | 0.0000 | |
| 311 | I | A | 0.0000 | |
| 312 | R | A | -1.4607 | |
| 313 | R | A | -1.1806 | |
| 314 | Y | A | 0.0000 | |
| 315 | W | A | 0.0000 | |
| 316 | E | A | -0.8838 | |
| 317 | L | A | -0.3063 | |
| 318 | N | A | 0.0000 | |
| 319 | V | A | 0.1662 | |
| 320 | E | A | -1.3814 | |
| 321 | P | A | -0.9056 | |
| 322 | S | A | -0.5036 | |
| 323 | S | A | -0.4437 | |
| 324 | L | A | -0.1125 | |
| 325 | L | A | -0.1223 | |
| 326 | T | A | -0.3691 | |
| 327 | P | A | -0.5528 | |
| 328 | V | A | 0.0000 | |
| 329 | Q | A | -1.1450 | |
| 330 | Y | A | -0.1545 | |
| 8 | P | B | -0.6021 | |
| 9 | E | B | -0.8395 | |
| 10 | I | B | 1.3320 | |
| 11 | V | B | 1.9511 | |
| 12 | Y | B | 0.6336 | |
| 13 | T | B | -0.5013 | |
| 14 | H | B | -1.2077 | |
| 15 | D | B | -2.3536 | |
| 16 | T | B | -1.7475 | |
| 17 | G | B | -1.8677 | |
| 18 | L | B | -1.7612 | |
| 19 | D | B | -2.0306 | |
| 20 | Y | B | -1.1805 | |
| 21 | I | B | 0.0000 | |
| 22 | T | B | -1.0360 | |
| 23 | Y | B | 0.0000 | |
| 24 | S | B | -1.3760 | |
| 25 | D | B | -2.1737 | |
| 26 | Y | B | -1.8132 | |
| 27 | E | B | -2.5712 | |
| 28 | L | B | 0.0000 | |
| 29 | D | B | -2.5059 | |
| 30 | P | B | -1.4834 | |
| 31 | A | B | -0.8478 | |
| 32 | N | B | -1.1981 | |
| 33 | P | B | -0.7828 | |
| 34 | L | B | 0.0000 | |
| 35 | A | B | -1.0078 | |
| 36 | G | B | 0.0000 | |
| 37 | G | B | 0.0000 | |
| 38 | A | B | 0.0000 | |
| 39 | A | B | 0.0000 | |
| 40 | W | B | -0.0997 | |
| 41 | I | B | 0.0000 | |
| 42 | E | B | -1.0027 | |
| 43 | G | B | -0.6787 | |
| 44 | A | B | -0.1482 | |
| 45 | F | B | -0.0806 | |
| 46 | V | B | -0.3142 | |
| 47 | P | B | -0.6825 | |
| 48 | P | B | -0.7307 | |
| 49 | S | B | -1.1217 | |
| 50 | E | B | -2.0388 | |
| 51 | A | B | 0.0000 | |
| 52 | R | B | -1.2160 | |
| 53 | I | B | 0.0000 | |
| 54 | S | B | -0.2954 | |
| 55 | I | B | 0.0000 | |
| 56 | F | B | 0.8349 | |
| 57 | D | B | 0.0000 | |
| 58 | Q | B | 0.0000 | |
| 59 | G | B | 0.0000 | |
| 60 | F | B | 0.0000 | |
| 61 | Y | B | 0.5357 | |
| 62 | T | B | 0.0000 | |
| 63 | S | B | 0.0000 | |
| 64 | D | B | 0.0000 | |
| 65 | A | B | 0.0000 | |
| 66 | T | B | 0.0000 | |
| 67 | Y | B | 0.0000 | |
| 68 | T | B | 0.0000 | |
| 69 | T | B | -0.0332 | |
| 70 | F | B | 0.0000 | |
| 71 | H | B | 0.0000 | |
| 72 | V | B | 0.0000 | |
| 73 | W | B | 0.0000 | |
| 74 | N | B | -0.6701 | |
| 75 | G | B | -0.5248 | |
| 76 | N | B | -0.4220 | |
| 77 | A | B | 0.0000 | |
| 78 | F | B | 0.0000 | |
| 79 | R | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | G | B | -1.6414 | |
| 82 | D | B | -1.6973 | |
| 83 | H | B | 0.0000 | |
| 84 | I | B | 0.0000 | |
| 85 | E | B | -2.1787 | |
| 86 | R | B | 0.0000 | |
| 87 | L | B | 0.0000 | |
| 88 | F | B | -0.8349 | |
| 89 | S | B | -1.1644 | |
| 90 | N | B | 0.0000 | |
| 91 | A | B | 0.0000 | |
| 92 | E | B | -1.6388 | |
| 93 | S | B | -1.1851 | |
| 94 | I | B | -0.6079 | |
| 95 | R | B | -0.9242 | |
| 96 | L | B | 0.0000 | |
| 97 | I | B | 1.3109 | |
| 98 | P | B | 0.2555 | |
| 99 | P | B | -0.1440 | |
| 100 | L | B | -0.4325 | |
| 101 | T | B | -1.1958 | |
| 102 | Q | B | -2.3974 | |
| 103 | D | B | -3.2208 | |
| 104 | E | B | -2.8475 | |
| 105 | V | B | 0.0000 | |
| 106 | K | B | -2.5885 | |
| 107 | E | B | -3.1496 | |
| 108 | I | B | -1.6747 | |
| 109 | A | B | 0.0000 | |
| 110 | L | B | -1.4289 | |
| 111 | E | B | -1.8542 | |
| 112 | L | B | 0.0000 | |
| 113 | V | B | 0.0000 | |
| 114 | A | B | -0.8340 | |
| 115 | K | B | -1.0639 | |
| 116 | T | B | 0.0000 | |
| 117 | E | B | -1.2213 | |
| 118 | L | B | 0.0000 | |
| 119 | R | B | -0.7618 | |
| 120 | E | B | 0.0000 | |
| 121 | A | B | 0.0000 | |
| 122 | M | B | -0.2127 | |
| 123 | V | B | 0.0000 | |
| 124 | T | B | -0.0012 | |
| 125 | V | B | 0.0000 | |
| 126 | T | B | 0.0000 | |
| 127 | I | B | 0.0000 | |
| 128 | T | B | 0.0000 | |
| 129 | R | B | 0.0000 | |
| 130 | G | B | 0.0000 | |
| 131 | Y | B | 0.4780 | |
| 132 | S | B | -0.5664 | |
| 133 | S | B | 0.0000 | |
| 134 | T | B | -0.0990 | |
| 135 | P | B | -0.0547 | |
| 136 | F | B | -0.2713 | |
| 137 | E | B | -1.2954 | |
| 138 | R | B | -2.3907 | |
| 139 | D | B | -1.8780 | |
| 140 | I | B | -0.2560 | |
| 141 | T | B | -0.9713 | |
| 142 | K | B | -2.0520 | |
| 143 | H | B | 0.0000 | |
| 144 | R | B | -1.7153 | |
| 145 | P | B | -0.6828 | |
| 146 | Q | B | -0.5216 | |
| 147 | V | B | 0.0000 | |
| 148 | Y | B | 0.0000 | |
| 149 | M | B | 0.0000 | |
| 150 | S | B | 0.1439 | |
| 151 | A | B | -0.0774 | |
| 153 | P | B | 0.2254 | |
| 154 | Y | B | 0.0000 | |
| 155 | Q | B | -1.0484 | |
| 156 | W | B | -0.2929 | |
| 157 | I | B | 0.1059 | |
| 158 | V | B | 0.0000 | |
| 159 | P | B | -1.0888 | |
| 160 | F | B | -1.7275 | |
| 161 | D | B | -2.9063 | |
| 162 | R | B | -2.4149 | |
| 163 | I | B | 0.0000 | |
| 164 | R | B | -3.1454 | |
| 165 | D | B | -2.3369 | |
| 166 | G | B | 0.0000 | |
| 167 | V | B | 0.0000 | |
| 168 | H | B | -1.0348 | |
| 169 | L | B | 0.0000 | |
| 170 | M | B | 0.0000 | |
| 171 | V | B | 0.0000 | |
| 172 | A | B | 0.0000 | |
| 173 | Q | B | -1.4287 | |
| 174 | S | B | -1.0593 | |
| 175 | V | B | 0.0000 | |
| 176 | R | B | -1.2871 | |
| 177 | R | B | 0.0000 | |
| 178 | T | B | 0.0000 | |
| 179 | P | B | -1.0235 | |
| 180 | R | B | -1.5683 | |
| 181 | S | B | -1.0045 | |
| 182 | S | B | 0.0000 | |
| 183 | I | B | 0.0000 | |
| 184 | D | B | -1.0316 | |
| 185 | P | B | 0.0000 | |
| 186 | Q | B | -0.8025 | |
| 187 | V | B | -0.4499 | |
| 188 | K | B | -0.2925 | |
| 189 | N | B | -0.1876 | |
| 190 | F | B | 0.0000 | |
| 191 | Q | B | 0.0000 | |
| 192 | W | B | 0.0043 | |
| 193 | G | B | -0.1499 | |
| 194 | D | B | 0.0000 | |
| 195 | L | B | 0.0000 | |
| 196 | I | B | 0.0000 | |
| 197 | R | B | -0.7968 | |
| 198 | A | B | 0.0000 | |
| 199 | I | B | -0.7078 | |
| 200 | Q | B | -1.4439 | |
| 201 | E | B | 0.0000 | |
| 202 | T | B | 0.0000 | |
| 203 | H | B | -2.8621 | |
| 204 | D | B | -2.7239 | |
| 205 | R | B | -2.1771 | |
| 206 | G | B | -1.7383 | |
| 207 | F | B | -1.1265 | |
| 208 | E | B | -0.9135 | |
| 209 | L | B | 0.0000 | |
| 210 | P | B | 0.0000 | |
| 211 | L | B | 0.0000 | |
| 212 | L | B | 0.0000 | |
| 213 | L | B | 0.0000 | |
| 214 | D | B | -1.1744 | |
| 215 | C | B | -0.6184 | |
| 216 | D | B | -1.9469 | |
| 217 | N | B | -1.5309 | |
| 218 | L | B | -1.2300 | |
| 219 | L | B | 0.0000 | |
| 220 | A | B | 0.0000 | |
| 221 | E | B | 0.0000 | |
| 222 | G | B | 0.0000 | |
| 223 | P | B | 0.0000 | |
| 224 | G | B | -0.1666 | |
| 225 | F | B | 0.0000 | |
| 226 | N | B | 0.0000 | |
| 227 | V | B | 0.0000 | |
| 228 | V | B | 0.0000 | |
| 229 | V | B | 0.0000 | |
| 230 | I | B | 0.0000 | |
| 231 | K | B | -2.2825 | |
| 232 | D | B | -2.5174 | |
| 233 | G | B | -1.6633 | |
| 234 | V | B | -1.4223 | |
| 235 | V | B | 0.0000 | |
| 236 | R | B | -0.1065 | |
| 237 | S | B | 0.0000 | |
| 238 | P | B | 0.0000 | |
| 239 | G | B | -0.6984 | |
| 240 | R | B | -2.1062 | |
| 241 | A | B | 0.0000 | |
| 242 | A | B | 0.0000 | |
| 243 | L | B | -0.3470 | |
| 244 | P | B | -0.3605 | |
| 245 | G | B | 0.0000 | |
| 246 | I | B | 0.0000 | |
| 247 | T | B | 0.0000 | |
| 248 | R | B | 0.0000 | |
| 249 | K | B | -1.1581 | |
| 250 | T | B | 0.0000 | |
| 251 | V | B | 0.0000 | |
| 252 | L | B | -1.3169 | |
| 253 | E | B | -2.3468 | |
| 254 | I | B | 0.0000 | |
| 255 | A | B | 0.0000 | |
| 256 | E | B | -2.7535 | |
| 257 | S | B | -1.5371 | |
| 258 | L | B | -0.7412 | |
| 259 | G | B | -1.3470 | |
| 260 | H | B | -1.9972 | |
| 261 | E | B | -2.4938 | |
| 262 | A | B | -1.1512 | |
| 263 | I | B | 0.3347 | |
| 264 | L | B | 0.8855 | |
| 265 | A | B | -0.0618 | |
| 266 | D | B | -1.2897 | |
| 267 | I | B | 0.0000 | |
| 268 | T | B | -0.8597 | |
| 269 | P | B | -0.4593 | |
| 270 | A | B | -0.5699 | |
| 271 | E | B | -1.4038 | |
| 272 | L | B | 0.0000 | |
| 273 | Y | B | -1.0599 | |
| 274 | D | B | -2.3092 | |
| 275 | A | B | 0.0000 | |
| 276 | D | B | -2.3783 | |
| 277 | E | B | 0.0000 | |
| 278 | V | B | 0.0000 | |
| 279 | L | B | 0.0000 | |
| 280 | G | B | 0.0000 | |
| 281 | C | B | 0.0000 | |
| 282 | S | B | -0.0374 | |
| 283 | T | B | -0.1636 | |
| 284 | G | B | -0.3205 | |
| 285 | G | B | 0.0000 | |
| 286 | G | B | 0.0000 | |
| 287 | V | B | 0.0000 | |
| 288 | W | B | 0.0000 | |
| 289 | P | B | 0.0000 | |
| 290 | F | B | 0.0000 | |
| 291 | V | B | 0.0000 | |
| 292 | S | B | 0.0000 | |
| 293 | V | B | 0.0000 | |
| 294 | D | B | -1.2523 | |
| 295 | G | B | -1.4306 | |
| 296 | N | B | -2.1030 | |
| 297 | S | B | -1.5069 | |
| 298 | I | B | 0.0000 | |
| 299 | S | B | -1.5962 | |
| 300 | D | B | -1.7643 | |
| 301 | G | B | -0.8413 | |
| 302 | V | B | 0.5408 | |
| 303 | P | B | -0.5811 | |
| 304 | G | B | -0.4459 | |
| 305 | P | B | -0.4798 | |
| 306 | V | B | -0.3427 | |
| 307 | T | B | 0.0000 | |
| 308 | Q | B | -1.8022 | |
| 309 | S | B | -1.0706 | |
| 310 | I | B | 0.0000 | |
| 311 | I | B | 0.0000 | |
| 312 | R | B | -2.0992 | |
| 313 | R | B | -1.8750 | |
| 314 | Y | B | 0.0000 | |
| 315 | W | B | 0.0000 | |
| 316 | E | B | -1.8014 | |
| 317 | L | B | -0.9273 | |
| 318 | N | B | 0.0000 | |
| 319 | V | B | -0.0729 | |
| 320 | E | B | -1.6092 | |
| 321 | P | B | -0.9876 | |
| 322 | S | B | -0.4734 | |
| 323 | S | B | -0.3767 | |
| 324 | L | B | -0.0654 | |
| 325 | L | B | -0.0832 | |
| 326 | T | B | -0.3346 | |
| 327 | P | B | -0.5572 | |
| 328 | V | B | 0.0000 | |
| 329 | Q | B | -1.1219 | |
| 330 | Y | B | -0.0584 |
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 | -0.2273 | 2.8244 | View | CSV | PDB |
| 4.5 | -0.3043 | 2.6634 | View | CSV | PDB |
| 5.0 | -0.3999 | 2.5151 | View | CSV | PDB |
| 5.5 | -0.5019 | 2.4144 | View | CSV | PDB |
| 6.0 | -0.5989 | 2.3107 | View | CSV | PDB |
| 6.5 | -0.6826 | 2.2202 | View | CSV | PDB |
| 7.0 | -0.7497 | 2.1579 | View | CSV | PDB |
| 7.5 | -0.8021 | 2.1263 | View | CSV | PDB |
| 8.0 | -0.8437 | 2.1138 | View | CSV | PDB |
| 8.5 | -0.8744 | 2.1096 | View | CSV | PDB |
| 9.0 | -0.892 | 2.1082 | 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