| Chain sequence(s) |
A: SSSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENL
C: SSVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENL B: SVPSQKTYQGSYGFRLGFLHSGTAKSVTCTYSPALNKMFCQLAKTCPVQLWVDSTPPPGTRVRAMAIYKQSQHMTEVVRRCPHHERCSDSDGLAPPQHLIRVEGNLRVEYLDDRNTFRHSVVVPYEPPEVGSDCTTIHYNYMCNSSCMGGMNRRPILTIITLEDSSGNLLGRNSFEVRVCACPGRDRRTEEENL input PDB |
| Selected Chain(s) | A,C,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 (00:06:34)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/104847fd496bccc/tmp/folded.pdb (00:06:34)
[INFO] Main: Simulation completed successfully. (00:08:59)
|
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 |
|---|---|---|---|---|
| 94 | S | A | -0.5323 | |
| 95 | S | A | 0.0000 | |
| 96 | S | A | -0.2583 | |
| 97 | V | A | 0.2348 | |
| 98 | P | A | -0.2226 | |
| 99 | S | A | -0.9470 | |
| 100 | Q | A | -1.6230 | |
| 101 | K | A | -2.0431 | |
| 102 | T | A | -1.1528 | |
| 103 | Y | A | -0.2651 | |
| 104 | Q | A | -1.1069 | |
| 105 | G | A | -0.4326 | |
| 106 | S | A | -0.4209 | |
| 107 | Y | A | -0.7796 | |
| 108 | G | A | -1.1124 | |
| 109 | F | A | 0.0000 | |
| 110 | R | A | -1.9339 | |
| 111 | L | A | -0.7228 | |
| 112 | G | A | -0.1836 | |
| 113 | F | A | 0.4087 | |
| 114 | L | A | 0.4955 | |
| 115 | H | A | -0.5897 | |
| 116 | S | A | -0.3305 | |
| 117 | G | A | -0.8779 | |
| 118 | T | A | -1.5532 | |
| 119 | A | A | -1.3789 | |
| 120 | K | A | -2.0866 | |
| 121 | S | A | -1.1133 | |
| 122 | V | A | -0.6513 | |
| 123 | T | A | -0.3954 | |
| 124 | C | A | -0.1370 | |
| 125 | T | A | 0.0000 | |
| 126 | Y | A | -0.1304 | |
| 127 | S | A | 0.0000 | |
| 128 | P | A | -0.4495 | |
| 129 | A | A | 0.0524 | |
| 130 | L | A | 0.0133 | |
| 131 | N | A | -0.5931 | |
| 132 | K | A | 0.0000 | |
| 133 | M | A | 0.0000 | |
| 134 | F | A | 0.0000 | |
| 135 | C | A | 0.0000 | |
| 136 | Q | A | -0.2980 | |
| 137 | L | A | -0.0144 | |
| 138 | A | A | -0.5329 | |
| 139 | K | A | -1.2008 | |
| 140 | T | A | -0.8553 | |
| 141 | C | A | 0.0000 | |
| 142 | P | A | -0.2183 | |
| 143 | V | A | 0.0000 | |
| 144 | Q | A | -0.3306 | |
| 145 | L | A | 0.0000 | |
| 146 | W | A | -1.0246 | |
| 147 | V | A | -1.2610 | |
| 148 | D | A | -1.9728 | |
| 149 | S | A | -0.9261 | |
| 150 | T | A | -0.5937 | |
| 151 | P | A | 0.0000 | |
| 152 | P | A | -0.4283 | |
| 153 | P | A | -0.6884 | |
| 154 | G | A | -0.8980 | |
| 155 | T | A | 0.0000 | |
| 156 | R | A | -0.8492 | |
| 157 | V | A | 0.0000 | |
| 158 | R | A | -0.4375 | |
| 159 | A | A | 0.0000 | |
| 160 | M | A | -0.0203 | |
| 161 | A | A | -0.1313 | |
| 162 | I | A | 0.0000 | |
| 163 | Y | A | 0.0000 | |
| 164 | K | A | -1.6569 | |
| 165 | Q | A | -1.5050 | |
| 166 | S | A | -1.2808 | |
| 167 | Q | A | -1.7402 | |
| 168 | H | A | -1.1666 | |
| 169 | M | A | -0.6310 | |
| 170 | T | A | 0.0000 | |
| 171 | E | A | 0.0000 | |
| 172 | V | A | 0.0000 | |
| 173 | V | A | 0.0000 | |
| 174 | R | A | -0.7626 | |
| 175 | R | A | 0.0000 | |
| 176 | C | A | 0.0000 | |
| 177 | P | A | -1.2264 | |
| 178 | H | A | -1.5934 | |
| 179 | H | A | -1.5385 | |
| 180 | E | A | 0.0000 | |
| 181 | R | A | -2.3574 | |
| 182 | C | A | -1.3078 | |
| 183 | S | A | -1.1446 | |
| 184 | D | A | -1.5628 | |
| 185 | S | A | -1.5488 | |
| 186 | D | A | -1.9671 | |
| 187 | G | A | -0.9855 | |
| 188 | L | A | -0.0995 | |
| 189 | A | A | 0.0000 | |
| 190 | P | A | -0.4265 | |
| 191 | P | A | -1.0932 | |
| 192 | Q | A | -1.0025 | |
| 193 | H | A | 0.0000 | |
| 194 | L | A | 0.0000 | |
| 195 | I | A | 0.0000 | |
| 196 | R | A | 0.0000 | |
| 197 | V | A | 0.0000 | |
| 198 | E | A | -1.2307 | |
| 199 | G | A | -1.0759 | |
| 200 | N | A | -0.7183 | |
| 201 | L | A | 0.2469 | |
| 202 | R | A | -1.4348 | |
| 203 | V | A | 0.0000 | |
| 204 | E | A | -0.9907 | |
| 205 | Y | A | -0.3663 | |
| 206 | L | A | -0.7204 | |
| 207 | D | A | -2.2922 | |
| 208 | D | A | -2.5875 | |
| 209 | R | A | -3.0825 | |
| 210 | N | A | -2.4120 | |
| 211 | T | A | -1.3719 | |
| 212 | F | A | -0.9441 | |
| 213 | R | A | 0.0000 | |
| 214 | H | A | -0.8349 | |
| 215 | S | A | -0.4794 | |
| 216 | V | A | 0.0000 | |
| 217 | V | A | 0.0000 | |
| 218 | V | A | 0.0000 | |
| 219 | P | A | -1.1142 | |
| 220 | Y | A | 0.0000 | |
| 221 | E | A | -1.0364 | |
| 222 | P | A | -0.8800 | |
| 223 | P | A | -1.2351 | |
| 224 | E | A | -1.6063 | |
| 225 | V | A | 0.2933 | |
| 226 | G | A | -0.5142 | |
| 227 | S | A | -1.2716 | |
| 228 | D | A | -1.9300 | |
| 229 | C | A | 0.0000 | |
| 230 | T | A | 0.0000 | |
| 231 | T | A | -0.6571 | |
| 232 | I | A | 0.0000 | |
| 233 | H | A | -1.0156 | |
| 234 | Y | A | 0.0000 | |
| 235 | N | A | 0.0000 | |
| 236 | Y | A | 0.0000 | |
| 237 | M | A | 0.0000 | |
| 238 | C | A | 0.0000 | |
| 239 | N | A | -0.4764 | |
| 240 | S | A | 0.0000 | |
| 241 | S | A | -0.9701 | |
| 242 | C | A | -0.4253 | |
| 243 | M | A | 0.1269 | |
| 244 | G | A | -0.5751 | |
| 245 | G | A | 0.0000 | |
| 246 | M | A | 0.0000 | |
| 247 | N | A | -1.2018 | |
| 248 | R | A | -2.2138 | |
| 249 | R | A | -1.5956 | |
| 250 | P | A | -1.2424 | |
| 251 | I | A | 0.0000 | |
| 252 | L | A | -0.5461 | |
| 253 | T | A | 0.0000 | |
| 254 | I | A | 0.0000 | |
| 255 | I | A | 0.0000 | |
| 256 | T | A | 0.0000 | |
| 257 | L | A | 0.0000 | |
| 258 | E | A | 0.0000 | |
| 259 | D | A | -1.0841 | |
| 260 | S | A | -1.0474 | |
| 261 | S | A | -1.0066 | |
| 262 | G | A | -1.2184 | |
| 263 | N | A | -1.2811 | |
| 264 | L | A | 0.0808 | |
| 265 | L | A | 0.0279 | |
| 266 | G | A | 0.0000 | |
| 267 | R | A | -0.8073 | |
| 268 | N | A | -1.0502 | |
| 269 | S | A | -0.7735 | |
| 270 | F | A | 0.0000 | |
| 271 | E | A | -0.5496 | |
| 272 | V | A | 0.0000 | |
| 273 | R | A | -0.8802 | |
| 274 | V | A | 0.0000 | |
| 275 | C | A | 0.0000 | |
| 276 | A | A | -0.0830 | |
| 277 | C | A | -0.6005 | |
| 278 | P | A | 0.0000 | |
| 279 | G | A | 0.0000 | |
| 280 | R | A | -2.8982 | |
| 281 | D | A | -2.1224 | |
| 282 | R | A | -2.2991 | |
| 283 | R | A | -3.4538 | |
| 284 | T | A | -2.7243 | |
| 285 | E | A | -2.2013 | |
| 286 | E | A | -2.0371 | |
| 287 | E | A | -2.8761 | |
| 288 | N | A | -1.9749 | |
| 289 | L | A | -0.1310 | |
| 96 | S | B | 0.1544 | |
| 97 | V | B | 0.5443 | |
| 98 | P | B | -0.0782 | |
| 99 | S | B | -0.5854 | |
| 100 | Q | B | -1.2557 | |
| 101 | K | B | -1.4942 | |
| 102 | T | B | -0.9131 | |
| 103 | Y | B | -0.1344 | |
| 104 | Q | B | -1.2584 | |
| 105 | G | B | -0.4941 | |
| 106 | S | B | -0.4732 | |
| 107 | Y | B | -0.6655 | |
| 108 | G | B | -1.0864 | |
| 109 | F | B | 0.0000 | |
| 110 | R | B | -0.9907 | |
| 111 | L | B | -0.2194 | |
| 112 | G | B | -0.0036 | |
| 113 | F | B | 0.1454 | |
| 114 | L | B | 0.1213 | |
| 115 | H | B | -0.7456 | |
| 116 | S | B | -0.3816 | |
| 117 | G | B | -0.5932 | |
| 118 | T | B | -1.3344 | |
| 119 | A | B | -1.3707 | |
| 120 | K | B | -2.4576 | |
| 121 | S | B | -1.1361 | |
| 122 | V | B | -0.6599 | |
| 123 | T | B | -0.3834 | |
| 124 | C | B | 0.0000 | |
| 125 | T | B | 0.0000 | |
| 126 | Y | B | -0.3123 | |
| 127 | S | B | 0.0000 | |
| 128 | P | B | -0.6188 | |
| 129 | A | B | -0.1922 | |
| 130 | L | B | -0.3752 | |
| 131 | N | B | -1.1228 | |
| 132 | K | B | 0.0000 | |
| 133 | M | B | 0.0000 | |
| 134 | F | B | 0.0000 | |
| 135 | C | B | 0.0000 | |
| 136 | Q | B | -0.6979 | |
| 137 | L | B | 0.0000 | |
| 138 | A | B | -0.6052 | |
| 139 | K | B | -0.8876 | |
| 140 | T | B | -0.5203 | |
| 141 | C | B | 0.0000 | |
| 142 | P | B | -0.1754 | |
| 143 | V | B | 0.0000 | |
| 144 | Q | B | -0.3069 | |
| 145 | L | B | 0.0000 | |
| 146 | W | B | -0.7227 | |
| 147 | V | B | -1.1369 | |
| 148 | D | B | -2.1175 | |
| 149 | S | B | -0.9779 | |
| 150 | T | B | -0.7637 | |
| 151 | P | B | 0.0000 | |
| 152 | P | B | -0.4640 | |
| 153 | P | B | -0.8384 | |
| 154 | G | B | -0.9179 | |
| 155 | T | B | 0.0000 | |
| 156 | R | B | -1.0565 | |
| 157 | V | B | 0.0000 | |
| 158 | R | B | -0.4998 | |
| 159 | A | B | 0.0000 | |
| 160 | M | B | 0.0000 | |
| 161 | A | B | -0.2885 | |
| 162 | I | B | 0.0000 | |
| 163 | Y | B | 0.0000 | |
| 164 | K | B | -1.6892 | |
| 165 | Q | B | -1.3641 | |
| 166 | S | B | -0.9647 | |
| 167 | Q | B | -0.8984 | |
| 168 | H | B | -1.0376 | |
| 169 | M | B | -0.4867 | |
| 170 | T | B | -0.3578 | |
| 171 | E | B | -0.6487 | |
| 172 | V | B | 0.1274 | |
| 173 | V | B | 0.0000 | |
| 174 | R | B | -1.2353 | |
| 175 | R | B | 0.0000 | |
| 176 | C | B | 0.0000 | |
| 177 | P | B | -1.4577 | |
| 178 | H | B | -1.8664 | |
| 179 | H | B | 0.0000 | |
| 180 | E | B | -2.1214 | |
| 181 | R | B | -2.5806 | |
| 182 | C | B | -1.2617 | |
| 183 | S | B | 0.0000 | |
| 184 | D | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | D | B | -0.9553 | |
| 187 | G | B | -1.0561 | |
| 188 | L | B | -0.1244 | |
| 189 | A | B | 0.0000 | |
| 190 | P | B | -0.0949 | |
| 191 | P | B | -0.6938 | |
| 192 | Q | B | -1.0883 | |
| 193 | H | B | 0.0000 | |
| 194 | L | B | 0.0000 | |
| 195 | I | B | 0.0000 | |
| 196 | R | B | 0.0000 | |
| 197 | V | B | 0.0000 | |
| 198 | E | B | -0.7525 | |
| 199 | G | B | -0.8592 | |
| 200 | N | B | -0.8212 | |
| 201 | L | B | 0.0729 | |
| 202 | R | B | -1.5480 | |
| 203 | V | B | 0.0000 | |
| 204 | E | B | -1.1907 | |
| 205 | Y | B | -0.0887 | |
| 206 | L | B | 0.2833 | |
| 207 | D | B | -0.6275 | |
| 208 | D | B | -1.7013 | |
| 209 | R | B | -2.3771 | |
| 210 | N | B | -1.8013 | |
| 211 | T | B | -0.5195 | |
| 212 | F | B | 0.2543 | |
| 213 | R | B | 0.0000 | |
| 214 | H | B | 0.0000 | |
| 215 | S | B | 0.0337 | |
| 216 | V | B | 0.0000 | |
| 217 | V | B | 0.0000 | |
| 218 | V | B | 0.0000 | |
| 219 | P | B | -1.5062 | |
| 220 | Y | B | 0.0000 | |
| 221 | E | B | -2.3222 | |
| 222 | P | B | -1.5809 | |
| 223 | P | B | -1.5968 | |
| 224 | E | B | -1.7514 | |
| 225 | V | B | 0.3050 | |
| 226 | G | B | -0.5593 | |
| 227 | S | B | -1.2890 | |
| 228 | D | B | -2.1080 | |
| 229 | C | B | -1.4024 | |
| 230 | T | B | 0.0000 | |
| 231 | T | B | -0.4199 | |
| 232 | I | B | 0.0000 | |
| 233 | H | B | -0.7808 | |
| 234 | Y | B | 0.0000 | |
| 235 | N | B | 0.0000 | |
| 236 | Y | B | 0.0000 | |
| 237 | M | B | 0.0000 | |
| 238 | C | B | 0.0000 | |
| 239 | N | B | -0.7437 | |
| 240 | S | B | 0.0000 | |
| 241 | S | B | -1.1923 | |
| 242 | C | B | -0.4929 | |
| 243 | M | B | 0.0616 | |
| 244 | G | B | -0.5685 | |
| 245 | G | B | 0.0000 | |
| 246 | M | B | 0.0000 | |
| 247 | N | B | -1.0976 | |
| 248 | R | B | -2.1927 | |
| 249 | R | B | -1.6338 | |
| 250 | P | B | -1.3754 | |
| 251 | I | B | 0.0000 | |
| 252 | L | B | -0.5256 | |
| 253 | T | B | 0.0000 | |
| 254 | I | B | 0.0000 | |
| 255 | I | B | 0.0000 | |
| 256 | T | B | 0.0000 | |
| 257 | L | B | 0.0000 | |
| 258 | E | B | 0.0000 | |
| 259 | D | B | -1.0001 | |
| 260 | S | B | -1.0105 | |
| 261 | S | B | -0.9464 | |
| 262 | G | B | -1.1223 | |
| 263 | N | B | -1.2357 | |
| 264 | L | B | 0.0816 | |
| 265 | L | B | 0.0024 | |
| 266 | G | B | 0.0000 | |
| 267 | R | B | -0.6012 | |
| 268 | N | B | 0.0000 | |
| 269 | S | B | -0.6008 | |
| 270 | F | B | 0.0000 | |
| 271 | E | B | -0.7383 | |
| 272 | V | B | 0.0000 | |
| 273 | R | B | -1.0699 | |
| 274 | V | B | 0.0000 | |
| 275 | C | B | 0.0000 | |
| 276 | A | B | -0.7214 | |
| 277 | C | B | -0.9561 | |
| 278 | P | B | 0.0000 | |
| 279 | G | B | 0.0000 | |
| 280 | R | B | -2.8355 | |
| 281 | D | B | 0.0000 | |
| 282 | R | B | -2.5781 | |
| 283 | R | B | -3.5930 | |
| 284 | T | B | -2.7393 | |
| 285 | E | B | -2.3413 | |
| 286 | E | B | -2.4500 | |
| 287 | E | B | -3.0041 | |
| 288 | N | B | -2.1902 | |
| 289 | L | B | -0.2671 | |
| 95 | S | C | -0.2760 | |
| 96 | S | C | -0.1758 | |
| 97 | V | C | 0.0605 | |
| 98 | P | C | -0.2857 | |
| 99 | S | C | -0.9519 | |
| 100 | Q | C | -1.5252 | |
| 101 | K | C | -2.0070 | |
| 102 | T | C | -1.0395 | |
| 103 | Y | C | -0.1959 | |
| 104 | Q | C | -1.0241 | |
| 105 | G | C | -0.2442 | |
| 106 | S | C | -0.4588 | |
| 107 | Y | C | -0.6687 | |
| 108 | G | C | -1.0700 | |
| 109 | F | C | 0.0000 | |
| 110 | R | C | -1.0996 | |
| 111 | L | C | -0.2792 | |
| 112 | G | C | -0.0968 | |
| 113 | F | C | 0.0753 | |
| 114 | L | C | -0.2498 | |
| 115 | H | C | -0.9854 | |
| 116 | S | C | -0.6416 | |
| 117 | G | C | -1.3614 | |
| 118 | T | C | -1.6971 | |
| 119 | A | C | -1.5337 | |
| 120 | K | C | -2.0502 | |
| 121 | S | C | -0.9215 | |
| 122 | V | C | -0.7538 | |
| 123 | T | C | -0.5170 | |
| 124 | C | C | 0.0000 | |
| 125 | T | C | 0.0000 | |
| 126 | Y | C | -0.2996 | |
| 127 | S | C | 0.0000 | |
| 128 | P | C | -0.5192 | |
| 129 | A | C | -0.1722 | |
| 130 | L | C | -0.2106 | |
| 131 | N | C | -0.7167 | |
| 132 | K | C | 0.0000 | |
| 133 | M | C | 0.0000 | |
| 134 | F | C | 0.0000 | |
| 135 | C | C | 0.0000 | |
| 136 | Q | C | -0.3751 | |
| 137 | L | C | -0.1766 | |
| 138 | A | C | -0.4718 | |
| 139 | K | C | -1.1606 | |
| 140 | T | C | -0.8148 | |
| 141 | C | C | 0.0000 | |
| 142 | P | C | 0.0000 | |
| 143 | V | C | 0.0000 | |
| 144 | Q | C | -0.3226 | |
| 145 | L | C | 0.0000 | |
| 146 | W | C | -0.7759 | |
| 147 | V | C | -1.1669 | |
| 148 | D | C | -2.0733 | |
| 149 | S | C | -0.9070 | |
| 150 | T | C | -0.7852 | |
| 151 | P | C | 0.0000 | |
| 152 | P | C | -0.8081 | |
| 153 | P | C | -1.0472 | |
| 154 | G | C | -1.1472 | |
| 155 | T | C | 0.0000 | |
| 156 | R | C | -0.9606 | |
| 157 | V | C | 0.0000 | |
| 158 | R | C | -0.5340 | |
| 159 | A | C | 0.0000 | |
| 160 | M | C | 0.0976 | |
| 161 | A | C | 0.0000 | |
| 162 | I | C | 0.0000 | |
| 163 | Y | C | 0.0000 | |
| 164 | K | C | -1.7590 | |
| 165 | Q | C | -1.9169 | |
| 166 | S | C | -1.6083 | |
| 167 | Q | C | -2.0228 | |
| 168 | H | C | -1.7556 | |
| 169 | M | C | -1.2873 | |
| 170 | T | C | -1.0654 | |
| 171 | E | C | -1.6118 | |
| 172 | V | C | -0.4277 | |
| 173 | V | C | 0.0000 | |
| 174 | R | C | -1.0977 | |
| 175 | R | C | 0.0000 | |
| 176 | C | C | 0.0000 | |
| 177 | P | C | -1.4404 | |
| 178 | H | C | -1.7070 | |
| 179 | H | C | -1.7633 | |
| 180 | E | C | -2.0361 | |
| 181 | R | C | -2.3851 | |
| 182 | C | C | -1.0487 | |
| 183 | S | C | -1.5241 | |
| 184 | D | C | -2.2732 | |
| 185 | S | C | -1.6923 | |
| 186 | D | C | -2.2778 | |
| 187 | G | C | -1.2937 | |
| 188 | L | C | -0.6011 | |
| 189 | A | C | 0.0000 | |
| 190 | P | C | -0.7598 | |
| 191 | P | C | -1.5262 | |
| 192 | Q | C | -1.2448 | |
| 193 | H | C | 0.0000 | |
| 194 | L | C | 0.0000 | |
| 195 | I | C | 0.0000 | |
| 196 | R | C | -0.5859 | |
| 197 | V | C | 0.0000 | |
| 198 | E | C | -1.0479 | |
| 199 | G | C | -0.8280 | |
| 200 | N | C | -0.8567 | |
| 201 | L | C | -0.1020 | |
| 202 | R | C | -1.6607 | |
| 203 | V | C | 0.0000 | |
| 204 | E | C | -1.8113 | |
| 205 | Y | C | -0.7265 | |
| 206 | L | C | -0.3296 | |
| 207 | D | C | -0.7656 | |
| 208 | D | C | -1.6691 | |
| 209 | R | C | -2.4172 | |
| 210 | N | C | -2.0913 | |
| 211 | T | C | -0.8795 | |
| 212 | F | C | 0.0540 | |
| 213 | R | C | 0.0000 | |
| 214 | H | C | -0.1737 | |
| 215 | S | C | 0.0000 | |
| 216 | V | C | 0.0000 | |
| 217 | V | C | 0.0000 | |
| 218 | V | C | 0.0000 | |
| 219 | P | C | -1.5802 | |
| 220 | Y | C | -1.2817 | |
| 221 | E | C | -2.2489 | |
| 222 | P | C | -1.4270 | |
| 223 | P | C | -1.3396 | |
| 224 | E | C | -1.2046 | |
| 225 | V | C | 0.4873 | |
| 226 | G | C | -0.6214 | |
| 227 | S | C | -1.1633 | |
| 228 | D | C | -2.0522 | |
| 229 | C | C | -1.3800 | |
| 230 | T | C | -1.0775 | |
| 231 | T | C | -0.6544 | |
| 232 | I | C | 0.0000 | |
| 233 | H | C | -0.6163 | |
| 234 | Y | C | 0.0000 | |
| 235 | N | C | 0.0000 | |
| 236 | Y | C | 0.0000 | |
| 237 | M | C | 0.0000 | |
| 238 | C | C | 0.0000 | |
| 239 | N | C | -0.5880 | |
| 240 | S | C | -1.0746 | |
| 241 | S | C | -1.1440 | |
| 242 | C | C | -0.6382 | |
| 243 | M | C | -0.1170 | |
| 244 | G | C | -0.7535 | |
| 245 | G | C | -1.0224 | |
| 246 | M | C | 0.0000 | |
| 247 | N | C | -1.6941 | |
| 248 | R | C | -2.4201 | |
| 249 | R | C | -1.7888 | |
| 250 | P | C | -1.3877 | |
| 251 | I | C | 0.0000 | |
| 252 | L | C | -0.4703 | |
| 253 | T | C | 0.0000 | |
| 254 | I | C | 0.0000 | |
| 255 | I | C | 0.0000 | |
| 256 | T | C | 0.0000 | |
| 257 | L | C | 0.0000 | |
| 258 | E | C | 0.0000 | |
| 259 | D | C | -1.2000 | |
| 260 | S | C | -1.0845 | |
| 261 | S | C | -0.9939 | |
| 262 | G | C | -1.1062 | |
| 263 | N | C | -1.2505 | |
| 264 | L | C | -0.0415 | |
| 265 | L | C | -0.0266 | |
| 266 | G | C | 0.0000 | |
| 267 | R | C | -0.6696 | |
| 268 | N | C | 0.0000 | |
| 269 | S | C | -0.6271 | |
| 270 | F | C | 0.0000 | |
| 271 | E | C | -0.5487 | |
| 272 | V | C | 0.0000 | |
| 273 | R | C | -0.9037 | |
| 274 | V | C | 0.0000 | |
| 275 | C | C | -0.2830 | |
| 276 | A | C | -0.3442 | |
| 277 | C | C | -0.6987 | |
| 278 | P | C | 0.0000 | |
| 279 | G | C | 0.0000 | |
| 280 | R | C | -2.9574 | |
| 281 | D | C | -2.3261 | |
| 282 | R | C | -2.4258 | |
| 283 | R | C | -3.5873 | |
| 284 | T | C | -2.7779 | |
| 285 | E | C | -2.3965 | |
| 286 | E | C | -2.4780 | |
| 287 | E | C | -2.8550 | |
| 288 | N | C | -1.9271 | |
| 289 | L | C | -0.0563 |
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 | -0.6783 | 2.3497 | View | CSV | PDB |
| 4.5 | -0.7288 | 2.2843 | View | CSV | PDB |
| 5.0 | -0.7885 | 2.1996 | View | CSV | PDB |
| 5.5 | -0.8471 | 2.1071 | View | CSV | PDB |
| 6.0 | -0.8959 | 2.0188 | View | CSV | PDB |
| 6.5 | -0.9302 | 1.9466 | View | CSV | PDB |
| 7.0 | -0.9512 | 1.8983 | View | CSV | PDB |
| 7.5 | -0.9626 | 1.8702 | View | CSV | PDB |
| 8.0 | -0.9671 | 1.8547 | View | CSV | PDB |
| 8.5 | -0.9649 | 1.8472 | View | CSV | PDB |
| 9.0 | -0.9551 | 1.8442 | 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