| Chain sequence(s) |
A: HFKDPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVSANRYLAMKEDGRLLASKSVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQKAILFLPMSA
C: MPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPQPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHIEVNGSKIGPDNLPYVQILKTAGVNTTDKEMEVLHLRNVSFEDAGEYTCLAGNSIGLSHHSAWLTVL B: HFKDPKRLYCKNGGFFLRIHPDGRVDGVREKSDPHIKLQLQAEERGVVSIKGVSANRYLAMKEDGRLLASKSVTDECFFFERLESNNYNTYRSRKYTSWYVALKRTGQYKLGSKTGPGQKAILFLPMSA D: MPVAPYWTSPEKMEKKLHAVPAAKTVKFKCPSSGTPQPTLRWLKNGKEFKPDHRIGGYKVRYATWSIIMDSVVPSDKGNYTCIVENEYGSINHTYQLDVVERSPHRPILQAGLPANKTVALGSNVEFMCKVYSDPQPHIQWLKHVQILKTAGVNTTDKEMEVLHLRNVSFEDAGEYTCLAGNSIGLSHHSAWLTVL input PDB |
| Selected Chain(s) | A,C,B,D |
| 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:20:07)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c04d8e48051bd84/tmp/folded.pdb (00:20:07)
[INFO] Main: Simulation completed successfully. (00:29:47)
|
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 |
|---|---|---|---|---|
| 16 | H | A | -1.4918 | |
| 17 | F | A | 0.0000 | |
| 18 | K | A | -1.9191 | |
| 19 | D | A | -2.3988 | |
| 20 | P | A | -1.4188 | |
| 21 | K | A | -1.1514 | |
| 22 | R | A | -0.9373 | |
| 23 | L | A | 0.0000 | |
| 24 | Y | A | 0.0000 | |
| 25 | C | A | 0.0000 | |
| 26 | K | A | -0.9560 | |
| 27 | N | A | 0.0000 | |
| 28 | G | A | -1.4650 | |
| 29 | G | A | 0.0000 | |
| 30 | F | A | 0.0000 | |
| 31 | F | A | 0.0000 | |
| 32 | L | A | 0.0000 | |
| 33 | R | A | -0.9786 | |
| 34 | I | A | 0.0000 | |
| 35 | H | A | -1.6728 | |
| 36 | P | A | -2.0019 | |
| 37 | D | A | -2.7840 | |
| 38 | G | A | -2.2578 | |
| 39 | R | A | -2.4286 | |
| 40 | V | A | 0.0000 | |
| 41 | D | A | 0.0000 | |
| 42 | G | A | 0.0000 | |
| 43 | V | A | -1.0282 | |
| 44 | R | A | -1.9991 | |
| 45 | E | A | -2.7712 | |
| 46 | K | A | -2.2589 | |
| 47 | S | A | -1.6088 | |
| 48 | D | A | -1.5801 | |
| 49 | P | A | -1.0529 | |
| 50 | H | A | -0.9555 | |
| 51 | I | A | 0.0000 | |
| 52 | K | A | -1.4654 | |
| 53 | L | A | 0.0000 | |
| 54 | Q | A | -0.8796 | |
| 55 | L | A | 0.0000 | |
| 56 | Q | A | 0.0000 | |
| 57 | A | A | 0.0000 | |
| 58 | E | A | -1.3273 | |
| 59 | E | A | -1.9818 | |
| 60 | R | A | -1.5583 | |
| 61 | G | A | 0.0000 | |
| 62 | V | A | 0.0000 | |
| 63 | V | A | 0.0000 | |
| 64 | S | A | 0.0000 | |
| 65 | I | A | 0.0000 | |
| 66 | K | A | -0.8343 | |
| 67 | G | A | 0.0000 | |
| 68 | V | A | -0.4331 | |
| 69 | S | A | -0.6974 | |
| 70 | A | A | 0.0000 | |
| 71 | N | A | -1.8013 | |
| 72 | R | A | -1.9095 | |
| 73 | Y | A | -0.6431 | |
| 74 | L | A | 0.0000 | |
| 75 | A | A | 0.0000 | |
| 76 | M | A | 0.0000 | |
| 77 | K | A | -2.6030 | |
| 78 | E | A | -3.2026 | |
| 79 | D | A | -2.6401 | |
| 80 | G | A | 0.0000 | |
| 81 | R | A | -2.5187 | |
| 82 | L | A | 0.0000 | |
| 83 | L | A | -0.8399 | |
| 84 | A | A | 0.0000 | |
| 85 | S | A | -1.4338 | |
| 86 | K | A | -2.3396 | |
| 87 | S | A | -0.9803 | |
| 88 | V | A | -0.3590 | |
| 89 | T | A | -0.9133 | |
| 90 | D | A | -2.1076 | |
| 91 | E | A | -1.8129 | |
| 92 | C | A | 0.0000 | |
| 93 | F | A | -0.9647 | |
| 94 | F | A | 0.0000 | |
| 95 | F | A | -0.6782 | |
| 96 | E | A | 0.0000 | |
| 97 | R | A | -0.5222 | |
| 98 | L | A | -0.4559 | |
| 99 | E | A | -0.6717 | |
| 100 | S | A | -0.5748 | |
| 101 | N | A | 0.0000 | |
| 102 | N | A | -0.9367 | |
| 103 | Y | A | 0.0000 | |
| 104 | N | A | 0.0000 | |
| 105 | T | A | 0.0000 | |
| 106 | Y | A | 0.0000 | |
| 107 | R | A | -0.7494 | |
| 108 | S | A | 0.0000 | |
| 109 | R | A | -1.8419 | |
| 110 | K | A | -2.2865 | |
| 111 | Y | A | -1.4541 | |
| 112 | T | A | -0.8059 | |
| 113 | S | A | -0.7150 | |
| 114 | W | A | -0.5651 | |
| 115 | Y | A | -0.3703 | |
| 116 | V | A | 0.0000 | |
| 117 | A | A | 0.0000 | |
| 118 | L | A | 0.0000 | |
| 119 | K | A | -2.2461 | |
| 120 | R | A | -2.6628 | |
| 121 | T | A | -1.5308 | |
| 122 | G | A | 0.0000 | |
| 123 | Q | A | -1.6044 | |
| 124 | Y | A | -1.1816 | |
| 125 | K | A | -1.3651 | |
| 126 | L | A | -1.5132 | |
| 127 | G | A | 0.0000 | |
| 128 | S | A | -1.6203 | |
| 129 | K | A | -1.8777 | |
| 130 | T | A | -1.0366 | |
| 131 | G | A | 0.0000 | |
| 132 | P | A | -0.9219 | |
| 133 | G | A | 0.0000 | |
| 134 | Q | A | -1.3862 | |
| 135 | K | A | -1.6495 | |
| 136 | A | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | L | A | 0.0000 | |
| 139 | F | A | 0.0000 | |
| 140 | L | A | 0.0000 | |
| 141 | P | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | S | A | -0.8863 | |
| 144 | A | A | -0.8604 | |
| 16 | H | B | -1.4467 | |
| 17 | F | B | 0.0000 | |
| 18 | K | B | -2.1176 | |
| 19 | D | B | -2.1210 | |
| 20 | P | B | -1.4571 | |
| 21 | K | B | -1.2486 | |
| 22 | R | B | -1.0698 | |
| 23 | L | B | 0.0000 | |
| 24 | Y | B | 0.0000 | |
| 25 | C | B | 0.0000 | |
| 26 | K | B | -1.2284 | |
| 27 | N | B | 0.0000 | |
| 28 | G | B | -1.8104 | |
| 29 | G | B | 0.0000 | |
| 30 | F | B | 0.0000 | |
| 31 | F | B | 0.0000 | |
| 32 | L | B | 0.0000 | |
| 33 | R | B | -0.9902 | |
| 34 | I | B | 0.0000 | |
| 35 | H | B | 0.0000 | |
| 36 | P | B | -1.9681 | |
| 37 | D | B | -2.7461 | |
| 38 | G | B | -2.2111 | |
| 39 | R | B | -2.4141 | |
| 40 | V | B | 0.0000 | |
| 41 | D | B | -0.9548 | |
| 42 | G | B | 0.0000 | |
| 43 | V | B | -0.9422 | |
| 44 | R | B | -1.9712 | |
| 45 | E | B | -2.6679 | |
| 46 | K | B | -2.0773 | |
| 47 | S | B | -1.5314 | |
| 48 | D | B | -1.5258 | |
| 49 | P | B | -1.0733 | |
| 50 | H | B | -0.9904 | |
| 51 | I | B | 0.0000 | |
| 52 | K | B | -1.7519 | |
| 53 | L | B | 0.0000 | |
| 54 | Q | B | -1.2838 | |
| 55 | L | B | 0.0000 | |
| 56 | Q | B | 0.0000 | |
| 57 | A | B | 0.0000 | |
| 58 | E | B | -1.2007 | |
| 59 | E | B | -1.8600 | |
| 60 | R | B | -1.3504 | |
| 61 | G | B | 0.0000 | |
| 62 | V | B | 0.0000 | |
| 63 | V | B | 0.0000 | |
| 64 | S | B | 0.0000 | |
| 65 | I | B | 0.0000 | |
| 66 | K | B | -0.9567 | |
| 67 | G | B | 0.0000 | |
| 68 | V | B | -0.6864 | |
| 69 | S | B | -0.7639 | |
| 70 | A | B | 0.0000 | |
| 71 | N | B | -1.8043 | |
| 72 | R | B | -1.8827 | |
| 73 | Y | B | -0.6801 | |
| 74 | L | B | 0.0000 | |
| 75 | A | B | 0.0000 | |
| 76 | M | B | 0.0000 | |
| 77 | K | B | -2.4325 | |
| 78 | E | B | -3.0905 | |
| 79 | D | B | -2.4417 | |
| 80 | G | B | 0.0000 | |
| 81 | R | B | -2.1338 | |
| 82 | L | B | 0.0000 | |
| 83 | L | B | -0.7044 | |
| 84 | A | B | 0.0000 | |
| 85 | S | B | -1.4163 | |
| 86 | K | B | -2.3303 | |
| 87 | S | B | -0.9195 | |
| 88 | V | B | -0.4866 | |
| 89 | T | B | -0.9396 | |
| 90 | D | B | -2.0789 | |
| 91 | E | B | -1.8009 | |
| 92 | C | B | 0.0000 | |
| 93 | F | B | 0.0000 | |
| 94 | F | B | 0.0000 | |
| 95 | F | B | -0.4575 | |
| 96 | E | B | 0.0000 | |
| 97 | R | B | -0.5093 | |
| 98 | L | B | -0.3405 | |
| 99 | E | B | -0.5853 | |
| 100 | S | B | -0.4079 | |
| 101 | N | B | 0.0000 | |
| 102 | N | B | -0.8154 | |
| 103 | Y | B | 0.0000 | |
| 104 | N | B | 0.0000 | |
| 105 | T | B | 0.0000 | |
| 106 | Y | B | 0.0000 | |
| 107 | R | B | -0.7711 | |
| 108 | S | B | 0.0000 | |
| 109 | R | B | -1.4199 | |
| 110 | K | B | -2.2064 | |
| 111 | Y | B | -1.3411 | |
| 112 | T | B | -0.6640 | |
| 113 | S | B | -0.6867 | |
| 114 | W | B | -0.6141 | |
| 115 | Y | B | 0.0000 | |
| 116 | V | B | 0.0000 | |
| 117 | A | B | 0.0000 | |
| 118 | L | B | 0.0000 | |
| 119 | K | B | -2.2799 | |
| 120 | R | B | -2.7020 | |
| 121 | T | B | -1.4939 | |
| 122 | G | B | 0.0000 | |
| 123 | Q | B | -1.5866 | |
| 124 | Y | B | -1.2215 | |
| 125 | K | B | -1.4714 | |
| 126 | L | B | -1.5355 | |
| 127 | G | B | 0.0000 | |
| 128 | S | B | -1.6161 | |
| 129 | K | B | -1.9440 | |
| 130 | T | B | -1.2559 | |
| 131 | G | B | -1.0947 | |
| 132 | P | B | -0.9586 | |
| 133 | G | B | -1.6082 | |
| 134 | Q | B | -1.7155 | |
| 135 | K | B | -2.4399 | |
| 136 | A | B | 0.0000 | |
| 137 | I | B | 0.0000 | |
| 138 | L | B | 0.0000 | |
| 139 | F | B | 0.0000 | |
| 140 | L | B | 0.0000 | |
| 141 | P | B | -0.2045 | |
| 142 | M | B | -0.3081 | |
| 143 | S | B | -0.8013 | |
| 144 | A | B | -0.7969 | |
| 149 | M | C | 1.0198 | |
| 150 | P | C | 0.3168 | |
| 151 | V | C | 0.5895 | |
| 152 | A | C | 0.2161 | |
| 153 | P | C | 0.0000 | |
| 154 | Y | C | 0.9802 | |
| 155 | W | C | 0.1306 | |
| 156 | T | C | -0.1844 | |
| 157 | S | C | -1.2548 | |
| 158 | P | C | -1.7833 | |
| 159 | E | C | -3.2670 | |
| 160 | K | C | -3.3369 | |
| 161 | M | C | 0.0000 | |
| 162 | E | C | -3.5725 | |
| 163 | K | C | -2.9482 | |
| 164 | K | C | -2.9034 | |
| 165 | L | C | -1.9101 | |
| 166 | H | C | -1.1951 | |
| 167 | A | C | 0.0000 | |
| 168 | V | C | 0.0000 | |
| 169 | P | C | 0.0000 | |
| 170 | A | C | -0.6842 | |
| 171 | A | C | -0.4509 | |
| 172 | K | C | -0.5744 | |
| 173 | T | C | 0.0000 | |
| 174 | V | C | 0.0000 | |
| 175 | K | C | -1.9786 | |
| 176 | F | C | 0.0000 | |
| 177 | K | C | -1.3537 | |
| 178 | C | C | 0.0000 | |
| 179 | P | C | -0.3334 | |
| 180 | S | C | 0.0000 | |
| 181 | S | C | -0.0091 | |
| 182 | G | C | 0.0000 | |
| 183 | T | C | -0.3259 | |
| 184 | P | C | -0.8143 | |
| 185 | Q | C | -1.6029 | |
| 186 | P | C | 0.0000 | |
| 187 | T | C | -0.8567 | |
| 188 | L | C | 0.0000 | |
| 189 | R | C | -1.6517 | |
| 190 | W | C | 0.0000 | |
| 191 | L | C | -2.0358 | |
| 192 | K | C | -2.2909 | |
| 193 | N | C | -2.2349 | |
| 194 | G | C | -2.1773 | |
| 195 | K | C | -3.2501 | |
| 196 | E | C | -3.4997 | |
| 197 | F | C | 0.0000 | |
| 198 | K | C | -2.7546 | |
| 199 | P | C | -1.7821 | |
| 200 | D | C | -1.8873 | |
| 201 | H | C | -2.0743 | |
| 202 | R | C | 0.0000 | |
| 203 | I | C | -0.5281 | |
| 204 | G | C | -1.2064 | |
| 205 | G | C | 0.0000 | |
| 206 | Y | C | -1.4099 | |
| 207 | K | C | -1.8907 | |
| 208 | V | C | -0.9918 | |
| 209 | R | C | -0.6908 | |
| 210 | Y | C | 0.4526 | |
| 211 | A | C | 0.3548 | |
| 212 | T | C | 0.0044 | |
| 213 | W | C | -0.0360 | |
| 214 | S | C | 0.0000 | |
| 215 | I | C | 0.0000 | |
| 216 | I | C | -1.2108 | |
| 217 | M | C | 0.0000 | |
| 218 | D | C | -0.6899 | |
| 219 | S | C | 0.0000 | |
| 220 | V | C | 0.0000 | |
| 221 | V | C | -0.3807 | |
| 222 | P | C | -0.7234 | |
| 223 | S | C | -0.5214 | |
| 224 | D | C | 0.0000 | |
| 225 | K | C | -1.5468 | |
| 226 | G | C | -1.4524 | |
| 227 | N | C | -1.8013 | |
| 228 | Y | C | 0.0000 | |
| 229 | T | C | -1.4748 | |
| 230 | C | C | 0.0000 | |
| 231 | I | C | -0.8130 | |
| 232 | V | C | 0.0000 | |
| 233 | E | C | -1.1477 | |
| 234 | N | C | -1.2590 | |
| 235 | E | C | -1.6184 | |
| 236 | Y | C | 0.1632 | |
| 237 | G | C | -0.0578 | |
| 238 | S | C | -0.4605 | |
| 239 | I | C | -0.2355 | |
| 240 | N | C | -1.2015 | |
| 241 | H | C | -1.1231 | |
| 242 | T | C | -1.1826 | |
| 243 | Y | C | 0.0000 | |
| 244 | Q | C | -1.9130 | |
| 245 | L | C | 0.0000 | |
| 246 | D | C | -0.9958 | |
| 247 | V | C | 0.0000 | |
| 248 | V | C | -0.9212 | |
| 249 | E | C | -1.8849 | |
| 250 | R | C | -1.3919 | |
| 251 | S | C | -1.2942 | |
| 252 | P | C | -1.3598 | |
| 253 | H | C | -1.3355 | |
| 254 | R | C | -1.3246 | |
| 255 | P | C | 0.0000 | |
| 256 | I | C | 0.8183 | |
| 257 | L | C | 0.0000 | |
| 258 | Q | C | -0.2948 | |
| 259 | A | C | -0.2813 | |
| 260 | G | C | -0.6967 | |
| 261 | L | C | -0.5120 | |
| 262 | P | C | 0.0000 | |
| 263 | A | C | -0.8019 | |
| 264 | N | C | -1.2879 | |
| 265 | K | C | -1.1126 | |
| 266 | T | C | 0.1120 | |
| 267 | V | C | 0.4745 | |
| 268 | A | C | 1.1234 | |
| 269 | L | C | 1.3572 | |
| 270 | G | C | -0.3595 | |
| 271 | S | C | -1.0266 | |
| 272 | N | C | -2.8369 | |
| 273 | V | C | 0.0000 | |
| 274 | E | C | -2.5678 | |
| 275 | F | C | 0.0000 | |
| 276 | M | C | -0.2921 | |
| 277 | C | C | 0.0000 | |
| 278 | K | C | -0.4059 | |
| 279 | V | C | 0.0000 | |
| 280 | Y | C | 0.4132 | |
| 281 | S | C | -0.3040 | |
| 282 | D | C | -0.9518 | |
| 283 | P | C | 0.0000 | |
| 284 | Q | C | 0.0000 | |
| 285 | P | C | 0.0000 | |
| 286 | H | C | -0.8792 | |
| 287 | I | C | 0.0000 | |
| 288 | Q | C | -0.1073 | |
| 289 | W | C | 0.0000 | |
| 290 | L | C | 0.0000 | |
| 291 | K | C | 0.1252 | |
| 292 | H | C | 0.1480 | |
| 293 | I | C | -0.2104 | |
| 294 | E | C | -1.1118 | |
| 295 | V | C | 0.4588 | |
| 296 | N | C | -1.1913 | |
| 297 | G | C | -1.1624 | |
| 298 | S | C | -0.7710 | |
| 299 | K | C | -0.5403 | |
| 300 | I | C | 0.4065 | |
| 301 | G | C | -0.0514 | |
| 302 | P | C | -0.9952 | |
| 303 | D | C | -1.8693 | |
| 304 | N | C | -1.2269 | |
| 305 | L | C | 0.6287 | |
| 306 | P | C | 0.5096 | |
| 307 | Y | C | 0.7301 | |
| 308 | V | C | 0.8693 | |
| 309 | Q | C | 0.0801 | |
| 310 | I | C | 0.9196 | |
| 311 | L | C | 0.7106 | |
| 312 | K | C | -0.0601 | |
| 313 | T | C | -0.2055 | |
| 314 | A | C | 0.0000 | |
| 315 | G | C | 0.0000 | |
| 316 | V | C | -0.2045 | |
| 317 | N | C | -1.1008 | |
| 318 | T | C | -1.2805 | |
| 319 | T | C | -1.3963 | |
| 320 | D | C | 0.0000 | |
| 321 | K | C | -2.8334 | |
| 322 | E | C | -2.7417 | |
| 323 | M | C | 0.0000 | |
| 324 | E | C | 0.0000 | |
| 325 | V | C | -1.0992 | |
| 326 | L | C | 0.0000 | |
| 327 | H | C | -2.5384 | |
| 328 | L | C | -2.4602 | |
| 329 | R | C | -3.5176 | |
| 330 | N | C | -2.6742 | |
| 331 | V | C | 0.0000 | |
| 332 | S | C | 0.0302 | |
| 333 | F | C | 1.4227 | |
| 334 | E | C | -0.9141 | |
| 335 | D | C | -0.9833 | |
| 336 | A | C | 0.2737 | |
| 337 | G | C | -0.3565 | |
| 338 | E | C | -0.0938 | |
| 339 | Y | C | 0.0000 | |
| 340 | T | C | 0.0000 | |
| 341 | C | C | 0.0000 | |
| 342 | L | C | -0.1675 | |
| 343 | A | C | 0.0000 | |
| 344 | G | C | 0.0000 | |
| 345 | N | C | 0.0000 | |
| 346 | S | C | -0.3970 | |
| 347 | I | C | 0.2288 | |
| 348 | G | C | -0.2374 | |
| 349 | L | C | 0.1907 | |
| 350 | S | C | 0.0000 | |
| 351 | H | C | -0.6296 | |
| 352 | H | C | -0.6571 | |
| 353 | S | C | -0.5470 | |
| 354 | A | C | 0.0000 | |
| 355 | W | C | -0.0502 | |
| 356 | L | C | 0.0000 | |
| 357 | T | C | 0.5983 | |
| 358 | V | C | 1.4987 | |
| 359 | L | C | 2.3769 | |
| 149 | M | D | 1.0355 | |
| 150 | P | D | 0.3685 | |
| 151 | V | D | 0.6858 | |
| 152 | A | D | 0.3015 | |
| 153 | P | D | 0.0000 | |
| 154 | Y | D | 1.0401 | |
| 155 | W | D | 0.0959 | |
| 156 | T | D | -0.2142 | |
| 157 | S | D | -1.3076 | |
| 158 | P | D | -1.8824 | |
| 159 | E | D | -3.4305 | |
| 160 | K | D | -3.5734 | |
| 161 | M | D | 0.0000 | |
| 162 | E | D | -3.7557 | |
| 163 | K | D | -3.1818 | |
| 164 | K | D | -2.8986 | |
| 165 | L | D | -1.7618 | |
| 166 | H | D | -1.1858 | |
| 167 | A | D | 0.0000 | |
| 168 | V | D | 0.0000 | |
| 169 | P | D | 0.0000 | |
| 170 | A | D | -0.6715 | |
| 171 | A | D | -0.5521 | |
| 172 | K | D | -0.6032 | |
| 173 | T | D | -0.6316 | |
| 174 | V | D | 0.0000 | |
| 175 | K | D | -1.7616 | |
| 176 | F | D | 0.0000 | |
| 177 | K | D | -1.2605 | |
| 178 | C | D | 0.0000 | |
| 179 | P | D | 0.0000 | |
| 180 | S | D | 0.0000 | |
| 181 | S | D | 0.0144 | |
| 182 | G | D | 0.0000 | |
| 183 | T | D | -0.2811 | |
| 184 | P | D | -0.7768 | |
| 185 | Q | D | -1.5860 | |
| 186 | P | D | 0.0000 | |
| 187 | T | D | -0.8559 | |
| 188 | L | D | 0.0000 | |
| 189 | R | D | -1.4171 | |
| 190 | W | D | 0.0000 | |
| 191 | L | D | -1.9556 | |
| 192 | K | D | -2.2101 | |
| 193 | N | D | -2.2729 | |
| 194 | G | D | -2.1857 | |
| 195 | K | D | -3.2239 | |
| 196 | E | D | -3.3717 | |
| 197 | F | D | -2.6148 | |
| 198 | K | D | -3.1073 | |
| 199 | P | D | -2.2999 | |
| 200 | D | D | -2.5401 | |
| 201 | H | D | -2.4057 | |
| 202 | R | D | 0.0000 | |
| 203 | I | D | -0.7061 | |
| 204 | G | D | -1.1055 | |
| 205 | G | D | 0.0000 | |
| 206 | Y | D | 0.0000 | |
| 207 | K | D | -1.9153 | |
| 208 | V | D | -1.2539 | |
| 209 | R | D | -1.4506 | |
| 210 | Y | D | -0.0412 | |
| 211 | A | D | 0.0049 | |
| 212 | T | D | -0.2392 | |
| 213 | W | D | -0.2477 | |
| 214 | S | D | 0.0000 | |
| 215 | I | D | 0.0000 | |
| 216 | I | D | -1.2024 | |
| 217 | M | D | 0.0000 | |
| 218 | D | D | -0.7247 | |
| 219 | S | D | 0.0000 | |
| 220 | V | D | 0.0000 | |
| 221 | V | D | 0.0000 | |
| 222 | P | D | -0.9522 | |
| 223 | S | D | -0.7157 | |
| 224 | D | D | 0.0000 | |
| 225 | K | D | -1.7521 | |
| 226 | G | D | -1.4472 | |
| 227 | N | D | -1.7200 | |
| 228 | Y | D | 0.0000 | |
| 229 | T | D | -1.4018 | |
| 230 | C | D | 0.0000 | |
| 231 | I | D | 0.0000 | |
| 232 | V | D | 0.0000 | |
| 233 | E | D | -1.1368 | |
| 234 | N | D | -1.2098 | |
| 235 | E | D | -1.5730 | |
| 236 | Y | D | 0.2490 | |
| 237 | G | D | 0.0070 | |
| 238 | S | D | -0.4559 | |
| 239 | I | D | -0.2408 | |
| 240 | N | D | -1.2597 | |
| 241 | H | D | -1.2052 | |
| 242 | T | D | -1.1001 | |
| 243 | Y | D | 0.0000 | |
| 244 | Q | D | -1.4685 | |
| 245 | L | D | 0.0000 | |
| 246 | D | D | -0.9418 | |
| 247 | V | D | 0.0000 | |
| 248 | V | D | -0.9708 | |
| 249 | E | D | -1.9313 | |
| 250 | R | D | -1.2918 | |
| 251 | S | D | -1.0820 | |
| 252 | P | D | -1.0543 | |
| 253 | H | D | -0.7199 | |
| 254 | R | D | -0.9372 | |
| 255 | P | D | 0.0000 | |
| 256 | I | D | 0.4921 | |
| 257 | L | D | 0.0000 | |
| 258 | Q | D | -0.4463 | |
| 259 | A | D | -0.3544 | |
| 260 | G | D | -0.6825 | |
| 261 | L | D | -0.4686 | |
| 262 | P | D | 0.0000 | |
| 263 | A | D | -0.6607 | |
| 264 | N | D | -1.1321 | |
| 265 | K | D | -0.9770 | |
| 266 | T | D | 0.1662 | |
| 267 | V | D | 0.4557 | |
| 268 | A | D | 1.0741 | |
| 269 | L | D | 1.2428 | |
| 270 | G | D | -0.4292 | |
| 271 | S | D | -1.0734 | |
| 272 | N | D | -2.7642 | |
| 273 | V | D | 0.0000 | |
| 274 | E | D | -2.1418 | |
| 275 | F | D | 0.0000 | |
| 276 | M | D | -0.1691 | |
| 277 | C | D | 0.0000 | |
| 278 | K | D | -0.4507 | |
| 279 | V | D | 0.0000 | |
| 280 | Y | D | 0.2548 | |
| 281 | S | D | -0.2547 | |
| 282 | D | D | -0.8304 | |
| 283 | P | D | 0.0000 | |
| 284 | Q | D | 0.0000 | |
| 285 | P | D | 0.0000 | |
| 286 | H | D | -0.8448 | |
| 287 | I | D | 0.0000 | |
| 288 | Q | D | -0.1839 | |
| 289 | W | D | 0.0000 | |
| 290 | L | D | 0.0000 | |
| 291 | K | D | -0.2543 | |
| 292 | H | D | -0.4706 | |
| 308 | V | D | 1.0499 | |
| 309 | Q | D | 0.0530 | |
| 310 | I | D | 1.0060 | |
| 311 | L | D | 0.7278 | |
| 312 | K | D | -0.1230 | |
| 313 | T | D | -0.3832 | |
| 314 | A | D | 0.0000 | |
| 315 | G | D | 0.0000 | |
| 316 | V | D | -0.0747 | |
| 317 | N | D | -0.9891 | |
| 318 | T | D | -1.1295 | |
| 319 | T | D | -1.3376 | |
| 320 | D | D | -1.7669 | |
| 321 | K | D | -2.5804 | |
| 322 | E | D | -2.1120 | |
| 323 | M | D | 0.0000 | |
| 324 | E | D | 0.0000 | |
| 325 | V | D | -0.7577 | |
| 326 | L | D | 0.0000 | |
| 327 | H | D | -2.2821 | |
| 328 | L | D | -2.3401 | |
| 329 | R | D | -3.4522 | |
| 330 | N | D | -2.7145 | |
| 331 | V | D | 0.0000 | |
| 332 | S | D | -0.0184 | |
| 333 | F | D | 1.3892 | |
| 334 | E | D | -1.0395 | |
| 335 | D | D | -1.1556 | |
| 336 | A | D | 0.1244 | |
| 337 | G | D | -0.4026 | |
| 338 | E | D | -0.2912 | |
| 339 | Y | D | 0.0000 | |
| 340 | T | D | 0.0000 | |
| 341 | C | D | 0.0000 | |
| 342 | L | D | -0.1801 | |
| 343 | A | D | 0.0000 | |
| 344 | G | D | 0.0000 | |
| 345 | N | D | 0.0000 | |
| 346 | S | D | -0.1727 | |
| 347 | I | D | 0.5744 | |
| 348 | G | D | 0.0864 | |
| 349 | L | D | 0.4407 | |
| 350 | S | D | 0.0000 | |
| 351 | H | D | -0.6691 | |
| 352 | H | D | -0.6964 | |
| 353 | S | D | -0.5622 | |
| 354 | A | D | 0.0000 | |
| 355 | W | D | 0.2618 | |
| 356 | L | D | 0.0000 | |
| 357 | T | D | 0.6722 | |
| 358 | V | D | 1.5008 | |
| 359 | L | D | 2.3479 |
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 | -0.7798 | 4.5644 | View | CSV | PDB |
| 4.5 | -0.8274 | 4.4302 | View | CSV | PDB |
| 5.0 | -0.8834 | 4.2229 | View | CSV | PDB |
| 5.5 | -0.934 | 3.9716 | View | CSV | PDB |
| 6.0 | -0.9646 | 3.7128 | View | CSV | PDB |
| 6.5 | -0.9639 | 3.4811 | View | CSV | PDB |
| 7.0 | -0.9336 | 3.4565 | View | CSV | PDB |
| 7.5 | -0.8857 | 3.4565 | View | CSV | PDB |
| 8.0 | -0.8299 | 3.4565 | View | CSV | PDB |
| 8.5 | -0.7689 | 3.4565 | View | CSV | PDB |
| 9.0 | -0.7037 | 3.4565 | 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