| Chain sequence(s) |
A: MVPEVIEIDGKQWRLIWHDEFEGSEVNKEYWTFEKGNGIAYGIPGWGNGELEYYTENNTYIVNGTLVIEARKEIITDPNEGTFLYTSSRLKTEGKVEFSPPVVVEARIKLPKGKGLWPAFWMLGSNIREVGWPNCGEIDIMEFLGHEPRTIHGTVHGPGYSGSKGITRAYTLPEGVPDFTEDFHVFGIVWYPDKIKWYVDGTFYHEVTKEQVEAMGYEWVFDKPFYIILNLAVGGYWPGNPDATTPFPAKMVVDYVRVYSFVSG
B: VPEVIEIDGKQWRLIWHDEFEGSEVNKEYWTFEKGNGIAYGIPGWGNGELEYYTENNTYIVNGTLVIEARKEIITDPNEGTFLYTSSRLKTEGKVEFSPPVVVEARIKLPKGKGLWPAFWMLGSNIREVGWPNCGEIDIMEFLGHEPRTIHGTVHGPGYSGSKGITRAYTLPEGVPDFTEDFHVFGIVWYPDKIKWYVDGTFYHEVTKEQVEAMGYEWVFDKPFYIILNLAVGGYWPGNPDATTPFPAKMVVDYVRVYSFVSG 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. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:01)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5b718a6d449d611/tmp/folded.pdb (00:09:01)
[INFO] Main: Simulation completed successfully. (00:12:56)
|
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 |
|---|---|---|---|---|
| 34 | M | A | 0.7740 | |
| 35 | V | A | 0.5106 | |
| 36 | P | A | -0.4358 | |
| 37 | E | A | -1.4978 | |
| 38 | V | A | -0.5872 | |
| 39 | I | A | -0.5067 | |
| 40 | E | A | -0.8378 | |
| 41 | I | A | 0.0000 | |
| 42 | D | A | 0.0000 | |
| 43 | G | A | -0.7418 | |
| 44 | K | A | -0.7423 | |
| 45 | Q | A | -0.8459 | |
| 46 | W | A | 0.0000 | |
| 47 | R | A | -1.4121 | |
| 48 | L | A | -0.3017 | |
| 49 | I | A | 0.7618 | |
| 50 | W | A | 0.0000 | |
| 51 | H | A | 0.0536 | |
| 52 | D | A | 0.0000 | |
| 53 | E | A | -0.8733 | |
| 54 | F | A | 0.0000 | |
| 55 | E | A | -2.6265 | |
| 56 | G | A | -2.0367 | |
| 57 | S | A | -1.6165 | |
| 58 | E | A | -2.3035 | |
| 59 | V | A | -1.8375 | |
| 60 | N | A | -2.1607 | |
| 61 | K | A | -2.5938 | |
| 62 | E | A | -2.6670 | |
| 63 | Y | A | -1.7183 | |
| 64 | W | A | 0.0000 | |
| 65 | T | A | -1.1594 | |
| 66 | F | A | -1.0125 | |
| 67 | E | A | 0.0000 | |
| 68 | K | A | -1.9057 | |
| 69 | G | A | 0.0000 | |
| 70 | N | A | 0.0000 | |
| 71 | G | A | 0.0000 | |
| 72 | I | A | 0.4937 | |
| 73 | A | A | 0.3305 | |
| 74 | Y | A | 1.1754 | |
| 75 | G | A | 0.6696 | |
| 76 | I | A | 1.0750 | |
| 77 | P | A | 0.3546 | |
| 78 | G | A | 0.0000 | |
| 79 | W | A | 0.0000 | |
| 80 | G | A | -0.1667 | |
| 81 | N | A | -0.1852 | |
| 82 | G | A | -0.0430 | |
| 83 | E | A | 0.0000 | |
| 84 | L | A | 0.4032 | |
| 85 | E | A | 0.0000 | |
| 86 | Y | A | 0.0000 | |
| 87 | Y | A | 0.0000 | |
| 88 | T | A | -1.7654 | |
| 89 | E | A | -2.4809 | |
| 90 | N | A | -1.9749 | |
| 91 | N | A | 0.0000 | |
| 92 | T | A | 0.0000 | |
| 93 | Y | A | -0.1179 | |
| 94 | I | A | 0.0000 | |
| 95 | V | A | -0.2083 | |
| 96 | N | A | -1.3470 | |
| 97 | G | A | -1.3930 | |
| 98 | T | A | -0.6729 | |
| 99 | L | A | 0.0000 | |
| 100 | V | A | 0.0000 | |
| 101 | I | A | 0.0000 | |
| 102 | E | A | -0.8688 | |
| 103 | A | A | 0.0000 | |
| 104 | R | A | -1.0684 | |
| 105 | K | A | -1.3824 | |
| 106 | E | A | -0.2704 | |
| 107 | I | A | 1.8633 | |
| 108 | I | A | 1.2002 | |
| 109 | T | A | 0.3202 | |
| 110 | D | A | -0.8064 | |
| 111 | P | A | -1.0914 | |
| 112 | N | A | -1.5729 | |
| 113 | E | A | -1.0321 | |
| 114 | G | A | -0.6657 | |
| 115 | T | A | 0.4720 | |
| 116 | F | A | 1.0850 | |
| 117 | L | A | 1.3245 | |
| 118 | Y | A | 0.3993 | |
| 119 | T | A | 0.0000 | |
| 120 | S | A | 0.0000 | |
| 121 | S | A | 0.0000 | |
| 122 | R | A | -0.6870 | |
| 123 | L | A | 0.0000 | |
| 124 | K | A | 0.0000 | |
| 125 | T | A | 0.0000 | |
| 126 | E | A | -1.0896 | |
| 127 | G | A | -1.5403 | |
| 128 | K | A | -2.1437 | |
| 129 | V | A | -1.5111 | |
| 130 | E | A | -2.1194 | |
| 131 | F | A | 0.0000 | |
| 132 | S | A | -1.3439 | |
| 133 | P | A | 0.0000 | |
| 134 | P | A | -0.1958 | |
| 135 | V | A | 0.0000 | |
| 136 | V | A | 0.0000 | |
| 137 | V | A | 0.0000 | |
| 138 | E | A | -0.3167 | |
| 139 | A | A | 0.0000 | |
| 140 | R | A | -0.5026 | |
| 141 | I | A | 0.0000 | |
| 142 | K | A | -1.2058 | |
| 143 | L | A | 0.0000 | |
| 144 | P | A | 0.0000 | |
| 145 | K | A | -2.6247 | |
| 146 | G | A | 0.0000 | |
| 147 | K | A | -2.0637 | |
| 148 | G | A | 0.0000 | |
| 149 | L | A | 0.0000 | |
| 150 | W | A | 0.0000 | |
| 151 | P | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | F | A | 0.0000 | |
| 154 | W | A | 0.0754 | |
| 155 | M | A | 0.0000 | |
| 156 | L | A | 0.0000 | |
| 157 | G | A | 0.0000 | |
| 158 | S | A | -1.3698 | |
| 159 | N | A | -1.4446 | |
| 160 | I | A | -1.2040 | |
| 161 | R | A | -2.4231 | |
| 162 | E | A | -2.4279 | |
| 163 | V | A | -0.8094 | |
| 164 | G | A | -0.7684 | |
| 165 | W | A | -0.0752 | |
| 166 | P | A | -0.1627 | |
| 167 | N | A | -1.0027 | |
| 168 | C | A | 0.0000 | |
| 169 | G | A | 0.0000 | |
| 170 | E | A | -0.1924 | |
| 171 | I | A | 0.0000 | |
| 172 | D | A | 0.0000 | |
| 173 | I | A | 0.0000 | |
| 174 | M | A | 0.0000 | |
| 175 | E | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | L | A | 0.0000 | |
| 178 | G | A | 0.0000 | |
| 179 | H | A | -1.8784 | |
| 180 | E | A | -2.0924 | |
| 181 | P | A | -1.8668 | |
| 182 | R | A | -1.7254 | |
| 183 | T | A | -0.7424 | |
| 184 | I | A | 0.0000 | |
| 185 | H | A | -0.5536 | |
| 186 | G | A | 0.0000 | |
| 187 | T | A | 0.0000 | |
| 188 | V | A | 0.0000 | |
| 189 | H | A | 0.0000 | |
| 190 | G | A | 0.0000 | |
| 191 | P | A | -0.9114 | |
| 192 | G | A | -0.9167 | |
| 193 | Y | A | 0.0000 | |
| 194 | S | A | -1.0521 | |
| 195 | G | A | -1.1873 | |
| 196 | S | A | -1.1497 | |
| 197 | K | A | -1.9543 | |
| 198 | G | A | -1.2081 | |
| 199 | I | A | -0.7566 | |
| 200 | T | A | -1.1812 | |
| 201 | R | A | -1.6820 | |
| 202 | A | A | -0.7277 | |
| 203 | Y | A | -0.3494 | |
| 204 | T | A | -0.7913 | |
| 205 | L | A | 0.0000 | |
| 206 | P | A | -1.2201 | |
| 207 | E | A | -2.0991 | |
| 208 | G | A | -1.1077 | |
| 209 | V | A | -0.6006 | |
| 210 | P | A | -1.1370 | |
| 211 | D | A | -1.7759 | |
| 212 | F | A | 0.0000 | |
| 213 | T | A | -2.0286 | |
| 214 | E | A | -2.4441 | |
| 215 | D | A | -1.4147 | |
| 216 | F | A | -0.5355 | |
| 217 | H | A | 0.0000 | |
| 218 | V | A | -0.2979 | |
| 219 | F | A | 0.0000 | |
| 220 | G | A | 0.0000 | |
| 221 | I | A | 0.0000 | |
| 222 | V | A | 0.0000 | |
| 223 | W | A | 0.0000 | |
| 224 | Y | A | -0.7589 | |
| 225 | P | A | -1.6433 | |
| 226 | D | A | -2.1027 | |
| 227 | K | A | -1.9160 | |
| 228 | I | A | 0.0000 | |
| 229 | K | A | -0.8062 | |
| 230 | W | A | 0.0000 | |
| 231 | Y | A | 0.0000 | |
| 232 | V | A | 0.0000 | |
| 233 | D | A | -1.1334 | |
| 234 | G | A | -0.7243 | |
| 235 | T | A | -0.5989 | |
| 236 | F | A | -0.5148 | |
| 237 | Y | A | 0.0000 | |
| 238 | H | A | -1.0960 | |
| 239 | E | A | -1.6001 | |
| 240 | V | A | 0.0000 | |
| 241 | T | A | -2.1426 | |
| 242 | K | A | -3.0898 | |
| 243 | E | A | -3.0934 | |
| 244 | Q | A | -2.0602 | |
| 245 | V | A | 0.0000 | |
| 246 | E | A | -2.9751 | |
| 247 | A | A | -1.4884 | |
| 248 | M | A | -0.4949 | |
| 249 | G | A | -1.1762 | |
| 250 | Y | A | -1.4082 | |
| 251 | E | A | -2.3022 | |
| 252 | W | A | 0.0000 | |
| 253 | V | A | -1.4468 | |
| 254 | F | A | 0.0000 | |
| 255 | D | A | -2.6489 | |
| 256 | K | A | -2.2705 | |
| 257 | P | A | -1.5759 | |
| 258 | F | A | 0.0000 | |
| 259 | Y | A | 0.0000 | |
| 260 | I | A | 0.0000 | |
| 261 | I | A | 0.0000 | |
| 262 | L | A | 0.0000 | |
| 263 | N | A | 0.0000 | |
| 264 | L | A | 0.0000 | |
| 265 | A | A | 0.0000 | |
| 266 | V | A | 0.0000 | |
| 267 | G | A | 0.0000 | |
| 268 | G | A | 0.2082 | |
| 269 | Y | A | 1.0742 | |
| 270 | W | A | 0.9094 | |
| 271 | P | A | 0.0000 | |
| 272 | G | A | -0.4588 | |
| 273 | N | A | -1.3628 | |
| 274 | P | A | 0.0000 | |
| 275 | D | A | -1.3648 | |
| 276 | A | A | -0.4722 | |
| 277 | T | A | -0.7134 | |
| 278 | T | A | -1.2315 | |
| 279 | P | A | -0.9425 | |
| 280 | F | A | -0.7811 | |
| 281 | P | A | -0.9113 | |
| 282 | A | A | 0.0000 | |
| 283 | K | A | -1.3207 | |
| 284 | M | A | 0.0000 | |
| 285 | V | A | -0.1456 | |
| 286 | V | A | 0.0000 | |
| 287 | D | A | -0.7111 | |
| 288 | Y | A | 0.0000 | |
| 289 | V | A | 0.0000 | |
| 290 | R | A | 0.0000 | |
| 291 | V | A | 0.0000 | |
| 292 | Y | A | 0.0000 | |
| 293 | S | A | 0.2490 | |
| 294 | F | A | 0.5647 | |
| 295 | V | A | 0.4252 | |
| 296 | S | A | -0.3480 | |
| 297 | G | A | -0.6526 | |
| 35 | V | B | 1.2648 | |
| 36 | P | B | -0.0971 | |
| 37 | E | B | -1.1536 | |
| 38 | V | B | -0.5819 | |
| 39 | I | B | -0.7789 | |
| 40 | E | B | -1.5720 | |
| 41 | I | B | -0.6616 | |
| 42 | D | B | 0.0000 | |
| 43 | G | B | -1.0340 | |
| 44 | K | B | -1.0791 | |
| 45 | Q | B | -1.2808 | |
| 46 | W | B | 0.0000 | |
| 47 | R | B | -1.2586 | |
| 48 | L | B | 0.2939 | |
| 49 | I | B | 1.5134 | |
| 50 | W | B | 0.0000 | |
| 51 | H | B | 0.2641 | |
| 52 | D | B | 0.0000 | |
| 53 | E | B | -1.0602 | |
| 54 | F | B | 0.0000 | |
| 55 | E | B | -2.7018 | |
| 56 | G | B | -2.0672 | |
| 57 | S | B | -1.6852 | |
| 58 | E | B | -2.4669 | |
| 59 | V | B | 0.0000 | |
| 60 | N | B | -2.4781 | |
| 61 | K | B | -3.0443 | |
| 62 | E | B | -2.8933 | |
| 63 | Y | B | -1.8690 | |
| 64 | W | B | 0.0000 | |
| 65 | T | B | -1.2032 | |
| 66 | F | B | -0.9305 | |
| 67 | E | B | 0.0000 | |
| 68 | K | B | -1.8080 | |
| 69 | G | B | 0.0000 | |
| 70 | N | B | 0.0000 | |
| 71 | G | B | 0.0000 | |
| 72 | I | B | 0.6065 | |
| 73 | A | B | 0.5196 | |
| 74 | Y | B | 1.5737 | |
| 75 | G | B | 0.8447 | |
| 76 | I | B | 1.1200 | |
| 77 | P | B | 0.3205 | |
| 78 | G | B | 0.0000 | |
| 79 | W | B | 0.0000 | |
| 80 | G | B | -0.1736 | |
| 81 | N | B | -0.2038 | |
| 82 | G | B | -0.3024 | |
| 83 | E | B | 0.0000 | |
| 84 | L | B | 0.2047 | |
| 85 | E | B | 0.0000 | |
| 86 | Y | B | 0.0000 | |
| 87 | Y | B | 0.0000 | |
| 88 | T | B | -1.4989 | |
| 89 | E | B | -1.9548 | |
| 90 | N | B | -1.7073 | |
| 91 | N | B | 0.0000 | |
| 92 | T | B | 0.0000 | |
| 93 | Y | B | -0.2286 | |
| 94 | I | B | 0.0000 | |
| 95 | V | B | -0.2387 | |
| 96 | N | B | -1.3196 | |
| 97 | G | B | -1.4081 | |
| 98 | T | B | 0.0000 | |
| 99 | L | B | 0.0000 | |
| 100 | V | B | 0.0000 | |
| 101 | I | B | 0.0000 | |
| 102 | E | B | 0.0000 | |
| 103 | A | B | 0.0000 | |
| 104 | R | B | -1.1956 | |
| 105 | K | B | -1.5315 | |
| 106 | E | B | -0.3496 | |
| 107 | I | B | 1.7841 | |
| 108 | I | B | 1.0995 | |
| 109 | T | B | 0.2618 | |
| 110 | D | B | -0.8195 | |
| 111 | P | B | -1.0982 | |
| 112 | N | B | -1.5737 | |
| 113 | E | B | -1.0292 | |
| 114 | G | B | -0.6703 | |
| 115 | T | B | 0.4222 | |
| 116 | F | B | 1.0087 | |
| 117 | L | B | 1.1771 | |
| 118 | Y | B | 0.2770 | |
| 119 | T | B | 0.0000 | |
| 120 | S | B | 0.0000 | |
| 121 | S | B | 0.0000 | |
| 122 | R | B | -0.6146 | |
| 123 | L | B | 0.0000 | |
| 124 | K | B | 0.0000 | |
| 125 | T | B | 0.0000 | |
| 126 | E | B | -1.0273 | |
| 127 | G | B | -1.4533 | |
| 128 | K | B | -2.1093 | |
| 129 | V | B | -1.3918 | |
| 130 | E | B | -1.8743 | |
| 131 | F | B | 0.0000 | |
| 132 | S | B | -1.1804 | |
| 133 | P | B | 0.0000 | |
| 134 | P | B | -0.2148 | |
| 135 | V | B | 0.0000 | |
| 136 | V | B | 0.0000 | |
| 137 | V | B | 0.0000 | |
| 138 | E | B | 0.0000 | |
| 139 | A | B | 0.0000 | |
| 140 | R | B | -0.7783 | |
| 141 | I | B | 0.0000 | |
| 142 | K | B | -1.3589 | |
| 143 | L | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | K | B | -2.3122 | |
| 146 | G | B | -1.6367 | |
| 147 | K | B | -2.0460 | |
| 148 | G | B | 0.0000 | |
| 149 | L | B | 0.0000 | |
| 150 | W | B | 0.0000 | |
| 151 | P | B | 0.0000 | |
| 152 | A | B | 0.0000 | |
| 153 | F | B | 0.0000 | |
| 154 | W | B | 0.0395 | |
| 155 | M | B | 0.0000 | |
| 156 | L | B | 0.0000 | |
| 157 | G | B | 0.0000 | |
| 158 | S | B | -1.3224 | |
| 159 | N | B | -1.4774 | |
| 160 | I | B | -1.0840 | |
| 161 | R | B | -2.3636 | |
| 162 | E | B | -2.2795 | |
| 163 | V | B | -0.4316 | |
| 164 | G | B | -0.5585 | |
| 165 | W | B | 0.0725 | |
| 166 | P | B | 0.0121 | |
| 167 | N | B | -0.7279 | |
| 168 | C | B | 0.0000 | |
| 169 | G | B | 0.0000 | |
| 170 | E | B | -0.1284 | |
| 171 | I | B | 0.0000 | |
| 172 | D | B | 0.0000 | |
| 173 | I | B | 0.0000 | |
| 174 | M | B | 0.0000 | |
| 175 | E | B | -0.2550 | |
| 176 | F | B | 0.0000 | |
| 177 | L | B | -0.6782 | |
| 178 | G | B | 0.0000 | |
| 179 | H | B | -1.7028 | |
| 180 | E | B | -1.7896 | |
| 181 | P | B | -1.5495 | |
| 182 | R | B | -1.3070 | |
| 183 | T | B | -0.5738 | |
| 184 | I | B | 0.0000 | |
| 185 | H | B | -0.7455 | |
| 186 | G | B | 0.0000 | |
| 187 | T | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | H | B | 0.0000 | |
| 190 | G | B | 0.0000 | |
| 191 | P | B | -0.8978 | |
| 192 | G | B | -1.0072 | |
| 193 | Y | B | 0.0000 | |
| 194 | S | B | -0.9415 | |
| 195 | G | B | -0.9512 | |
| 196 | S | B | -1.0275 | |
| 197 | K | B | -1.8874 | |
| 198 | G | B | -1.1596 | |
| 199 | I | B | -0.7102 | |
| 200 | T | B | -1.2821 | |
| 201 | R | B | -1.9462 | |
| 202 | A | B | -0.9051 | |
| 203 | Y | B | -0.3758 | |
| 204 | T | B | -0.6813 | |
| 205 | L | B | 0.0000 | |
| 206 | P | B | -0.7948 | |
| 207 | E | B | -1.9011 | |
| 208 | G | B | -1.1592 | |
| 209 | V | B | -0.7396 | |
| 210 | P | B | -1.1148 | |
| 211 | D | B | 0.0000 | |
| 212 | F | B | 0.0000 | |
| 213 | T | B | 0.0000 | |
| 214 | E | B | -2.4585 | |
| 215 | D | B | -1.7282 | |
| 216 | F | B | -0.8664 | |
| 217 | H | B | 0.0000 | |
| 218 | V | B | -0.3047 | |
| 219 | F | B | 0.0000 | |
| 220 | G | B | 0.0000 | |
| 221 | I | B | 0.0000 | |
| 222 | V | B | 0.0000 | |
| 223 | W | B | 0.0000 | |
| 224 | Y | B | -0.6676 | |
| 225 | P | B | -1.4414 | |
| 226 | D | B | -2.1732 | |
| 227 | K | B | -1.9380 | |
| 228 | I | B | 0.0000 | |
| 229 | K | B | 0.0000 | |
| 230 | W | B | 0.0000 | |
| 231 | Y | B | 0.0000 | |
| 232 | V | B | 0.0000 | |
| 233 | D | B | -1.0949 | |
| 234 | G | B | -0.6956 | |
| 235 | T | B | -0.5262 | |
| 236 | F | B | 0.0000 | |
| 237 | Y | B | 0.0000 | |
| 238 | H | B | 0.0000 | |
| 239 | E | B | -1.4323 | |
| 240 | V | B | 0.0000 | |
| 241 | T | B | -2.2210 | |
| 242 | K | B | -3.0553 | |
| 243 | E | B | -3.4755 | |
| 244 | Q | B | -2.5594 | |
| 245 | V | B | 0.0000 | |
| 246 | E | B | -3.0926 | |
| 247 | A | B | -1.6931 | |
| 248 | M | B | -0.9114 | |
| 249 | G | B | -1.3905 | |
| 250 | Y | B | -1.6606 | |
| 251 | E | B | -2.5253 | |
| 252 | W | B | 0.0000 | |
| 253 | V | B | -1.1991 | |
| 254 | F | B | 0.0000 | |
| 255 | D | B | -2.0122 | |
| 256 | K | B | -2.0029 | |
| 257 | P | B | -1.4215 | |
| 258 | F | B | 0.0000 | |
| 259 | Y | B | 0.0000 | |
| 260 | I | B | 0.0000 | |
| 261 | I | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | N | B | 0.0000 | |
| 264 | L | B | 0.0000 | |
| 265 | A | B | 0.0000 | |
| 266 | V | B | 0.0000 | |
| 267 | G | B | 0.0000 | |
| 268 | G | B | 0.0000 | |
| 269 | Y | B | 1.1283 | |
| 270 | W | B | 1.0784 | |
| 271 | P | B | 0.0000 | |
| 272 | G | B | -0.4515 | |
| 273 | N | B | -1.5139 | |
| 274 | P | B | -1.6518 | |
| 275 | D | B | -1.9788 | |
| 276 | A | B | -0.7825 | |
| 277 | T | B | -0.8162 | |
| 278 | T | B | 0.0000 | |
| 279 | P | B | -1.1263 | |
| 280 | F | B | -1.0307 | |
| 281 | P | B | -1.0432 | |
| 282 | A | B | 0.0000 | |
| 283 | K | B | -1.3905 | |
| 284 | M | B | 0.0000 | |
| 285 | V | B | -0.2705 | |
| 286 | V | B | 0.0000 | |
| 287 | D | B | -0.8523 | |
| 288 | Y | B | 0.0000 | |
| 289 | V | B | 0.0000 | |
| 290 | R | B | 0.1353 | |
| 291 | V | B | 0.0000 | |
| 292 | Y | B | 0.0000 | |
| 293 | S | B | 0.4036 | |
| 294 | F | B | 0.4450 | |
| 295 | V | B | -0.0132 | |
| 296 | S | B | -0.6061 | |
| 297 | G | B | -0.8472 |
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 | -0.2628 | 3.2993 | View | CSV | PDB |
| 4.5 | -0.3214 | 3.2993 | View | CSV | PDB |
| 5.0 | -0.397 | 3.2993 | View | CSV | PDB |
| 5.5 | -0.4754 | 3.2993 | View | CSV | PDB |
| 6.0 | -0.5411 | 3.2993 | View | CSV | PDB |
| 6.5 | -0.5805 | 3.2993 | View | CSV | PDB |
| 7.0 | -0.5893 | 3.2993 | View | CSV | PDB |
| 7.5 | -0.5748 | 3.2992 | View | CSV | PDB |
| 8.0 | -0.5477 | 3.2989 | View | CSV | PDB |
| 8.5 | -0.5138 | 3.2979 | View | CSV | PDB |
| 9.0 | -0.4753 | 3.295 | 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