| Chain sequence(s) |
A: MVQDTGKDTNLKGTAEANESVVYCDVFMQAALKEATCALEEGEVPVGCVLVKADSSTAAQAQAGDDLALQKLIVARGRNATNRKGHGLAHAEFVAVEELLRQATAGTSENIGGGGNSGAVSQDLADYVLYVVVEPCIMCAAMLLYNRVRKVYFGCTNPRFGGNGTVLSVHNSYKGCSGEDAALIGYESCGGYRAEEAVVLLQQFYRRENTNAPLGKRKRKD
B: GPDSMEEVVVPEEPPKLVSALATYVQQERLCTMFLSIANKLLPLKPHACHLKRIRRSSATRVATAPMDGFAGGVICDKRDSSVATSTISDGCERNSAALGTPAAEKSHVLELLLSVGGPVDSSALKELESAADTTVAVHRVWVPDRAPRSSAEEWTKWCQIWPFATPKPRVPTQLSECEVGSIQRIFRTVVMPLAKRLRTDETLGIAAVLVDPSDGYRVLVSSGEEHALKRGNSAACLGYVSNSGCRKSNRVVLDHPVTFVLKEVTRKQCKDREVEGDASYLANGMDMFVSHEPCVMCSMALVHSRVRRVFYCFPNPVHGGLGSTVSIHAIQELNHHFRVFRCDSRWLSDPEGVSSDHDNPYWEDLTVP 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. (00:00:03)
[INFO] FoldX: Starting FoldX energy minimization (00:00:03)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:11:18)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/5cfe19ad49468fd/tmp/folded.pdb (00:11:18)
[INFO] Main: Simulation completed successfully. (00:19:19)
|
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 |
|---|---|---|---|---|
| 1 | M | A | 1.3294 | |
| 2 | V | A | 1.1870 | |
| 3 | Q | A | -1.0061 | |
| 4 | D | A | -2.1366 | |
| 5 | T | A | -2.0489 | |
| 6 | G | A | -2.6027 | |
| 7 | K | A | -3.2766 | |
| 8 | D | A | -3.0061 | |
| 9 | T | A | -1.9154 | |
| 10 | N | A | -2.0702 | |
| 11 | L | A | -0.3977 | |
| 12 | K | A | -1.6868 | |
| 13 | G | A | -1.2439 | |
| 14 | T | A | -1.0414 | |
| 15 | A | A | -1.5469 | |
| 16 | E | A | -2.6495 | |
| 17 | A | A | -1.8177 | |
| 18 | N | A | -2.6976 | |
| 19 | E | A | -2.6339 | |
| 20 | S | A | -1.4068 | |
| 21 | V | A | 0.0000 | |
| 22 | V | A | 0.8439 | |
| 23 | Y | A | 0.8811 | |
| 24 | C | A | 0.1619 | |
| 25 | D | A | -0.3662 | |
| 26 | V | A | -0.5621 | |
| 27 | F | A | 0.0000 | |
| 28 | M | A | 0.0000 | |
| 29 | Q | A | -1.2793 | |
| 30 | A | A | 0.0000 | |
| 31 | A | A | 0.0000 | |
| 32 | L | A | -1.1215 | |
| 33 | K | A | -1.8056 | |
| 34 | E | A | 0.0000 | |
| 35 | A | A | 0.0000 | |
| 36 | T | A | -0.9881 | |
| 37 | C | A | -1.2150 | |
| 38 | A | A | 0.0000 | |
| 39 | L | A | -1.2041 | |
| 40 | E | A | -2.2208 | |
| 41 | E | A | -2.1646 | |
| 42 | G | A | -1.8574 | |
| 43 | E | A | 0.0000 | |
| 44 | V | A | 0.1614 | |
| 45 | P | A | 0.0000 | |
| 46 | V | A | 0.0462 | |
| 47 | G | A | 0.0000 | |
| 48 | C | A | 0.0000 | |
| 49 | V | A | 0.0000 | |
| 50 | L | A | 0.0000 | |
| 51 | V | A | 0.0000 | |
| 52 | K | A | -1.7292 | |
| 53 | A | A | -1.8795 | |
| 54 | D | A | -2.1049 | |
| 55 | S | A | 0.0000 | |
| 56 | S | A | 0.0000 | |
| 57 | T | A | -0.7483 | |
| 58 | A | A | -0.8606 | |
| 59 | A | A | 0.0000 | |
| 60 | Q | A | -1.1388 | |
| 61 | A | A | -0.9749 | |
| 62 | Q | A | -1.4863 | |
| 63 | A | A | -1.4705 | |
| 64 | G | A | -1.6537 | |
| 65 | D | A | -2.2024 | |
| 66 | D | A | -2.2200 | |
| 67 | L | A | -0.4247 | |
| 68 | A | A | -1.0564 | |
| 69 | L | A | 0.0000 | |
| 70 | Q | A | -1.2761 | |
| 71 | K | A | -1.5951 | |
| 72 | L | A | -0.6593 | |
| 73 | I | A | -0.4430 | |
| 74 | V | A | -0.2795 | |
| 75 | A | A | 0.0000 | |
| 76 | R | A | -0.7663 | |
| 77 | G | A | 0.0000 | |
| 78 | R | A | -0.5643 | |
| 79 | N | A | -0.5834 | |
| 80 | A | A | 0.0000 | |
| 81 | T | A | -0.9778 | |
| 82 | N | A | -1.7177 | |
| 83 | R | A | -2.0529 | |
| 84 | K | A | -1.7692 | |
| 85 | G | A | -1.2379 | |
| 86 | H | A | -0.9494 | |
| 87 | G | A | -0.4249 | |
| 88 | L | A | 0.0000 | |
| 89 | A | A | 0.0000 | |
| 90 | H | A | -0.0629 | |
| 91 | A | A | 0.0000 | |
| 92 | E | A | 0.0000 | |
| 93 | F | A | -0.2908 | |
| 94 | V | A | -0.5879 | |
| 95 | A | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | E | A | -2.3622 | |
| 98 | E | A | -2.0041 | |
| 99 | L | A | 0.0000 | |
| 100 | L | A | -1.8458 | |
| 101 | R | A | -2.7288 | |
| 102 | Q | A | -1.8336 | |
| 103 | A | A | -1.2223 | |
| 104 | T | A | -1.1503 | |
| 105 | A | A | -1.4543 | |
| 106 | G | A | -1.3801 | |
| 107 | T | A | -0.9040 | |
| 108 | S | A | -1.0761 | |
| 109 | E | A | -2.1819 | |
| 110 | N | A | -1.9533 | |
| 111 | I | A | 0.2703 | |
| 112 | G | A | -0.6678 | |
| 113 | G | A | -1.3438 | |
| 114 | G | A | -1.2378 | |
| 115 | G | A | -1.6504 | |
| 116 | N | A | -2.0585 | |
| 117 | S | A | -1.4856 | |
| 118 | G | A | -0.8847 | |
| 119 | A | A | -0.4284 | |
| 120 | V | A | -0.2137 | |
| 121 | S | A | -1.0926 | |
| 122 | Q | A | -1.9220 | |
| 123 | D | A | 0.0000 | |
| 124 | L | A | 0.0000 | |
| 125 | A | A | -1.8304 | |
| 126 | D | A | -2.7133 | |
| 127 | Y | A | 0.0000 | |
| 128 | V | A | 0.0000 | |
| 129 | L | A | 0.0000 | |
| 130 | Y | A | 0.0000 | |
| 131 | V | A | 0.0000 | |
| 132 | V | A | 0.0000 | |
| 133 | V | A | 0.0000 | |
| 134 | E | A | 0.0000 | |
| 135 | P | A | 0.0000 | |
| 136 | C | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | M | A | 0.0000 | |
| 139 | C | A | 0.0000 | |
| 140 | A | A | 0.0000 | |
| 141 | A | A | 0.0000 | |
| 142 | M | A | 0.0000 | |
| 143 | L | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | Y | A | 0.0000 | |
| 146 | N | A | 0.0000 | |
| 147 | R | A | -0.9905 | |
| 148 | V | A | 0.0000 | |
| 149 | R | A | -2.7246 | |
| 150 | K | A | -1.6766 | |
| 151 | V | A | 0.0000 | |
| 152 | Y | A | 0.0000 | |
| 153 | F | A | 0.0253 | |
| 154 | G | A | 0.0000 | |
| 155 | C | A | 0.0000 | |
| 156 | T | A | -0.3287 | |
| 157 | N | A | -0.7983 | |
| 158 | P | A | -1.2978 | |
| 159 | R | A | -2.3669 | |
| 160 | F | A | -0.8552 | |
| 161 | G | A | 0.0000 | |
| 162 | G | A | 0.0000 | |
| 163 | N | A | 0.0000 | |
| 164 | G | A | -0.5779 | |
| 165 | T | A | -0.4087 | |
| 166 | V | A | -0.4577 | |
| 167 | L | A | 0.1589 | |
| 168 | S | A | -0.5777 | |
| 169 | V | A | 0.0000 | |
| 170 | H | A | -1.3631 | |
| 171 | N | A | -1.9124 | |
| 172 | S | A | -1.2119 | |
| 173 | Y | A | 0.0000 | |
| 174 | K | A | -1.7492 | |
| 175 | G | A | -0.7103 | |
| 176 | C | A | -0.7464 | |
| 177 | S | A | -1.1239 | |
| 178 | G | A | -1.9517 | |
| 179 | E | A | -2.7340 | |
| 180 | D | A | -2.6272 | |
| 181 | A | A | -1.2510 | |
| 182 | A | A | -0.1135 | |
| 183 | L | A | 0.5757 | |
| 184 | I | A | 0.0000 | |
| 185 | G | A | -1.2436 | |
| 186 | Y | A | 0.0000 | |
| 187 | E | A | -2.4480 | |
| 188 | S | A | -1.3496 | |
| 189 | C | A | -0.4321 | |
| 190 | G | A | -0.3054 | |
| 191 | G | A | -0.7896 | |
| 192 | Y | A | -0.7337 | |
| 193 | R | A | -1.4105 | |
| 194 | A | A | -0.9074 | |
| 195 | E | A | -1.4880 | |
| 196 | E | A | -1.0863 | |
| 197 | A | A | 0.0000 | |
| 198 | V | A | 1.1166 | |
| 199 | V | A | 1.3995 | |
| 200 | L | A | 0.8649 | |
| 201 | L | A | 0.5790 | |
| 202 | Q | A | -0.5436 | |
| 203 | Q | A | -0.8780 | |
| 204 | F | A | -0.9799 | |
| 205 | Y | A | -1.0825 | |
| 206 | R | A | -3.3271 | |
| 207 | R | A | -3.9615 | |
| 208 | E | A | -4.7640 | |
| 209 | N | A | -3.8081 | |
| 210 | T | A | -2.0692 | |
| 211 | N | A | -2.0601 | |
| 212 | A | A | -2.0162 | |
| 213 | P | A | -1.1617 | |
| 214 | L | A | -0.2443 | |
| 215 | G | A | -1.2008 | |
| 216 | K | A | -2.9202 | |
| 217 | R | A | -4.1123 | |
| 218 | K | A | -4.7073 | |
| 219 | R | A | -5.3000 | |
| 220 | K | A | -4.8836 | |
| 221 | D | A | -3.4000 | |
| 1 | G | B | -1.3841 | |
| 2 | P | B | -2.0104 | |
| 3 | D | B | -2.4899 | |
| 4 | S | B | 0.0000 | |
| 5 | M | B | -1.8737 | |
| 6 | E | B | -2.4452 | |
| 7 | E | B | -0.9625 | |
| 8 | V | B | 0.4128 | |
| 9 | V | B | 1.8647 | |
| 10 | V | B | 1.6988 | |
| 11 | P | B | -0.0262 | |
| 12 | E | B | -1.6870 | |
| 13 | E | B | -2.4795 | |
| 14 | P | B | -1.9846 | |
| 15 | P | B | 0.0000 | |
| 16 | K | B | -1.9348 | |
| 17 | L | B | -0.3266 | |
| 18 | V | B | -0.0757 | |
| 19 | S | B | -0.1693 | |
| 20 | A | B | 0.0000 | |
| 21 | L | B | -0.3084 | |
| 22 | A | B | 0.0000 | |
| 23 | T | B | 0.0000 | |
| 24 | Y | B | 0.6334 | |
| 25 | V | B | 0.0000 | |
| 26 | Q | B | -1.6547 | |
| 27 | Q | B | -2.2214 | |
| 28 | E | B | -3.0303 | |
| 29 | R | B | -2.8489 | |
| 30 | L | B | -1.4348 | |
| 31 | C | B | -0.8882 | |
| 32 | T | B | -0.2964 | |
| 33 | M | B | 0.0289 | |
| 34 | F | B | 0.0000 | |
| 35 | L | B | 0.0637 | |
| 36 | S | B | -0.5025 | |
| 37 | I | B | -0.6675 | |
| 38 | A | B | 0.0000 | |
| 39 | N | B | -1.8224 | |
| 40 | K | B | -2.0233 | |
| 41 | L | B | -1.1140 | |
| 42 | L | B | 0.0000 | |
| 43 | P | B | -1.2815 | |
| 44 | L | B | -1.2784 | |
| 45 | K | B | -1.9992 | |
| 46 | P | B | -1.3011 | |
| 47 | H | B | -1.6878 | |
| 48 | A | B | 0.0000 | |
| 49 | C | B | -0.4165 | |
| 50 | H | B | -0.4920 | |
| 51 | L | B | 0.0000 | |
| 52 | K | B | -1.0608 | |
| 53 | R | B | 0.0000 | |
| 54 | I | B | -0.4013 | |
| 55 | R | B | -1.2218 | |
| 56 | R | B | -2.0483 | |
| 57 | S | B | -1.3452 | |
| 58 | S | B | -1.7057 | |
| 59 | A | B | -1.0653 | |
| 60 | T | B | -0.7567 | |
| 61 | R | B | -0.9139 | |
| 62 | V | B | 0.8514 | |
| 63 | A | B | 0.3742 | |
| 64 | T | B | 0.3901 | |
| 65 | A | B | 0.2964 | |
| 66 | P | B | -0.3754 | |
| 67 | M | B | 0.1950 | |
| 68 | D | B | -1.0492 | |
| 69 | G | B | -0.1615 | |
| 70 | F | B | 1.2071 | |
| 71 | A | B | 0.5057 | |
| 72 | G | B | 0.6650 | |
| 73 | G | B | 1.1820 | |
| 74 | V | B | 2.3703 | |
| 75 | I | B | 2.2475 | |
| 76 | C | B | 0.5786 | |
| 77 | D | B | -2.1456 | |
| 78 | K | B | -3.4851 | |
| 79 | R | B | -4.0557 | |
| 80 | D | B | -3.3193 | |
| 81 | S | B | -1.4330 | |
| 82 | S | B | -0.1903 | |
| 83 | V | B | 1.3623 | |
| 84 | A | B | 0.7363 | |
| 85 | T | B | 0.5835 | |
| 86 | S | B | 0.4757 | |
| 87 | T | B | 0.4900 | |
| 88 | I | B | 1.1899 | |
| 89 | S | B | -0.1849 | |
| 90 | D | B | -1.5265 | |
| 91 | G | B | -1.5832 | |
| 92 | C | B | -1.7373 | |
| 93 | E | B | -3.1732 | |
| 94 | R | B | -3.2713 | |
| 95 | N | B | -2.7198 | |
| 96 | S | B | -1.4467 | |
| 97 | A | B | -0.3142 | |
| 98 | A | B | 0.4131 | |
| 99 | L | B | 1.2598 | |
| 100 | G | B | 0.2222 | |
| 101 | T | B | 0.0983 | |
| 102 | P | B | -0.4241 | |
| 103 | A | B | -0.8869 | |
| 104 | A | B | -1.3380 | |
| 105 | E | B | -2.6577 | |
| 106 | K | B | -2.4981 | |
| 107 | S | B | -2.0273 | |
| 108 | H | B | -2.1673 | |
| 109 | V | B | -1.2892 | |
| 110 | L | B | 0.0000 | |
| 111 | E | B | 0.0000 | |
| 112 | L | B | 0.0000 | |
| 113 | L | B | 0.0000 | |
| 114 | L | B | 0.0000 | |
| 115 | S | B | -0.7519 | |
| 116 | V | B | 0.0000 | |
| 117 | G | B | -0.8324 | |
| 118 | G | B | -0.8400 | |
| 119 | P | B | -0.7487 | |
| 120 | V | B | -0.7214 | |
| 121 | D | B | -2.0342 | |
| 122 | S | B | -1.6973 | |
| 123 | S | B | -1.6453 | |
| 124 | A | B | 0.0000 | |
| 125 | L | B | -1.4474 | |
| 126 | K | B | -2.7402 | |
| 127 | E | B | -2.3763 | |
| 128 | L | B | 0.0000 | |
| 129 | E | B | -1.9261 | |
| 130 | S | B | -1.8885 | |
| 131 | A | B | -1.1853 | |
| 132 | A | B | 0.0000 | |
| 133 | D | B | -2.1032 | |
| 134 | T | B | -1.3236 | |
| 135 | T | B | -0.6119 | |
| 136 | V | B | -0.3398 | |
| 137 | A | B | 0.5730 | |
| 138 | V | B | 0.5280 | |
| 139 | H | B | -0.5349 | |
| 140 | R | B | -1.5887 | |
| 141 | V | B | 0.0000 | |
| 142 | W | B | 0.2512 | |
| 143 | V | B | 0.0000 | |
| 144 | P | B | 0.0000 | |
| 145 | D | B | -1.2544 | |
| 146 | R | B | -1.4842 | |
| 147 | A | B | 0.0000 | |
| 148 | P | B | 0.0000 | |
| 149 | R | B | -2.3401 | |
| 150 | S | B | -1.2752 | |
| 151 | S | B | -1.8050 | |
| 152 | A | B | 0.0000 | |
| 153 | E | B | -2.4602 | |
| 154 | E | B | -2.4300 | |
| 155 | W | B | -2.1307 | |
| 156 | T | B | -1.9307 | |
| 157 | K | B | -2.3342 | |
| 158 | W | B | -1.3888 | |
| 159 | C | B | -1.2349 | |
| 160 | Q | B | -1.2601 | |
| 161 | I | B | -0.2717 | |
| 162 | W | B | 0.0000 | |
| 163 | P | B | -0.7408 | |
| 164 | F | B | 0.0000 | |
| 165 | A | B | -0.5511 | |
| 166 | T | B | -0.8182 | |
| 167 | P | B | -1.4030 | |
| 168 | K | B | -2.3916 | |
| 169 | P | B | -2.1051 | |
| 170 | R | B | -1.7753 | |
| 171 | V | B | -0.1013 | |
| 172 | P | B | -0.3422 | |
| 173 | T | B | -0.5862 | |
| 174 | Q | B | -1.4607 | |
| 175 | L | B | -0.9295 | |
| 176 | S | B | -1.0850 | |
| 177 | E | B | -1.7910 | |
| 178 | C | B | -0.3141 | |
| 179 | E | B | -0.8870 | |
| 180 | V | B | -0.9492 | |
| 181 | G | B | -0.9055 | |
| 182 | S | B | -1.1379 | |
| 183 | I | B | 0.0000 | |
| 184 | Q | B | -1.0661 | |
| 185 | R | B | -2.0309 | |
| 186 | I | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | R | B | -1.2161 | |
| 189 | T | B | -0.6130 | |
| 190 | V | B | 0.0940 | |
| 191 | V | B | 0.0000 | |
| 192 | M | B | 0.0000 | |
| 193 | P | B | -0.6831 | |
| 194 | L | B | -1.0062 | |
| 195 | A | B | 0.0000 | |
| 196 | K | B | -1.7814 | |
| 197 | R | B | -2.6131 | |
| 198 | L | B | 0.0000 | |
| 199 | R | B | -2.0105 | |
| 200 | T | B | -2.4797 | |
| 201 | D | B | -3.0621 | |
| 202 | E | B | -3.3296 | |
| 203 | T | B | -2.7188 | |
| 204 | L | B | 0.0000 | |
| 205 | G | B | 0.0000 | |
| 206 | I | B | 0.0000 | |
| 207 | A | B | 0.0000 | |
| 208 | A | B | 0.0000 | |
| 209 | V | B | 0.0000 | |
| 210 | L | B | 0.0000 | |
| 211 | V | B | 0.0000 | |
| 212 | D | B | -1.4162 | |
| 213 | P | B | -1.3319 | |
| 214 | S | B | -1.4641 | |
| 215 | D | B | -2.3089 | |
| 216 | G | B | -1.7686 | |
| 217 | Y | B | -1.5720 | |
| 218 | R | B | -2.0380 | |
| 219 | V | B | -0.2048 | |
| 220 | L | B | -0.1966 | |
| 221 | V | B | 0.0000 | |
| 222 | S | B | 0.1411 | |
| 223 | S | B | 0.0000 | |
| 224 | G | B | -1.6301 | |
| 225 | E | B | -3.0868 | |
| 226 | E | B | -2.8628 | |
| 227 | H | B | -1.9701 | |
| 228 | A | B | -2.0127 | |
| 229 | L | B | 0.0000 | |
| 230 | K | B | -2.4785 | |
| 231 | R | B | -2.2396 | |
| 232 | G | B | -2.4376 | |
| 233 | N | B | 0.0000 | |
| 234 | S | B | 0.0000 | |
| 235 | A | B | 0.0000 | |
| 236 | A | B | 0.0000 | |
| 237 | C | B | 0.0000 | |
| 238 | L | B | 0.0000 | |
| 239 | G | B | 0.0000 | |
| 240 | Y | B | 0.0000 | |
| 241 | V | B | 0.4313 | |
| 242 | S | B | -0.3513 | |
| 243 | N | B | -0.6380 | |
| 244 | S | B | -1.0036 | |
| 245 | G | B | -1.4920 | |
| 246 | C | B | -1.7071 | |
| 247 | R | B | -2.8801 | |
| 248 | K | B | -2.9932 | |
| 249 | S | B | -2.4837 | |
| 250 | N | B | -2.3455 | |
| 251 | R | B | -2.4135 | |
| 252 | V | B | 0.0000 | |
| 253 | V | B | -0.7000 | |
| 254 | L | B | -0.3215 | |
| 255 | D | B | -0.3155 | |
| 256 | H | B | 0.0000 | |
| 257 | P | B | 0.0000 | |
| 258 | V | B | 0.0000 | |
| 259 | T | B | 0.0000 | |
| 260 | F | B | -0.2785 | |
| 261 | V | B | 0.0000 | |
| 262 | L | B | 0.0000 | |
| 263 | K | B | -1.2734 | |
| 264 | E | B | -1.5330 | |
| 265 | V | B | 0.0000 | |
| 266 | T | B | 0.0000 | |
| 267 | R | B | -2.8943 | |
| 268 | K | B | -2.9009 | |
| 269 | Q | B | -3.0373 | |
| 270 | C | B | -3.3095 | |
| 271 | K | B | -4.0263 | |
| 272 | D | B | -4.2774 | |
| 273 | R | B | -4.3165 | |
| 274 | E | B | -3.4303 | |
| 275 | V | B | -1.5714 | |
| 276 | E | B | -3.0047 | |
| 277 | G | B | -3.0228 | |
| 278 | D | B | -2.9046 | |
| 279 | A | B | -2.1584 | |
| 280 | S | B | -0.7095 | |
| 281 | Y | B | -0.6752 | |
| 282 | L | B | -0.1165 | |
| 283 | A | B | 0.0000 | |
| 284 | N | B | -1.3313 | |
| 285 | G | B | -1.2482 | |
| 286 | M | B | -0.7010 | |
| 287 | D | B | 0.0000 | |
| 288 | M | B | 0.0000 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | S | B | 0.0000 | |
| 292 | H | B | 0.0000 | |
| 293 | E | B | 0.0000 | |
| 294 | P | B | 0.0000 | |
| 295 | C | B | 0.0000 | |
| 296 | V | B | 0.0000 | |
| 297 | M | B | 0.0000 | |
| 298 | C | B | 0.0000 | |
| 299 | S | B | 0.0000 | |
| 300 | M | B | 0.0000 | |
| 301 | A | B | 0.0000 | |
| 302 | L | B | 0.0000 | |
| 303 | V | B | 0.0000 | |
| 304 | H | B | -0.4872 | |
| 305 | S | B | 0.0000 | |
| 306 | R | B | -1.4832 | |
| 307 | V | B | 0.0000 | |
| 308 | R | B | -1.8626 | |
| 309 | R | B | 0.0000 | |
| 310 | V | B | 0.0000 | |
| 311 | F | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | C | B | 0.0000 | |
| 314 | F | B | 0.0000 | |
| 315 | P | B | -0.0330 | |
| 316 | N | B | 0.0000 | |
| 317 | P | B | -0.1176 | |
| 318 | V | B | -0.0306 | |
| 319 | H | B | 0.0000 | |
| 320 | G | B | 0.0000 | |
| 321 | G | B | 0.0000 | |
| 322 | L | B | 0.0000 | |
| 323 | G | B | 0.2935 | |
| 324 | S | B | -0.1425 | |
| 325 | T | B | -0.0121 | |
| 326 | V | B | 0.3767 | |
| 327 | S | B | 0.7054 | |
| 328 | I | B | 0.0000 | |
| 329 | H | B | 0.0000 | |
| 330 | A | B | -0.0106 | |
| 331 | I | B | -0.8556 | |
| 332 | Q | B | -2.2325 | |
| 333 | E | B | -2.6241 | |
| 334 | L | B | 0.0000 | |
| 335 | N | B | -2.3526 | |
| 336 | H | B | -1.8020 | |
| 337 | H | B | -1.9563 | |
| 338 | F | B | 0.0000 | |
| 339 | R | B | -0.6913 | |
| 340 | V | B | 0.0000 | |
| 341 | F | B | 0.0000 | |
| 342 | R | B | -1.2027 | |
| 343 | C | B | 0.0000 | |
| 344 | D | B | -1.7291 | |
| 345 | S | B | -1.2450 | |
| 346 | R | B | -2.2732 | |
| 347 | W | B | -1.5715 | |
| 348 | L | B | -1.2849 | |
| 349 | S | B | -1.5331 | |
| 350 | D | B | -2.4557 | |
| 351 | P | B | -1.8290 | |
| 352 | E | B | -2.1849 | |
| 353 | G | B | -1.2146 | |
| 354 | V | B | 0.0075 | |
| 355 | S | B | -0.5909 | |
| 356 | S | B | -1.2967 | |
| 357 | D | B | -2.7992 | |
| 358 | H | B | -2.8890 | |
| 359 | D | B | -3.2923 | |
| 360 | N | B | -2.9742 | |
| 361 | P | B | -1.9770 | |
| 362 | Y | B | -0.6182 | |
| 363 | W | B | -0.8998 | |
| 364 | E | B | -1.9755 | |
| 365 | D | B | -1.4289 | |
| 366 | L | B | 0.0000 | |
| 367 | T | B | 0.1229 | |
| 368 | V | B | 1.2718 | |
| 369 | P | B | 0.0000 |
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 | -0.8093 | 4.7282 | View | CSV | PDB |
| 4.5 | -0.8882 | 4.6273 | View | CSV | PDB |
| 5.0 | -0.9846 | 4.5157 | View | CSV | PDB |
| 5.5 | -1.0818 | 4.4001 | View | CSV | PDB |
| 6.0 | -1.1629 | 4.2833 | View | CSV | PDB |
| 6.5 | -1.2157 | 4.1663 | View | CSV | PDB |
| 7.0 | -1.24 | 4.0499 | View | CSV | PDB |
| 7.5 | -1.2448 | 3.9357 | View | CSV | PDB |
| 8.0 | -1.2382 | 3.828 | View | CSV | PDB |
| 8.5 | -1.2222 | 3.7365 | View | CSV | PDB |
| 9.0 | -1.1953 | 3.6738 | 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