| Chain sequence(s) |
A: QSVLTQPPSVSAAPGQKVTISCSGSSSNIGNDYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEANYYCATWDRRPTAYVVFGGGTKLTVLGAAAGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS
C: EVQLVESGAEVKKPGSSVKVSCKASGGPFRSYAISWVRQAPGQGPEWMGGIIPIFGTTKYAPKFQGRVTITADDFAGTVYMELSSLRSEDTAMYYCAKHMGYQVRETMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: QSVLTQPPSVSAAPGQKVTISCSGSSSNIGNDYVSWYQQLPGTAPKLLIYDNNKRPSGIPDRFSGSKSGTSATLGITGLQTGDEANYYCATWDRRPTAYVVFGGGTKLTVLGAAAGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS D: EVQLVESGAEVKKPGSSVKVSCKASGGPFRSYAISWVRQAPGQGPEWMGGIIPIFGTTKYAPKFQGRVTITADDFAGTVYMELSSLRSEDTAMYYCAKHMGYQVRETMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK 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. (00:00:07)
[INFO] FoldX: Starting FoldX energy minimization (00:00:07)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:29:06)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/328af56ed3e55fd/tmp/folded.pdb (00:29:06)
[INFO] Main: Simulation completed successfully. (00:47:57)
|
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 | Q | A | -1.1589 | |
| 2 | S | A | -0.5466 | |
| 3 | V | A | 0.2707 | |
| 4 | L | A | 0.0000 | |
| 5 | T | A | -0.4148 | |
| 6 | Q | A | 0.0000 | |
| 7 | P | A | -0.3726 | |
| 8 | P | A | -0.3990 | |
| 9 | S | A | 0.0000 | |
| 10 | V | A | -0.0703 | |
| 11 | S | A | -0.5110 | |
| 12 | A | A | 0.0000 | |
| 13 | A | A | -0.8842 | |
| 14 | P | A | -1.3382 | |
| 15 | G | A | -1.7928 | |
| 16 | Q | A | -2.3907 | |
| 17 | K | A | -2.4907 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.4899 | |
| 20 | I | A | 0.0000 | |
| 21 | S | A | -0.3075 | |
| 22 | C | A | 0.0000 | |
| 23 | S | A | -0.3480 | |
| 24 | G | A | -0.1845 | |
| 25 | S | A | -0.1900 | |
| 26 | S | A | -0.4891 | |
| 27 | S | A | 0.0000 | |
| 28 | N | A | 0.0000 | |
| 29 | I | A | 0.0000 | |
| 30 | G | A | -0.4070 | |
| 31 | N | A | -0.2538 | |
| 32 | D | A | 0.0000 | |
| 33 | Y | A | 0.6048 | |
| 34 | V | A | 0.0000 | |
| 35 | S | A | 0.0000 | |
| 36 | W | A | 0.0000 | |
| 37 | Y | A | 0.0000 | |
| 38 | Q | A | 0.0000 | |
| 39 | Q | A | -0.6656 | |
| 40 | L | A | -0.4074 | |
| 41 | P | A | -0.4793 | |
| 42 | G | A | -0.7012 | |
| 43 | T | A | -0.7966 | |
| 44 | A | A | -0.8592 | |
| 45 | P | A | 0.0000 | |
| 46 | K | A | -1.1776 | |
| 47 | L | A | 0.0000 | |
| 48 | L | A | 0.0000 | |
| 49 | I | A | 0.0000 | |
| 50 | Y | A | -0.7679 | |
| 51 | D | A | -0.9939 | |
| 52 | N | A | -1.1302 | |
| 53 | N | A | -1.9756 | |
| 54 | K | A | -1.9644 | |
| 55 | R | A | -1.8115 | |
| 56 | P | A | -0.8592 | |
| 57 | S | A | -0.9032 | |
| 58 | G | A | -0.8317 | |
| 59 | I | A | -0.9445 | |
| 60 | P | A | -1.3216 | |
| 61 | D | A | -2.2125 | |
| 62 | R | A | -1.5626 | |
| 63 | F | A | 0.0000 | |
| 64 | S | A | -1.3179 | |
| 65 | G | A | -1.2542 | |
| 66 | S | A | -1.2070 | |
| 67 | K | A | -1.0868 | |
| 68 | S | A | -0.8261 | |
| 69 | G | A | -0.8271 | |
| 70 | T | A | -0.6087 | |
| 71 | S | A | -0.6316 | |
| 72 | A | A | 0.0000 | |
| 73 | T | A | -0.5951 | |
| 74 | L | A | 0.0000 | |
| 75 | G | A | -0.6218 | |
| 76 | I | A | 0.0000 | |
| 77 | T | A | -1.8443 | |
| 78 | G | A | -1.6335 | |
| 79 | L | A | 0.0000 | |
| 80 | Q | A | -1.5918 | |
| 81 | T | A | -0.9830 | |
| 82 | G | A | -0.9236 | |
| 83 | D | A | 0.0000 | |
| 84 | E | A | -0.9198 | |
| 85 | A | A | 0.0000 | |
| 86 | N | A | -0.7118 | |
| 87 | Y | A | 0.0000 | |
| 88 | Y | A | 0.0000 | |
| 89 | C | A | 0.0000 | |
| 90 | A | A | 0.0000 | |
| 91 | T | A | 0.0000 | |
| 92 | W | A | 0.0000 | |
| 93 | D | A | 0.0000 | |
| 94 | R | A | -0.3477 | |
| 95 | R | A | 0.0000 | |
| 96 | P | A | -0.2683 | |
| 97 | T | A | -0.5035 | |
| 98 | A | A | -0.1857 | |
| 99 | Y | A | 0.0253 | |
| 100 | V | A | -0.0193 | |
| 101 | V | A | 0.0000 | |
| 102 | F | A | 0.0000 | |
| 103 | G | A | 0.0000 | |
| 104 | G | A | -1.1325 | |
| 105 | G | A | 0.0000 | |
| 106 | T | A | 0.0000 | |
| 107 | K | A | -0.5724 | |
| 108 | L | A | 0.0000 | |
| 109 | T | A | 0.0000 | |
| 110 | V | A | 0.0000 | |
| 111 | L | A | -0.3971 | |
| 112 | G | A | -0.5902 | |
| 113 | A | A | -0.4064 | |
| 114 | A | A | -0.4200 | |
| 115 | A | A | -0.4064 | |
| 116 | G | A | -0.8059 | |
| 117 | Q | A | -1.2434 | |
| 118 | P | A | -1.2450 | |
| 119 | K | A | -1.8987 | |
| 120 | A | A | -1.0639 | |
| 121 | A | A | -0.5017 | |
| 122 | P | A | 0.0000 | |
| 123 | S | A | -0.2182 | |
| 124 | V | A | -0.3208 | |
| 125 | T | A | -0.5278 | |
| 126 | L | A | 0.0000 | |
| 127 | F | A | 0.0000 | |
| 128 | P | A | 0.0000 | |
| 129 | P | A | 0.0000 | |
| 130 | S | A | 0.0000 | |
| 131 | S | A | -1.2144 | |
| 132 | E | A | -1.6893 | |
| 133 | E | A | 0.0000 | |
| 134 | L | A | -1.6536 | |
| 135 | Q | A | -2.1142 | |
| 136 | A | A | -1.7293 | |
| 137 | N | A | -2.4201 | |
| 138 | K | A | -2.2829 | |
| 139 | A | A | 0.0000 | |
| 140 | T | A | 0.0000 | |
| 141 | L | A | 0.0000 | |
| 142 | V | A | 0.0000 | |
| 143 | C | A | 0.0000 | |
| 144 | L | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | S | A | -0.6062 | |
| 147 | D | A | -1.3832 | |
| 148 | F | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | P | A | 0.0000 | |
| 151 | G | A | 0.0000 | |
| 152 | A | A | 0.0000 | |
| 153 | V | A | 0.0637 | |
| 154 | T | A | 0.0224 | |
| 155 | V | A | 0.1548 | |
| 156 | A | A | -0.2815 | |
| 157 | W | A | 0.0000 | |
| 158 | K | A | -0.8831 | |
| 159 | A | A | 0.0000 | |
| 160 | D | A | -1.2856 | |
| 161 | S | A | -0.8708 | |
| 162 | S | A | -0.7189 | |
| 163 | P | A | -0.7560 | |
| 164 | V | A | -0.6009 | |
| 165 | K | A | -1.0301 | |
| 166 | A | A | -0.6021 | |
| 167 | G | A | -0.4417 | |
| 168 | V | A | -0.1826 | |
| 169 | E | A | -0.3206 | |
| 170 | T | A | -0.1443 | |
| 171 | T | A | 0.0000 | |
| 172 | T | A | -0.6464 | |
| 173 | P | A | -0.5925 | |
| 174 | S | A | -1.1753 | |
| 175 | K | A | -2.4663 | |
| 176 | Q | A | -1.9814 | |
| 177 | S | A | -1.5516 | |
| 178 | N | A | -2.1590 | |
| 179 | N | A | -2.3937 | |
| 180 | K | A | -2.1336 | |
| 181 | Y | A | -1.4055 | |
| 182 | A | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | S | A | 0.0000 | |
| 185 | S | A | 0.0000 | |
| 186 | Y | A | 0.0000 | |
| 187 | L | A | 0.0000 | |
| 188 | S | A | -0.3931 | |
| 189 | L | A | -0.6337 | |
| 190 | T | A | -1.1056 | |
| 191 | P | A | -1.4421 | |
| 192 | E | A | -1.4904 | |
| 193 | Q | A | -1.0519 | |
| 194 | W | A | 0.0000 | |
| 195 | K | A | -1.3757 | |
| 196 | S | A | -1.2556 | |
| 197 | H | A | -1.6739 | |
| 198 | R | A | -2.3778 | |
| 199 | S | A | -1.5236 | |
| 200 | Y | A | 0.0000 | |
| 201 | S | A | 0.0000 | |
| 202 | C | A | 0.0000 | |
| 203 | Q | A | -0.7056 | |
| 204 | V | A | 0.0000 | |
| 205 | T | A | -0.2862 | |
| 206 | H | A | 0.0000 | |
| 207 | E | A | -0.7505 | |
| 208 | G | A | -0.6877 | |
| 209 | S | A | -0.5060 | |
| 210 | T | A | -0.3937 | |
| 211 | V | A | -0.4310 | |
| 212 | E | A | -1.4212 | |
| 213 | K | A | -1.5057 | |
| 214 | T | A | -1.0447 | |
| 215 | V | A | 0.0000 | |
| 216 | A | A | 0.0000 | |
| 217 | P | A | -1.3511 | |
| 218 | T | A | -1.7862 | |
| 219 | E | A | -2.0581 | |
| 220 | C | A | -1.0095 | |
| 221 | S | A | -0.7962 | |
| 1 | Q | B | -1.2172 | |
| 2 | S | B | -0.5524 | |
| 3 | V | B | 0.1427 | |
| 4 | L | B | 0.0000 | |
| 5 | T | B | -0.4062 | |
| 6 | Q | B | 0.0000 | |
| 7 | P | B | -0.3553 | |
| 8 | P | B | -0.3795 | |
| 9 | S | B | 0.0000 | |
| 10 | V | B | -0.0758 | |
| 11 | S | B | -0.3533 | |
| 12 | A | B | 0.0000 | |
| 13 | A | B | -0.9083 | |
| 14 | P | B | -1.3571 | |
| 15 | G | B | -1.8085 | |
| 16 | Q | B | -2.4082 | |
| 17 | K | B | -2.4941 | |
| 18 | V | B | 0.0000 | |
| 19 | T | B | -0.4879 | |
| 20 | I | B | 0.0000 | |
| 21 | S | B | -0.2928 | |
| 22 | C | B | 0.0000 | |
| 23 | S | B | -0.3423 | |
| 24 | G | B | -0.1967 | |
| 25 | S | B | -0.1768 | |
| 26 | S | B | -0.4833 | |
| 27 | S | B | 0.0000 | |
| 28 | N | B | 0.0000 | |
| 29 | I | B | 0.0000 | |
| 30 | G | B | 0.0000 | |
| 31 | N | B | -0.2747 | |
| 32 | D | B | 0.0688 | |
| 33 | Y | B | 0.5424 | |
| 34 | V | B | 0.0000 | |
| 35 | S | B | 0.0000 | |
| 36 | W | B | 0.0000 | |
| 37 | Y | B | 0.0000 | |
| 38 | Q | B | 0.0000 | |
| 39 | Q | B | -0.6572 | |
| 40 | L | B | -0.3881 | |
| 41 | P | B | -0.4684 | |
| 42 | G | B | -0.6976 | |
| 43 | T | B | -0.8025 | |
| 44 | A | B | -0.8485 | |
| 45 | P | B | 0.0000 | |
| 46 | K | B | -1.1996 | |
| 47 | L | B | 0.0000 | |
| 48 | L | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | Y | B | -0.7405 | |
| 51 | D | B | -1.0064 | |
| 52 | N | B | -1.1354 | |
| 53 | N | B | -2.0811 | |
| 54 | K | B | -1.9272 | |
| 55 | R | B | -1.9373 | |
| 56 | P | B | -0.8534 | |
| 57 | S | B | -0.9846 | |
| 58 | G | B | -0.8461 | |
| 59 | I | B | -0.9753 | |
| 60 | P | B | -1.3354 | |
| 61 | D | B | -2.2238 | |
| 62 | R | B | -1.5710 | |
| 63 | F | B | 0.0000 | |
| 64 | S | B | -1.3104 | |
| 65 | G | B | -1.2274 | |
| 66 | S | B | -1.1563 | |
| 67 | K | B | -0.9863 | |
| 68 | S | B | -0.7644 | |
| 69 | G | B | -0.7657 | |
| 70 | T | B | -0.5591 | |
| 71 | S | B | -0.5804 | |
| 72 | A | B | 0.0000 | |
| 73 | T | B | -0.5692 | |
| 74 | L | B | 0.0000 | |
| 75 | G | B | -0.6211 | |
| 76 | I | B | 0.0000 | |
| 77 | T | B | -1.8577 | |
| 78 | G | B | -1.6590 | |
| 79 | L | B | 0.0000 | |
| 80 | Q | B | -1.6270 | |
| 81 | T | B | -0.9896 | |
| 82 | G | B | -0.9185 | |
| 83 | D | B | 0.0000 | |
| 84 | E | B | -0.8697 | |
| 85 | A | B | 0.0000 | |
| 86 | N | B | -0.6522 | |
| 87 | Y | B | 0.0000 | |
| 88 | Y | B | 0.0000 | |
| 89 | C | B | 0.0000 | |
| 90 | A | B | 0.0000 | |
| 91 | T | B | 0.0000 | |
| 92 | W | B | 0.0000 | |
| 93 | D | B | 0.0000 | |
| 94 | R | B | -0.5307 | |
| 95 | R | B | 0.0000 | |
| 96 | P | B | -0.3921 | |
| 97 | T | B | -0.4865 | |
| 98 | A | B | -0.2413 | |
| 99 | Y | B | -0.0751 | |
| 100 | V | B | -0.0552 | |
| 101 | V | B | 0.0000 | |
| 102 | F | B | 0.0000 | |
| 103 | G | B | 0.0000 | |
| 104 | G | B | -0.9535 | |
| 105 | G | B | 0.0000 | |
| 106 | T | B | 0.0000 | |
| 107 | K | B | -0.4837 | |
| 108 | L | B | 0.0000 | |
| 109 | T | B | 0.0000 | |
| 110 | V | B | 0.0000 | |
| 111 | L | B | -0.4515 | |
| 112 | G | B | -0.5886 | |
| 113 | A | B | -0.4121 | |
| 114 | A | B | -0.3613 | |
| 115 | A | B | -0.3592 | |
| 116 | G | B | -0.7854 | |
| 117 | Q | B | -1.1491 | |
| 118 | P | B | -1.2266 | |
| 119 | K | B | -1.8835 | |
| 120 | A | B | -1.0475 | |
| 121 | A | B | -0.4675 | |
| 122 | P | B | 0.0000 | |
| 123 | S | B | -0.1742 | |
| 124 | V | B | -0.3015 | |
| 125 | T | B | -0.4380 | |
| 126 | L | B | 0.0000 | |
| 127 | F | B | 0.0000 | |
| 128 | P | B | 0.0000 | |
| 129 | P | B | 0.0000 | |
| 130 | S | B | 0.0000 | |
| 131 | S | B | -1.5132 | |
| 132 | E | B | -2.3407 | |
| 133 | E | B | 0.0000 | |
| 134 | L | B | -1.8275 | |
| 135 | Q | B | -2.3057 | |
| 136 | A | B | -1.8181 | |
| 137 | N | B | -2.4512 | |
| 138 | K | B | -2.1911 | |
| 139 | A | B | 0.0000 | |
| 140 | T | B | 0.0000 | |
| 141 | L | B | 0.0000 | |
| 142 | V | B | 0.0000 | |
| 143 | C | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | S | B | -0.5924 | |
| 147 | D | B | -1.3010 | |
| 148 | F | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | P | B | 0.0000 | |
| 151 | G | B | 0.0000 | |
| 152 | A | B | -0.1189 | |
| 153 | V | B | 0.0598 | |
| 154 | T | B | 0.0117 | |
| 155 | V | B | 0.1030 | |
| 156 | A | B | -0.3769 | |
| 157 | W | B | 0.0000 | |
| 158 | K | B | -0.8589 | |
| 159 | A | B | 0.0000 | |
| 160 | D | B | -1.2376 | |
| 161 | S | B | -0.8544 | |
| 162 | S | B | -0.7822 | |
| 163 | P | B | -0.7426 | |
| 164 | V | B | -0.6125 | |
| 165 | K | B | -1.1280 | |
| 166 | A | B | -0.6233 | |
| 167 | G | B | -0.4510 | |
| 168 | V | B | -0.2070 | |
| 169 | E | B | -0.3147 | |
| 170 | T | B | -0.1331 | |
| 171 | T | B | 0.0000 | |
| 172 | T | B | -0.6440 | |
| 173 | P | B | -0.5957 | |
| 174 | S | B | -1.1455 | |
| 175 | K | B | -2.3811 | |
| 176 | Q | B | -1.8821 | |
| 177 | S | B | -1.4586 | |
| 178 | N | B | -2.0080 | |
| 179 | N | B | -2.0862 | |
| 180 | K | B | -1.9860 | |
| 181 | Y | B | -1.3356 | |
| 182 | A | B | 0.0000 | |
| 183 | A | B | 0.0000 | |
| 184 | S | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | Y | B | 0.0000 | |
| 187 | L | B | 0.0000 | |
| 188 | S | B | -0.3559 | |
| 189 | L | B | -0.6863 | |
| 190 | T | B | -1.2642 | |
| 191 | P | B | -1.6270 | |
| 192 | E | B | -2.0167 | |
| 193 | Q | B | -1.3655 | |
| 194 | W | B | 0.0000 | |
| 195 | K | B | -1.5712 | |
| 196 | S | B | -1.4192 | |
| 197 | H | B | -1.7100 | |
| 198 | R | B | -2.4017 | |
| 199 | S | B | -1.5176 | |
| 200 | Y | B | 0.0000 | |
| 201 | S | B | 0.0000 | |
| 202 | C | B | 0.0000 | |
| 203 | Q | B | -0.8464 | |
| 204 | V | B | 0.0000 | |
| 205 | T | B | -0.3482 | |
| 206 | H | B | 0.0000 | |
| 207 | E | B | -0.8121 | |
| 208 | G | B | -0.7287 | |
| 209 | S | B | -0.5555 | |
| 210 | T | B | -0.4700 | |
| 211 | V | B | -0.4272 | |
| 212 | E | B | -1.7400 | |
| 213 | K | B | -1.2635 | |
| 214 | T | B | -0.9030 | |
| 215 | V | B | 0.0000 | |
| 216 | A | B | -1.2503 | |
| 217 | P | B | -1.4321 | |
| 218 | T | B | -1.9141 | |
| 219 | E | B | -2.2941 | |
| 220 | C | B | -1.1495 | |
| 221 | S | B | -0.8080 | |
| 1 | E | C | -2.4516 | |
| 2 | V | C | 0.0000 | |
| 3 | Q | C | -1.6881 | |
| 4 | L | C | 0.0000 | |
| 5 | V | C | 0.2013 | |
| 6 | E | C | -0.2042 | |
| 7 | S | C | -0.6716 | |
| 8 | G | C | -0.5566 | |
| 9 | A | C | -0.1699 | |
| 10 | E | C | -0.3305 | |
| 11 | V | C | 0.8202 | |
| 12 | K | C | -0.9641 | |
| 13 | K | C | -2.1217 | |
| 14 | P | C | -2.0575 | |
| 15 | G | C | -1.6209 | |
| 16 | S | C | -1.3348 | |
| 17 | S | C | -1.5098 | |
| 18 | V | C | 0.0000 | |
| 19 | K | C | -2.1987 | |
| 20 | V | C | 0.0000 | |
| 21 | S | C | -0.5384 | |
| 22 | C | C | 0.0000 | |
| 23 | K | C | -0.5975 | |
| 24 | A | C | 0.0000 | |
| 25 | S | C | -1.3085 | |
| 26 | G | C | -1.9363 | |
| 27 | G | C | -1.5537 | |
| 28 | P | C | 0.0000 | |
| 29 | F | C | 0.0000 | |
| 30 | R | C | -0.5228 | |
| 31 | S | C | -0.2424 | |
| 32 | Y | C | 0.0000 | |
| 33 | A | C | 0.0000 | |
| 34 | I | C | 0.0000 | |
| 35 | S | C | 0.0000 | |
| 36 | W | C | 0.0000 | |
| 37 | V | C | 0.0000 | |
| 38 | R | C | 0.0000 | |
| 39 | Q | C | -0.6221 | |
| 40 | A | C | -1.0229 | |
| 41 | P | C | -1.0061 | |
| 42 | G | C | -1.2823 | |
| 43 | Q | C | -1.7354 | |
| 44 | G | C | -1.2852 | |
| 45 | P | C | 0.0000 | |
| 46 | E | C | -0.8296 | |
| 47 | W | C | 0.0000 | |
| 48 | M | C | 0.0000 | |
| 49 | G | C | 0.0000 | |
| 50 | G | C | 0.0000 | |
| 51 | I | C | 0.0000 | |
| 52 | I | C | 0.0000 | |
| 53 | P | C | 0.0000 | |
| 54 | I | C | 0.1935 | |
| 55 | F | C | 0.0000 | |
| 56 | G | C | -0.0567 | |
| 57 | T | C | 0.0000 | |
| 58 | T | C | -0.0224 | |
| 59 | K | C | 0.0000 | |
| 60 | Y | C | -0.4421 | |
| 61 | A | C | 0.0000 | |
| 62 | P | C | -1.3122 | |
| 63 | K | C | -2.1477 | |
| 64 | F | C | 0.0000 | |
| 65 | Q | C | -1.7687 | |
| 66 | G | C | -1.4230 | |
| 67 | R | C | -1.4071 | |
| 68 | V | C | 0.0000 | |
| 69 | T | C | -0.8458 | |
| 70 | I | C | 0.0000 | |
| 71 | T | C | -0.2130 | |
| 72 | A | C | -0.1280 | |
| 73 | D | C | -0.3789 | |
| 74 | D | C | -0.3447 | |
| 75 | F | C | 0.0519 | |
| 76 | A | C | -0.2229 | |
| 77 | G | C | 0.0000 | |
| 78 | T | C | 0.0000 | |
| 79 | V | C | 0.0000 | |
| 80 | Y | C | -0.5052 | |
| 81 | M | C | 0.0000 | |
| 82 | E | C | -1.7659 | |
| 83 | L | C | 0.0000 | |
| 84 | S | C | -1.2736 | |
| 85 | S | C | -1.2713 | |
| 86 | L | C | 0.0000 | |
| 87 | R | C | -3.0997 | |
| 88 | S | C | 0.0000 | |
| 89 | E | C | -2.5465 | |
| 90 | D | C | 0.0000 | |
| 91 | T | C | -0.8355 | |
| 92 | A | C | 0.0000 | |
| 93 | M | C | -0.0611 | |
| 94 | Y | C | 0.0000 | |
| 95 | Y | C | 0.0000 | |
| 96 | C | C | 0.0000 | |
| 97 | A | C | 0.0000 | |
| 98 | K | C | 0.0000 | |
| 99 | H | C | 0.0000 | |
| 100 | M | C | -0.0114 | |
| 101 | G | C | -0.0865 | |
| 102 | Y | C | -0.0383 | |
| 103 | Q | C | -0.4469 | |
| 104 | V | C | 0.0000 | |
| 105 | R | C | -0.7010 | |
| 106 | E | C | -0.7179 | |
| 107 | T | C | -0.3288 | |
| 108 | M | C | 0.0000 | |
| 109 | D | C | -0.4925 | |
| 110 | V | C | -0.7541 | |
| 111 | W | C | -0.5585 | |
| 112 | G | C | 0.0000 | |
| 113 | K | C | -1.5424 | |
| 114 | G | C | 0.0000 | |
| 115 | T | C | 0.0000 | |
| 116 | T | C | 0.0639 | |
| 117 | V | C | 0.0000 | |
| 118 | T | C | -0.3197 | |
| 119 | V | C | 0.0000 | |
| 120 | S | C | 0.0000 | |
| 121 | S | C | -0.9746 | |
| 122 | A | C | -0.4071 | |
| 123 | S | C | -0.6545 | |
| 124 | T | C | -0.8566 | |
| 125 | K | C | -1.2599 | |
| 126 | G | C | -1.3682 | |
| 127 | P | C | 0.0000 | |
| 128 | S | C | -0.2442 | |
| 129 | V | C | 0.0000 | |
| 130 | F | C | 0.0000 | |
| 131 | P | C | -1.0452 | |
| 132 | L | C | 0.0000 | |
| 133 | A | C | -1.0482 | |
| 134 | P | C | 0.0000 | |
| 135 | S | C | -1.1452 | |
| 136 | S | C | -1.1994 | |
| 137 | K | C | -2.0807 | |
| 138 | S | C | -1.0681 | |
| 139 | T | C | -1.0482 | |
| 140 | S | C | -0.9915 | |
| 141 | G | C | -0.8491 | |
| 142 | G | C | -0.9072 | |
| 143 | T | C | -0.6546 | |
| 144 | A | C | 0.0000 | |
| 145 | A | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | G | C | 0.0000 | |
| 148 | C | C | 0.0000 | |
| 149 | L | C | 0.0000 | |
| 150 | V | C | 0.0000 | |
| 151 | K | C | 0.0000 | |
| 152 | D | C | -0.3900 | |
| 153 | Y | C | 0.0000 | |
| 154 | F | C | -0.4603 | |
| 155 | P | C | -0.8277 | |
| 156 | E | C | -1.0229 | |
| 157 | P | C | -0.9884 | |
| 158 | V | C | -0.7667 | |
| 159 | T | C | -0.5879 | |
| 160 | V | C | -0.2480 | |
| 161 | S | C | -0.3458 | |
| 162 | W | C | 0.0000 | |
| 163 | N | C | -0.7575 | |
| 164 | S | C | -0.6253 | |
| 165 | G | C | -0.4859 | |
| 166 | A | C | -0.2197 | |
| 167 | L | C | -0.0030 | |
| 168 | T | C | -0.2033 | |
| 169 | S | C | -0.2846 | |
| 170 | G | C | -0.3713 | |
| 171 | V | C | 0.1327 | |
| 172 | H | C | -0.1562 | |
| 173 | T | C | -0.0410 | |
| 174 | F | C | 0.0000 | |
| 175 | P | C | -0.1207 | |
| 176 | A | C | -0.0416 | |
| 177 | V | C | 0.0000 | |
| 178 | L | C | -0.0258 | |
| 179 | Q | C | -0.3921 | |
| 180 | S | C | -1.0965 | |
| 181 | S | C | -0.7555 | |
| 182 | G | C | 0.0000 | |
| 183 | L | C | -0.1390 | |
| 184 | Y | C | 0.0082 | |
| 185 | S | C | 0.0000 | |
| 186 | L | C | 0.0000 | |
| 187 | S | C | 0.0000 | |
| 188 | S | C | 0.0000 | |
| 189 | V | C | 0.1485 | |
| 190 | V | C | 0.0000 | |
| 191 | T | C | -0.2318 | |
| 192 | V | C | 0.0000 | |
| 193 | P | C | -0.6319 | |
| 194 | S | C | -0.5801 | |
| 195 | S | C | -0.5720 | |
| 196 | S | C | -0.5544 | |
| 197 | L | C | -0.7405 | |
| 198 | G | C | -0.9394 | |
| 199 | T | C | -0.6719 | |
| 200 | Q | C | -1.1465 | |
| 201 | T | C | -1.1319 | |
| 202 | Y | C | 0.0000 | |
| 203 | I | C | -1.3507 | |
| 204 | C | C | 0.0000 | |
| 205 | N | C | -1.3662 | |
| 206 | V | C | 0.0000 | |
| 207 | N | C | -1.8202 | |
| 208 | H | C | 0.0000 | |
| 209 | K | C | -2.7827 | |
| 210 | P | C | -1.7211 | |
| 211 | S | C | -1.8361 | |
| 212 | N | C | -2.6021 | |
| 213 | T | C | -2.0571 | |
| 214 | K | C | -2.5613 | |
| 215 | V | C | -1.4364 | |
| 216 | D | C | -2.1827 | |
| 217 | K | C | -2.0920 | |
| 218 | R | C | -2.6251 | |
| 219 | V | C | 0.0000 | |
| 220 | E | C | -2.6459 | |
| 221 | P | C | -1.3163 | |
| 222 | K | C | -1.2939 | |
| 223 | S | C | -1.1497 | |
| 224 | C | C | -1.1950 | |
| 225 | D | C | -2.7494 | |
| 226 | K | C | -2.8597 | |
| 227 | T | C | -1.8357 | |
| 228 | H | C | -1.7738 | |
| 229 | T | C | -1.0772 | |
| 230 | C | C | -0.8130 | |
| 231 | P | C | -0.7659 | |
| 232 | P | C | -0.6251 | |
| 233 | C | C | -0.3782 | |
| 234 | P | C | -0.5060 | |
| 235 | A | C | -0.7220 | |
| 236 | P | C | -0.7793 | |
| 237 | E | C | -1.2537 | |
| 238 | L | C | -0.1590 | |
| 239 | L | C | 1.0766 | |
| 240 | G | C | 0.1974 | |
| 241 | G | C | -0.4055 | |
| 242 | P | C | 0.0000 | |
| 243 | S | C | -0.1773 | |
| 244 | V | C | 0.0000 | |
| 245 | F | C | -0.0755 | |
| 246 | L | C | 0.0000 | |
| 247 | F | C | 0.0000 | |
| 248 | P | C | -0.3761 | |
| 249 | P | C | 0.0000 | |
| 250 | K | C | -1.2367 | |
| 251 | P | C | -1.0662 | |
| 252 | K | C | -1.2884 | |
| 253 | D | C | -1.2101 | |
| 254 | T | C | 0.0000 | |
| 255 | L | C | 0.0000 | |
| 256 | M | C | 0.0149 | |
| 257 | I | C | 1.0391 | |
| 258 | S | C | -0.1992 | |
| 259 | R | C | -1.6423 | |
| 260 | T | C | -0.9011 | |
| 261 | P | C | 0.0000 | |
| 262 | E | C | -1.2336 | |
| 263 | V | C | 0.0000 | |
| 264 | T | C | 0.0000 | |
| 265 | C | C | 0.0000 | |
| 266 | V | C | 0.0000 | |
| 267 | V | C | 0.0000 | |
| 268 | V | C | 0.0000 | |
| 269 | D | C | -0.6254 | |
| 270 | V | C | 0.0000 | |
| 271 | S | C | 0.0000 | |
| 272 | H | C | -2.4364 | |
| 273 | E | C | -2.8747 | |
| 274 | D | C | -2.5537 | |
| 275 | P | C | -2.5444 | |
| 276 | E | C | -3.0778 | |
| 277 | V | C | -1.9617 | |
| 278 | K | C | -2.2605 | |
| 279 | F | C | -1.4076 | |
| 280 | N | C | -1.2905 | |
| 281 | W | C | 0.0000 | |
| 282 | Y | C | -0.7988 | |
| 283 | V | C | -0.9993 | |
| 284 | D | C | -2.1245 | |
| 285 | G | C | -0.9634 | |
| 286 | V | C | 0.3523 | |
| 287 | E | C | -1.2010 | |
| 288 | V | C | -0.7959 | |
| 289 | H | C | -1.9806 | |
| 290 | N | C | -2.2259 | |
| 291 | A | C | -1.8712 | |
| 292 | K | C | -2.3927 | |
| 293 | T | C | -1.8542 | |
| 294 | K | C | -2.0113 | |
| 295 | P | C | -2.1300 | |
| 296 | R | C | -3.1322 | |
| 297 | E | C | -3.1629 | |
| 298 | E | C | -3.1548 | |
| 299 | Q | C | -1.5181 | |
| 300 | Y | C | -0.4511 | |
| 301 | N | C | -0.8474 | |
| 302 | S | C | -0.9974 | |
| 303 | T | C | 0.0000 | |
| 304 | Y | C | -2.0552 | |
| 305 | R | C | 0.0000 | |
| 306 | V | C | 0.0000 | |
| 307 | V | C | 0.0000 | |
| 308 | S | C | 0.0000 | |
| 309 | V | C | 0.0000 | |
| 310 | L | C | 0.0000 | |
| 311 | T | C | -0.7632 | |
| 312 | V | C | 0.0000 | |
| 313 | L | C | 0.3071 | |
| 314 | H | C | -0.4329 | |
| 315 | Q | C | -1.2937 | |
| 316 | D | C | -1.6486 | |
| 317 | W | C | 0.0000 | |
| 318 | L | C | -1.2134 | |
| 319 | N | C | -2.1134 | |
| 320 | G | C | -2.0416 | |
| 321 | K | C | -2.3406 | |
| 322 | E | C | -2.2791 | |
| 323 | Y | C | 0.0000 | |
| 324 | K | C | -1.6264 | |
| 325 | C | C | 0.0000 | |
| 326 | K | C | -1.4757 | |
| 327 | V | C | 0.0000 | |
| 328 | S | C | -1.4845 | |
| 329 | N | C | 0.0000 | |
| 330 | K | C | -2.5831 | |
| 331 | A | C | -1.4231 | |
| 332 | L | C | -0.6484 | |
| 333 | P | C | -0.5158 | |
| 334 | A | C | -0.4352 | |
| 335 | P | C | -0.8972 | |
| 336 | I | C | -0.6120 | |
| 337 | E | C | -2.0105 | |
| 338 | K | C | -1.2584 | |
| 339 | T | C | -1.1936 | |
| 340 | I | C | 0.0000 | |
| 341 | S | C | -1.2991 | |
| 342 | K | C | -1.0776 | |
| 343 | A | C | -1.1553 | |
| 344 | K | C | -1.7667 | |
| 345 | G | C | -1.8623 | |
| 346 | Q | C | -2.1083 | |
| 347 | P | C | -1.5361 | |
| 348 | R | C | -1.8690 | |
| 349 | E | C | -1.9131 | |
| 350 | P | C | 0.0000 | |
| 351 | Q | C | -1.1395 | |
| 352 | V | C | 0.0000 | |
| 353 | Y | C | 0.0000 | |
| 354 | T | C | -0.7888 | |
| 355 | L | C | 0.0000 | |
| 356 | P | C | -0.3834 | |
| 357 | P | C | -0.8677 | |
| 358 | S | C | 0.0000 | |
| 359 | R | C | -2.7004 | |
| 360 | E | C | -2.8695 | |
| 361 | E | C | 0.0000 | |
| 362 | M | C | -1.8915 | |
| 363 | T | C | -1.6556 | |
| 364 | K | C | -2.1645 | |
| 365 | N | C | -2.4057 | |
| 366 | Q | C | -2.1632 | |
| 367 | V | C | 0.0000 | |
| 368 | S | C | 0.0000 | |
| 369 | L | C | 0.0000 | |
| 370 | T | C | 0.0000 | |
| 371 | C | C | 0.0000 | |
| 372 | L | C | 0.0000 | |
| 373 | V | C | 0.0000 | |
| 374 | K | C | -0.6647 | |
| 375 | G | C | -1.1518 | |
| 376 | F | C | 0.0000 | |
| 377 | Y | C | 0.0000 | |
| 378 | P | C | 0.0000 | |
| 379 | S | C | -0.9514 | |
| 380 | D | C | -1.7779 | |
| 381 | I | C | -0.6909 | |
| 382 | A | C | -0.4842 | |
| 383 | V | C | 0.0000 | |
| 384 | E | C | -1.4174 | |
| 385 | W | C | 0.0000 | |
| 386 | E | C | -1.7908 | |
| 387 | S | C | 0.0000 | |
| 388 | N | C | -1.8402 | |
| 389 | G | C | -1.7428 | |
| 390 | Q | C | -2.2723 | |
| 391 | P | C | -1.9473 | |
| 392 | E | C | -1.8183 | |
| 393 | N | C | -2.0586 | |
| 394 | N | C | -1.2685 | |
| 395 | Y | C | -0.8635 | |
| 396 | K | C | -0.7992 | |
| 397 | T | C | -0.3513 | |
| 398 | T | C | 0.0000 | |
| 399 | P | C | -0.0886 | |
| 400 | P | C | -0.3227 | |
| 401 | V | C | 0.0000 | |
| 402 | L | C | -0.4171 | |
| 403 | D | C | -1.1499 | |
| 404 | S | C | -1.4997 | |
| 405 | D | C | -2.1604 | |
| 406 | G | C | -1.6460 | |
| 407 | S | C | 0.0000 | |
| 408 | F | C | 0.0000 | |
| 409 | F | C | 0.0000 | |
| 410 | L | C | 0.0000 | |
| 411 | Y | C | 0.0000 | |
| 412 | S | C | 0.0000 | |
| 413 | K | C | 0.0000 | |
| 414 | L | C | 0.0000 | |
| 415 | T | C | -0.7865 | |
| 416 | V | C | 0.0000 | |
| 417 | D | C | -2.1929 | |
| 418 | K | C | -2.3712 | |
| 419 | S | C | -2.0758 | |
| 420 | R | C | -1.8514 | |
| 421 | W | C | 0.0000 | |
| 422 | Q | C | -2.1811 | |
| 423 | Q | C | -2.0320 | |
| 424 | G | C | -1.1295 | |
| 425 | N | C | -0.8262 | |
| 426 | V | C | 0.2285 | |
| 427 | F | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | C | C | 0.0000 | |
| 430 | S | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | M | C | 0.0000 | |
| 433 | H | C | 0.0000 | |
| 434 | E | C | -1.0890 | |
| 435 | A | C | -1.1972 | |
| 436 | L | C | -1.1711 | |
| 437 | H | C | -1.6172 | |
| 438 | N | C | -1.3237 | |
| 439 | H | C | -0.7378 | |
| 440 | Y | C | -0.3527 | |
| 441 | T | C | -0.7759 | |
| 442 | Q | C | -1.3001 | |
| 443 | K | C | -1.2345 | |
| 444 | S | C | -0.5668 | |
| 445 | L | C | 0.0000 | |
| 446 | S | C | -0.0781 | |
| 447 | L | C | -0.2487 | |
| 448 | S | C | -0.5339 | |
| 449 | P | C | -1.0523 | |
| 450 | G | C | -1.4116 | |
| 451 | K | C | -2.0268 | |
| 1 | E | D | -2.3194 | |
| 2 | V | D | -1.5793 | |
| 3 | Q | D | -1.5934 | |
| 4 | L | D | 0.0000 | |
| 5 | V | D | 0.3066 | |
| 6 | E | D | 0.0000 | |
| 7 | S | D | -0.5641 | |
| 8 | G | D | -0.4975 | |
| 9 | A | D | -0.1123 | |
| 10 | E | D | -0.2749 | |
| 11 | V | D | 0.8403 | |
| 12 | K | D | -0.9553 | |
| 13 | K | D | -2.1403 | |
| 14 | P | D | -2.0812 | |
| 15 | G | D | -1.6232 | |
| 16 | S | D | -1.3083 | |
| 17 | S | D | -1.5021 | |
| 18 | V | D | 0.0000 | |
| 19 | K | D | -2.2035 | |
| 20 | V | D | 0.0000 | |
| 21 | S | D | -0.4664 | |
| 22 | C | D | 0.0000 | |
| 23 | K | D | -0.5439 | |
| 24 | A | D | -0.6325 | |
| 25 | S | D | -1.1504 | |
| 26 | G | D | -1.7144 | |
| 27 | G | D | 0.0000 | |
| 28 | P | D | 0.0000 | |
| 29 | F | D | 0.0000 | |
| 30 | R | D | -0.7616 | |
| 31 | S | D | -0.4377 | |
| 32 | Y | D | 0.0000 | |
| 33 | A | D | 0.0000 | |
| 34 | I | D | 0.0000 | |
| 35 | S | D | 0.0000 | |
| 36 | W | D | 0.0000 | |
| 37 | V | D | 0.0000 | |
| 38 | R | D | -0.4011 | |
| 39 | Q | D | 0.0000 | |
| 40 | A | D | -0.9930 | |
| 41 | P | D | -0.9830 | |
| 42 | G | D | -1.2427 | |
| 43 | Q | D | -1.6812 | |
| 44 | G | D | -1.0850 | |
| 45 | P | D | 0.0000 | |
| 46 | E | D | -0.8050 | |
| 47 | W | D | 0.0000 | |
| 48 | M | D | 0.0000 | |
| 49 | G | D | 0.0000 | |
| 50 | G | D | 0.0000 | |
| 51 | I | D | 0.0000 | |
| 52 | I | D | 0.0000 | |
| 53 | P | D | 0.0000 | |
| 54 | I | D | -0.0350 | |
| 55 | F | D | 0.0000 | |
| 56 | G | D | -0.0636 | |
| 57 | T | D | 0.0000 | |
| 58 | T | D | -0.0684 | |
| 59 | K | D | -0.2222 | |
| 60 | Y | D | -0.5005 | |
| 61 | A | D | 0.0000 | |
| 62 | P | D | -1.2899 | |
| 63 | K | D | -2.0656 | |
| 64 | F | D | 0.0000 | |
| 65 | Q | D | -1.7233 | |
| 66 | G | D | -1.3920 | |
| 67 | R | D | -1.3895 | |
| 68 | V | D | 0.0000 | |
| 69 | T | D | -0.8701 | |
| 70 | I | D | 0.0000 | |
| 71 | T | D | -0.1811 | |
| 72 | A | D | -0.1150 | |
| 73 | D | D | -0.3067 | |
| 74 | D | D | -0.2665 | |
| 75 | F | D | 0.0128 | |
| 76 | A | D | -0.2124 | |
| 77 | G | D | -0.5400 | |
| 78 | T | D | 0.0000 | |
| 79 | V | D | 0.0000 | |
| 80 | Y | D | -0.4533 | |
| 81 | M | D | 0.0000 | |
| 82 | E | D | -1.8021 | |
| 83 | L | D | 0.0000 | |
| 84 | S | D | -1.2798 | |
| 85 | S | D | -1.2651 | |
| 86 | L | D | 0.0000 | |
| 87 | R | D | -3.1154 | |
| 88 | S | D | -2.2708 | |
| 89 | E | D | -2.5475 | |
| 90 | D | D | 0.0000 | |
| 91 | T | D | -0.8274 | |
| 92 | A | D | 0.0000 | |
| 93 | M | D | -0.0312 | |
| 94 | Y | D | 0.0000 | |
| 95 | Y | D | 0.0000 | |
| 96 | C | D | 0.0000 | |
| 97 | A | D | 0.0000 | |
| 98 | K | D | 0.0000 | |
| 99 | H | D | 0.0000 | |
| 100 | M | D | -0.1013 | |
| 101 | G | D | -0.1187 | |
| 102 | Y | D | -0.1043 | |
| 103 | Q | D | -0.4276 | |
| 104 | V | D | 0.0000 | |
| 105 | R | D | -0.7225 | |
| 106 | E | D | -0.6877 | |
| 107 | T | D | -0.3157 | |
| 108 | M | D | 0.0000 | |
| 109 | D | D | -0.4504 | |
| 110 | V | D | -0.7194 | |
| 111 | W | D | -0.5159 | |
| 112 | G | D | 0.0000 | |
| 113 | K | D | -1.4930 | |
| 114 | G | D | 0.0000 | |
| 115 | T | D | 0.0000 | |
| 116 | T | D | 0.1084 | |
| 117 | V | D | 0.0000 | |
| 118 | T | D | -0.3087 | |
| 119 | V | D | 0.0000 | |
| 120 | S | D | 0.0000 | |
| 121 | S | D | -0.9231 | |
| 122 | A | D | -0.4004 | |
| 123 | S | D | -0.6139 | |
| 124 | T | D | -0.6367 | |
| 125 | K | D | -1.0408 | |
| 126 | G | D | -1.2529 | |
| 127 | P | D | 0.0000 | |
| 128 | S | D | -0.2128 | |
| 129 | V | D | 0.0000 | |
| 130 | F | D | 0.0000 | |
| 131 | P | D | -1.1526 | |
| 132 | L | D | 0.0000 | |
| 133 | A | D | -1.0552 | |
| 134 | P | D | 0.0000 | |
| 135 | S | D | -1.0379 | |
| 136 | S | D | -1.0161 | |
| 137 | K | D | -1.5886 | |
| 138 | S | D | -0.7952 | |
| 139 | T | D | -0.8944 | |
| 140 | S | D | -0.9064 | |
| 141 | G | D | -0.8494 | |
| 142 | G | D | -0.9072 | |
| 143 | T | D | -0.6328 | |
| 144 | A | D | 0.0000 | |
| 145 | A | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | G | D | 0.0000 | |
| 148 | C | D | 0.0000 | |
| 149 | L | D | 0.0000 | |
| 150 | V | D | 0.0000 | |
| 151 | K | D | 0.0000 | |
| 152 | D | D | -0.3361 | |
| 153 | Y | D | 0.0000 | |
| 154 | F | D | -0.3859 | |
| 155 | P | D | -0.7911 | |
| 156 | E | D | -1.0060 | |
| 157 | P | D | -0.9771 | |
| 158 | V | D | -0.7475 | |
| 159 | T | D | -0.5621 | |
| 160 | V | D | -0.2678 | |
| 161 | S | D | -0.3671 | |
| 162 | W | D | 0.0000 | |
| 163 | N | D | -0.7900 | |
| 164 | S | D | -0.6628 | |
| 165 | G | D | -0.4741 | |
| 166 | A | D | -0.2179 | |
| 167 | L | D | 0.0033 | |
| 168 | T | D | -0.2035 | |
| 169 | S | D | -0.2852 | |
| 170 | G | D | -0.3725 | |
| 171 | V | D | 0.1304 | |
| 172 | H | D | -0.1590 | |
| 173 | T | D | -0.0413 | |
| 174 | F | D | 0.0000 | |
| 175 | P | D | -0.1136 | |
| 176 | A | D | -0.0243 | |
| 177 | V | D | 0.0000 | |
| 178 | L | D | 0.0571 | |
| 179 | Q | D | -0.3406 | |
| 180 | S | D | -1.0335 | |
| 181 | S | D | -0.7056 | |
| 182 | G | D | 0.0000 | |
| 183 | L | D | -0.0921 | |
| 184 | Y | D | 0.0571 | |
| 185 | S | D | 0.0000 | |
| 186 | L | D | 0.0000 | |
| 187 | S | D | 0.0000 | |
| 188 | S | D | 0.0000 | |
| 189 | V | D | 0.1478 | |
| 190 | V | D | 0.0000 | |
| 191 | T | D | -0.2322 | |
| 192 | V | D | 0.0000 | |
| 193 | P | D | -0.6287 | |
| 194 | S | D | -0.5784 | |
| 195 | S | D | -0.5681 | |
| 196 | S | D | -0.5479 | |
| 197 | L | D | -0.7384 | |
| 198 | G | D | -0.9390 | |
| 199 | T | D | -0.6660 | |
| 200 | Q | D | -1.1303 | |
| 201 | T | D | -1.1256 | |
| 202 | Y | D | 0.0000 | |
| 203 | I | D | -1.4044 | |
| 204 | C | D | 0.0000 | |
| 205 | N | D | -1.4755 | |
| 206 | V | D | 0.0000 | |
| 207 | N | D | -1.8128 | |
| 208 | H | D | 0.0000 | |
| 209 | K | D | -2.7663 | |
| 210 | P | D | -1.6830 | |
| 211 | S | D | -1.7704 | |
| 212 | N | D | -2.5594 | |
| 213 | T | D | -2.0092 | |
| 214 | K | D | -2.6211 | |
| 215 | V | D | -1.6020 | |
| 216 | D | D | -2.5604 | |
| 217 | K | D | -2.2606 | |
| 218 | R | D | -2.6950 | |
| 219 | V | D | 0.0000 | |
| 220 | E | D | -2.6469 | |
| 221 | P | D | -1.3295 | |
| 222 | K | D | -1.2902 | |
| 223 | S | D | -1.1235 | |
| 224 | C | D | -1.1627 | |
| 225 | D | D | -2.7407 | |
| 226 | K | D | -2.8792 | |
| 227 | T | D | -1.8269 | |
| 228 | H | D | -1.7993 | |
| 229 | T | D | -1.1376 | |
| 230 | C | D | -0.9670 | |
| 231 | P | D | -0.8700 | |
| 232 | P | D | -0.9012 | |
| 233 | C | D | -0.5101 | |
| 234 | P | D | -0.5205 | |
| 235 | A | D | -0.7326 | |
| 236 | P | D | -0.9296 | |
| 237 | E | D | -1.2124 | |
| 238 | L | D | 0.0660 | |
| 239 | L | D | 1.1478 | |
| 240 | G | D | 0.2730 | |
| 241 | G | D | -0.3649 | |
| 242 | P | D | 0.0000 | |
| 243 | S | D | -0.1999 | |
| 244 | V | D | 0.0000 | |
| 245 | F | D | -0.0994 | |
| 246 | L | D | 0.0000 | |
| 247 | F | D | 0.0000 | |
| 248 | P | D | 0.0000 | |
| 249 | P | D | 0.0000 | |
| 250 | K | D | -0.9741 | |
| 251 | P | D | -0.8037 | |
| 252 | K | D | -0.9010 | |
| 253 | D | D | -0.9072 | |
| 254 | T | D | 0.0000 | |
| 255 | L | D | 0.0000 | |
| 256 | M | D | 0.1894 | |
| 257 | I | D | 1.2037 | |
| 258 | S | D | 0.0422 | |
| 259 | R | D | -1.1338 | |
| 260 | T | D | -0.6361 | |
| 261 | P | D | 0.0000 | |
| 262 | E | D | -1.2027 | |
| 263 | V | D | 0.0000 | |
| 264 | T | D | 0.0000 | |
| 265 | C | D | 0.0000 | |
| 266 | V | D | 0.0000 | |
| 267 | V | D | 0.0000 | |
| 268 | V | D | 0.0000 | |
| 269 | D | D | -0.6215 | |
| 270 | V | D | 0.0000 | |
| 271 | S | D | 0.0000 | |
| 272 | H | D | -1.9509 | |
| 273 | E | D | -2.6608 | |
| 274 | D | D | -2.3927 | |
| 275 | P | D | -2.3540 | |
| 276 | E | D | -2.9723 | |
| 277 | V | D | -1.9426 | |
| 278 | K | D | -2.2609 | |
| 279 | F | D | -1.4060 | |
| 280 | N | D | -1.1647 | |
| 281 | W | D | 0.0000 | |
| 282 | Y | D | -0.5908 | |
| 283 | V | D | -0.8624 | |
| 284 | D | D | -2.0818 | |
| 285 | G | D | -0.8711 | |
| 286 | V | D | 0.5999 | |
| 287 | E | D | -0.6356 | |
| 288 | V | D | -0.5467 | |
| 289 | H | D | -1.8636 | |
| 290 | N | D | -2.1697 | |
| 291 | A | D | -1.8892 | |
| 292 | K | D | -2.4026 | |
| 293 | T | D | -1.8280 | |
| 294 | K | D | -1.9278 | |
| 295 | P | D | -1.8904 | |
| 296 | R | D | -2.6278 | |
| 297 | E | D | -2.5997 | |
| 298 | E | D | -2.8582 | |
| 299 | Q | D | -1.5200 | |
| 300 | Y | D | -0.6162 | |
| 301 | N | D | -1.0208 | |
| 302 | S | D | -1.0280 | |
| 303 | T | D | 0.0000 | |
| 304 | Y | D | -1.7599 | |
| 305 | R | D | -1.5551 | |
| 306 | V | D | 0.0000 | |
| 307 | V | D | 0.0000 | |
| 308 | S | D | 0.0000 | |
| 309 | V | D | 0.0000 | |
| 310 | L | D | 0.0000 | |
| 311 | T | D | -0.7773 | |
| 312 | V | D | 0.0000 | |
| 313 | L | D | 0.4308 | |
| 314 | H | D | -0.3209 | |
| 315 | Q | D | -1.2261 | |
| 316 | D | D | -1.2708 | |
| 317 | W | D | 0.0000 | |
| 318 | L | D | -1.0451 | |
| 319 | N | D | -2.0906 | |
| 320 | G | D | -2.0855 | |
| 321 | K | D | -2.1751 | |
| 322 | E | D | -2.1087 | |
| 323 | Y | D | 0.0000 | |
| 324 | K | D | -1.5671 | |
| 325 | C | D | 0.0000 | |
| 326 | K | D | -1.4996 | |
| 327 | V | D | 0.0000 | |
| 328 | S | D | -1.4816 | |
| 329 | N | D | 0.0000 | |
| 330 | K | D | -2.5803 | |
| 331 | A | D | -1.4026 | |
| 332 | L | D | -0.6398 | |
| 333 | P | D | -0.5155 | |
| 334 | A | D | -0.4312 | |
| 335 | P | D | -0.8926 | |
| 336 | I | D | -0.6271 | |
| 337 | E | D | -2.0338 | |
| 338 | K | D | -1.3017 | |
| 339 | T | D | -1.2247 | |
| 340 | I | D | 0.0000 | |
| 341 | S | D | -1.2898 | |
| 342 | K | D | -1.1571 | |
| 343 | A | D | -1.3393 | |
| 344 | K | D | -2.3579 | |
| 345 | G | D | -2.1356 | |
| 346 | Q | D | -2.0720 | |
| 347 | P | D | -1.7046 | |
| 348 | R | D | -2.0502 | |
| 349 | E | D | -2.5664 | |
| 350 | P | D | 0.0000 | |
| 351 | Q | D | -1.3167 | |
| 352 | V | D | 0.0000 | |
| 353 | Y | D | 0.0000 | |
| 354 | T | D | -0.7982 | |
| 355 | L | D | 0.0000 | |
| 356 | P | D | -0.3809 | |
| 357 | P | D | -0.8296 | |
| 358 | S | D | 0.0000 | |
| 359 | R | D | -2.6004 | |
| 360 | E | D | -2.6632 | |
| 361 | E | D | 0.0000 | |
| 362 | M | D | -1.8279 | |
| 363 | T | D | -1.5856 | |
| 364 | K | D | -2.1015 | |
| 365 | N | D | -2.3830 | |
| 366 | Q | D | -2.1264 | |
| 367 | V | D | 0.0000 | |
| 368 | S | D | 0.0000 | |
| 369 | L | D | 0.0000 | |
| 370 | T | D | 0.0000 | |
| 371 | C | D | 0.0000 | |
| 372 | L | D | 0.0000 | |
| 373 | V | D | 0.0000 | |
| 374 | K | D | -0.6864 | |
| 375 | G | D | -1.2046 | |
| 376 | F | D | 0.0000 | |
| 377 | Y | D | 0.0000 | |
| 378 | P | D | 0.0000 | |
| 379 | S | D | -0.7215 | |
| 380 | D | D | -1.3740 | |
| 381 | I | D | -0.4814 | |
| 382 | A | D | -0.3237 | |
| 383 | V | D | 0.0000 | |
| 384 | E | D | -1.2443 | |
| 385 | W | D | 0.0000 | |
| 386 | E | D | -1.7120 | |
| 387 | S | D | 0.0000 | |
| 388 | N | D | -1.7995 | |
| 389 | G | D | -1.7234 | |
| 390 | Q | D | -2.2295 | |
| 391 | P | D | -1.8307 | |
| 392 | E | D | 0.0000 | |
| 393 | N | D | -2.2512 | |
| 394 | N | D | -1.3749 | |
| 395 | Y | D | -1.0311 | |
| 396 | K | D | -1.1312 | |
| 397 | T | D | -0.5071 | |
| 398 | T | D | 0.0000 | |
| 399 | P | D | -0.0921 | |
| 400 | P | D | -0.1368 | |
| 401 | V | D | 0.1379 | |
| 402 | L | D | -0.1998 | |
| 403 | D | D | -0.8962 | |
| 404 | S | D | -1.3114 | |
| 405 | D | D | -2.2366 | |
| 406 | G | D | -1.4616 | |
| 407 | S | D | 0.0000 | |
| 408 | F | D | 0.0000 | |
| 409 | F | D | 0.0000 | |
| 410 | L | D | 0.0000 | |
| 411 | Y | D | 0.0000 | |
| 412 | S | D | 0.0000 | |
| 413 | K | D | 0.0000 | |
| 414 | L | D | 0.0000 | |
| 415 | T | D | -0.8471 | |
| 416 | V | D | 0.0000 | |
| 417 | D | D | -2.2111 | |
| 418 | K | D | -2.3963 | |
| 419 | S | D | -2.0987 | |
| 420 | R | D | -1.8402 | |
| 421 | W | D | 0.0000 | |
| 422 | Q | D | -2.2907 | |
| 423 | Q | D | -2.0536 | |
| 424 | G | D | -1.1153 | |
| 425 | N | D | -0.7211 | |
| 426 | V | D | 0.2820 | |
| 427 | F | D | 0.0000 | |
| 428 | S | D | 0.0000 | |
| 429 | C | D | 0.0000 | |
| 430 | S | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | M | D | 0.0000 | |
| 433 | H | D | 0.0000 | |
| 434 | E | D | -1.1493 | |
| 435 | A | D | -1.5010 | |
| 436 | L | D | 0.0000 | |
| 437 | H | D | -1.8061 | |
| 438 | N | D | -1.3802 | |
| 439 | H | D | -0.8844 | |
| 440 | Y | D | -0.4822 | |
| 441 | T | D | -0.8844 | |
| 442 | Q | D | -1.3874 | |
| 443 | K | D | -1.1798 | |
| 444 | S | D | -0.5430 | |
| 445 | L | D | 0.0000 | |
| 446 | S | D | -0.0741 | |
| 447 | L | D | -0.2846 | |
| 448 | S | D | -0.5629 | |
| 449 | P | D | -1.0790 | |
| 450 | G | D | -1.4181 | |
| 451 | K | D | -2.0275 |
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 | -0.5904 | 3.3478 | View | CSV | PDB |
| 4.5 | -0.6307 | 3.3052 | View | CSV | PDB |
| 5.0 | -0.6788 | 3.2495 | View | CSV | PDB |
| 5.5 | -0.7243 | 3.19 | View | CSV | PDB |
| 6.0 | -0.7553 | 3.136 | View | CSV | PDB |
| 6.5 | -0.7623 | 3.0965 | View | CSV | PDB |
| 7.0 | -0.7452 | 3.075 | View | CSV | PDB |
| 7.5 | -0.7123 | 3.0662 | View | CSV | PDB |
| 8.0 | -0.6713 | 3.0631 | View | CSV | PDB |
| 8.5 | -0.6253 | 3.0621 | View | CSV | PDB |
| 9.0 | -0.575 | 3.0618 | 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