| 1 | M | 48.3 | Very low | 54.1 | Low | 251 Ų | 251 | 141.7 Ų | 141.7 | 100% | 1.236 | 84% | 0.84 | S | S | * | * | | | | 0 | 130.9 | 0 | -75.2 | 156.4 | 74.6 | 0 | 0 | 107.7 | | |
| 2 | K | 45.3 | Very low | 54.1 | Low | 199 Ų | 199 | 136.6 Ų | 136.6 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | | | trans | -75.9 | 147.6 | -168.5 | -80.7 | 160.1 | 165.4 | 171.6 | 0 | 112.5 | | |
| 3 | G | 58 | Low | 53.7 | Low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 84% | 0.84 | S | S | * | * | | | trans | -162.1 | 109.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 4 | H | 57 | Low | 53.7 | Low | 156 Ų | 156 | 135.4 Ų | 135.4 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | | | trans | -105.5 | 146.7 | -165.6 | -94.6 | -101.3 | 0 | 0 | 0 | 112.2 | | |
| 5 | S | 50.4 | Low | 53.4 | Low | 97 Ų | 97 | 137.1 Ų | 137.1 | 68% | 0.678 | 84% | 0.838 | S | S | * | * | | | trans | 62.4 | 122.9 | 138.4 | -43.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 6 | S | 50 | Low | 53.5 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | | | | 160.8 | 116.9 | 93 | 49.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 7 | S | 48.2 | Very low | 53.1 | Low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | | | trans | -102.6 | 132.2 | 162 | 58.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 8 | T | 59.4 | Low | 52.7 | Low | 132 Ų | 132 | 138.3 Ų | 138.3 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | | | trans | -120 | 116.3 | 176.7 | -55 | 0 | 0 | 0 | 0 | 107.4 | | |
| 9 | L | 62.7 | Low | 52.5 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | | | trans | -111.6 | 138.1 | 167.5 | -77.4 | 166.8 | 0 | 0 | 0 | 107.9 | | |
| 10 | P | 65.5 | Low | 52.2 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | -82.2 | 145.2 | 172.7 | 32.1 | -30.8 | 0 | 0 | 0 | 111.5 | | |
| 11 | P | 50.6 | Low | 51.7 | Low | 132 Ų | 132 | 135.8 Ų | 135.8 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | | | trans | -94 | 142.4 | 176.6 | 36 | -29.4 | 0 | 0 | 0 | 111.1 | | |
| 12 | G | 54.1 | Low | 51.5 | Low | 80 Ų | 80 | 130.9 Ų | 130.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 178.6 | 48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 13 | S | 48.2 | Very low | 51.5 | Low | 122 Ų | 122 | 126.7 Ų | 126.7 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -125.6 | 104.8 | 167.2 | -58.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 14 | V | 54.4 | Low | 51 | Low | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -134 | 115.7 | 162.2 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | I16 | V14-I16 HydrophobicContact CG1-CD1 4.13Å; V14-I16 HydrophobicContact CG1-CG1 4.04Å |
| 15 | L | 48.7 | Very low | 50.3 | Low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -109.8 | 109.8 | -177.9 | -165.4 | 160.3 | 0 | 0 | 0 | 105 | | |
| 16 | I | 54.8 | Low | 50 | Low | 156 Ų | 156 | 130.5 Ų | 130.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -141.2 | 118.1 | 169.8 | -58 | -177.9 | 0 | 0 | 0 | 108.9 | V14 | V14-I16 HydrophobicContact CG1-CD1 4.13Å; V14-I16 HydrophobicContact CG1-CG1 4.04Å |
| 17 | Q | 47.7 | Very low | 49.8 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | trans | -108.9 | 151.4 | 174.4 | -176.3 | 175.5 | 1.4 | 0 | 0 | 109.2 | | |
| 18 | S | 45 | Very low | 49.6 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | 110.2 | 95.6 | 154.7 | -38.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 19 | G | 50.3 | Low | 48.9 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | | 48.6 | 117.8 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 20 | Q | 45.3 | Very low | 47.9 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | | | | -167.1 | 140.8 | 120.4 | -103.9 | -161.2 | 9.8 | 0 | 0 | 111.1 | | |
| 21 | A | 42.5 | Very low | 46.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | | | trans | -94.8 | 133.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 22 | I | 44.6 | Very low | 46.5 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | -137.1 | 113.1 | 161.3 | -72.3 | 178 | 0 | 0 | 0 | 108.5 | | |
| 23 | S | 45.1 | Very low | 46 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -74.9 | 133.5 | 162.2 | -58.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 24 | Q | 45.8 | Very low | 45.6 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -166.9 | 105.1 | 148.6 | -109.7 | 166.4 | 79 | 0 | 0 | 112.8 | | |
| 25 | T | 44 | Very low | 44.9 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | | | | 46 | 115.3 | 129.5 | 71.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 26 | S | 44.3 | Very low | 44.8 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | | 56 | 109 | 125.2 | -49.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 27 | G | 45.1 | Very low | 44.4 | Very low | 81 Ų | 81 | 131.4 Ų | 131.4 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -148.7 | 103 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 28 | M | 44.3 | Very low | 44.2 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 98% | 0.98 | 81% | 0.807 | S | S | * | * | | | trans | -69.6 | 133.8 | 169 | -75.2 | 176.7 | 152.5 | 0 | 0 | 110.4 | | |
| 29 | A | 43.9 | Very low | 44.1 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -159.4 | 113.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 30 | A | 42.1 | Very low | 44.1 | Very low | 102 Ų | 102 | 129.3 Ų | 129.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -84.3 | 127.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 31 | L | 44.5 | Very low | 44.1 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -141.4 | 105.7 | 160 | -72.2 | 174.5 | 0 | 0 | 0 | 105.7 | | |
| 32 | Q | 42.9 | Very low | 44.1 | Very low | 168 Ų | 168 | 131.3 Ų | 131.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | | 76.1 | 101.8 | 88.3 | -163.9 | 168.9 | 72 | 0 | 0 | 112.4 | | |
| 33 | T | 41.7 | Very low | 44.2 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 38 | 116.9 | 146 | 65.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 34 | N | 40.5 | Very low | 44.2 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -143.4 | 105.9 | 142.5 | -119.8 | 9.6 | 0 | 0 | 0 | 110 | | |
| 35 | S | 40.5 | Very low | 44.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 114 | 162.1 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 36 | V | 46.4 | Very low | 43.8 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -134 | 139.3 | 164 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 37 | T | 45.3 | Very low | 44.4 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -71.6 | 167.8 | -167.7 | -159.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 38 | S | 43.8 | Very low | 45 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | 76.9 | 111.5 | 156.6 | 68.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 39 | G | 42.3 | Very low | 45 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | -172 | 114.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 40 | P | 51.2 | Low | 45.5 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | trans | -72.5 | 136.8 | -173.4 | 29.4 | -32.2 | 0 | 0 | 0 | 110.7 | | |
| 41 | Q | 45.1 | Very low | 46 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -70.2 | 128.1 | 173.8 | -56.9 | -158.1 | 14.3 | 0 | 0 | 110.2 | | |
| 42 | N | 41.9 | Very low | 46.3 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | | | trans | -131.3 | 76.7 | 161.3 | -151.6 | -78 | 0 | 0 | 0 | 107.7 | | |
| 43 | L | 48 | Very low | 46.2 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | | | trans | -119.1 | 89.9 | 165.1 | -80.2 | 168.9 | 0 | 0 | 0 | 106.3 | V45 | L43-V45 PolarHBondContact O-N 3.16Å; L43-V45 VanDerWaalsContact O-N 3.16Å |
| 44 | Q | 45.7 | Very low | 46.4 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | | | trans | -82.1 | 89.2 | 173.8 | -168.8 | 164.7 | -49.3 | 0 | 0 | 108.6 | W46 | Q44-W46 PolarHBondContact O-N 3.18Š|
| 45 | V | 44 | Very low | 46.5 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | | | trans | -70.2 | 112.5 | 164.6 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | L43 T47 | L43-V45 PolarHBondContact O-N 3.16Å; L43-V45 VanDerWaalsContact O-N 3.16Å; V45-T47 HydrophobicContact CG1-CG2 4.37Å; V45-T47 PolarHBondContact O-N 3.39Å |
| 46 | W | 37.3 | Very low | 46.9 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 111.7 | 173.2 | -86 | 57.7 | 0 | 0 | 0 | 109.3 | Q44 | Q44-W46 PolarHBondContact O-N 3.18Š|
| 47 | T | 56.6 | Low | 46.8 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | | | trans | -106.1 | 133.8 | 163.3 | 59.3 | 0 | 0 | 0 | 0 | 108.3 | V45 S49 | V45-T47 HydrophobicContact CG1-CG2 4.37Å; V45-T47 PolarHBondContact O-N 3.39Å; T47-S49 PolarHBondContact O-N 3.22Å |
| 48 | P | 57.4 | Low | 46.9 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 122.8 | 174 | 27.9 | -28.8 | 0 | 0 | 0 | 108.9 | | |
| 49 | S | 44.1 | Very low | 47.2 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69 | 143.7 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | T47 | T47-S49 PolarHBondContact O-N 3.22Š|
| 50 | P | 55.2 | Low | 47.5 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 128.7 | 177.7 | 28.7 | -32.3 | 0 | 0 | 0 | 112.1 | G52 | P50-G52 PolarHBondContact O-N 3.31Š|
| 51 | S | 52.3 | Low | 47.2 | Very low | 134 Ų | 134 | 131 Ų | 131 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | | | trans | -69.2 | 103.1 | 172.7 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 52 | G | 49.7 | Very low | 47.2 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -94.7 | 128 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | P50 | P50-G52 PolarHBondContact O-N 3.31Š|
| 53 | A | 41.1 | Very low | 47.3 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -69.6 | 126.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 54 | I | 45.3 | Very low | 47.1 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | trans | -97.5 | 108.2 | 168.3 | -59.1 | 177.9 | 0 | 0 | 0 | 107.7 | V56 | I54-V56 HydrophobicContact CG2-CG2 4.16Š|
| 55 | T | 44.1 | Very low | 46.9 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -79.9 | 119.7 | 166.1 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 56 | V | 47.8 | Very low | 47.1 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -101.6 | 109.7 | 167 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | I54 | I54-V56 HydrophobicContact CG2-CG2 4.16Š|
| 57 | S | 45 | Very low | 47.3 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -71.3 | 145.2 | 171.6 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 58 | G | 47.4 | Very low | 46.8 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 129.8 | 82.7 | 147 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 59 | I | 50.4 | Low | 46.1 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 86% | 0.862 | 81% | 0.805 | S | S | * | * | | | trans | -149.9 | 131.5 | 140.6 | -43 | 177 | 0 | 0 | 0 | 107.1 | | |
| 60 | P | 48.7 | Very low | 46.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | | | trans | -79.9 | 161.1 | -158.3 | 30.8 | -37.2 | 0 | 0 | 0 | 115.7 | | |
| 61 | S | 43.8 | Very low | 46.3 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -49.8 | 140 | 174.9 | -46.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 62 | S | 45.8 | Very low | 46.9 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -123.1 | 142.4 | 147.8 | -164.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 63 | R | 44 | Very low | 47.3 | Very low | 231 Ų | 231 | 131 Ų | 131 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -76.6 | 150.5 | -156.9 | -63.9 | 157.5 | 90.1 | -171.8 | 6.9 | 111.9 | | |
| 64 | S | 43.6 | Very low | 47.7 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | 30.1 | 115.2 | 132.2 | 180 | 0 | 0 | 0 | 0 | 116.8 | | |
| 65 | S | 42.2 | Very low | 47.8 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | | -174.8 | 138.5 | 115.8 | -75.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 66 | A | 46.9 | Very low | 47.8 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | | | trans | -57.4 | 154.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 67 | N | 42.7 | Very low | 47.6 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | 29.6 | 94.3 | 149 | -61.5 | -42.9 | 0 | 0 | 0 | 115.9 | | |
| 68 | L | 46.1 | Very low | 47.5 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -167.5 | 135.8 | 140.8 | -121.4 | 90.8 | 0 | 0 | 0 | 110.2 | | |
| 69 | V | 42.4 | Very low | 47.1 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | | | trans | -61.1 | 136.7 | 172.1 | 158.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 70 | T | 49.7 | Very low | 46.9 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -151.2 | 107.3 | 151.1 | -64.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 71 | L | 54 | Low | 46.6 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 141.7 | 172 | -73.2 | 161.7 | 0 | 0 | 0 | 109.4 | | |
| 72 | P | 65 | Low | 46.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.3 | 174.6 | 28 | -32.1 | 0 | 0 | 0 | 110.9 | | |
| 73 | S | 57.3 | Low | 46.2 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -59.4 | 129.9 | 171.7 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 74 | G | 48.9 | Very low | 46 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 107 | 72.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 75 | Q | 47.5 | Very low | 45.5 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -163.8 | 129.7 | 135.9 | -86 | -119.1 | 10.7 | 0 | 0 | 108.5 | V77 | Q75-V77 PolarHBondContact O-N 3.41Š|
| 76 | T | 45.8 | Very low | 45.3 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -61 | 122.9 | -179.6 | 41.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 77 | V | 43.5 | Very low | 44.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 70% | 0.703 | 79% | 0.789 | S | S | * | * | | | trans | -81.5 | 117.1 | 167.4 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | Q75 M79 | Q75-V77 PolarHBondContact O-N 3.41Å; V77-M79 VanDerWaalsContact C-N 3.32Å; V77-M79 HydrophobicContact CG1-CG 3.74Å; V77-M79 HydrophobicContact CG1-SD 4.05Å; V77-M79 PolarHBondContact O-N 3.4Å; V77-M79 VanDerWaalsContact O-N 3.11Å |
| 78 | L | 42.9 | Very low | 44.8 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -73.8 | 92.3 | 159 | -84.1 | 163.2 | 0 | 0 | 0 | 107.5 | A80 | L78-A80 PolarHBondContact O-N 3.26Š|
| 79 | M | 37.2 | Very low | 44.6 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | -79 | 106.7 | 161 | -71.1 | -72.7 | -83.5 | 0 | 0 | 106.9 | V77 L82 | V77-M79 VanDerWaalsContact C-N 3.32Å; V77-M79 HydrophobicContact CG1-CG 3.74Å; V77-M79 HydrophobicContact CG1-SD 4.05Å; V77-M79 PolarHBondContact O-N 3.4Å; V77-M79 VanDerWaalsContact O-N 3.11Å; M79-L82 HydrophobicContact CE-CD1 4.09Å |
| 80 | A | 47.6 | Very low | 44.3 | Very low | 86 Ų | 86 | 125.9 Ų | 125.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -115.7 | 116.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L78 | L78-A80 PolarHBondContact O-N 3.26Š|
| 81 | N | 41.8 | Very low | 44 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | 70 | 84.5 | 164.3 | -59.9 | -13.9 | 0 | 0 | 0 | 117.5 | V83 | N81-V83 PolarHBondContact O-N 3.16Š|
| 82 | L | 39.6 | Very low | 43.3 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | -52.8 | 116.7 | 131 | -88 | 76.7 | 0 | 0 | 0 | 108.3 | M79 | M79-L82 HydrophobicContact CE-CD1 4.09Š|
| 83 | V | 40.8 | Very low | 42.1 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -103.5 | 111.8 | 141.3 | 73.7 | 0 | 0 | 0 | 0 | 106.8 | N81 | N81-V83 PolarHBondContact O-N 3.16Š|
| 84 | T | 40 | Very low | 41.4 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 77% | 0.773 | S | S | . | * | | | trans | -87.5 | 147.7 | 175.5 | -79.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 85 | T | 34.5 | Very low | 41 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | 61.4 | 114.8 | 161.7 | 54.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 86 | A | 37.7 | Very low | 40.7 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | | -175.1 | 101.6 | 119.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T88 | A86-T88 HydrophobicContact CB-CG2 3.96Š|
| 87 | T | 37.7 | Very low | 40.3 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 93% | 0.926 | 78% | 0.777 | S | S | * | * | | | trans | -72.5 | 113.1 | 148.9 | -162.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 88 | T | 40.2 | Very low | 40.3 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -138 | 109.2 | 176.4 | 50 | 0 | 0 | 0 | 0 | 110.1 | A86 | A86-T88 HydrophobicContact CB-CG2 3.96Š|
| 89 | A | 42.1 | Very low | 40.3 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | 9.8 | 134 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 90 | S | 37 | Very low | 40.5 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -35.8 | 125.8 | 151.2 | 47 | 0 | 0 | 0 | 0 | 114 | | |
| 91 | I | 43.1 | Very low | 40.2 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -109.3 | 111.6 | 164.5 | -66.3 | 174.7 | 0 | 0 | 0 | 107.7 | | |
| 92 | S | 38.2 | Very low | 40.3 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 132.8 | 172.4 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 93 | L | 41.5 | Very low | 40.3 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 135.9 | 164.5 | -74.7 | 102 | 0 | 0 | 0 | 110.2 | | |
| 94 | P | 42.9 | Very low | 40.2 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 131.6 | 174.8 | 32.4 | -30.7 | 0 | 0 | 0 | 111.3 | | |
| 95 | T | 39 | Very low | 40.3 | Very low | 143 Ų | 143 | 133.8 Ų | 133.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -103.7 | 113.6 | 162.4 | 60.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 96 | S | 42.5 | Very low | 40.8 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -90.3 | 126.7 | 171.8 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 97 | S | 37 | Very low | 41.2 | Very low | 109 Ų | 109 | 135 Ų | 135 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | -72.2 | 149.8 | 175.8 | 75.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 98 | V | 43.5 | Very low | 41.5 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -145.9 | 122.9 | 144.9 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 99 | A | 41.8 | Very low | 41.9 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | 46.2 | 118 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 100 | K | 42 | Very low | 42.7 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | | 68.7 | 108.7 | 75.1 | -92.8 | -172.8 | 174.8 | 178 | 0 | 115.6 | | |
| 101 | Q | 41.8 | Very low | 43.4 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | | | trans | 174.6 | 103.8 | 134.9 | -95.6 | 169.7 | 59.1 | 0 | 0 | 107 | | |
| 102 | Q | 42.6 | Very low | 43.8 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | | 78.1 | 136.7 | 68.1 | -145.6 | -164.5 | -53.1 | 0 | 0 | 114.2 | | |
| 103 | I | 41.6 | Very low | 44.4 | Very low | 137 Ų | 137 | 131 Ų | 131 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | | | trans | 85 | 129.4 | 162.3 | -60.1 | 138.1 | 0 | 0 | 0 | 113.5 | | |
| 104 | Q | 37.2 | Very low | 44.9 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | cis | -178.2 | 134.8 | 8.6 | 172.5 | 86.2 | 8.3 | 0 | 0 | 108.4 | | |
| 105 | V | 41.8 | Very low | 45.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -93.4 | 167.2 | 161 | -119.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 106 | P | 45.5 | Very low | 45.5 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | cis | -159.8 | 174.5 | 40 | 38.5 | -12.5 | 0 | 0 | 0 | 119.5 | | |
| 107 | T | 46.7 | Very low | 45.5 | Very low | 139 Ų | 139 | 132 Ų | 132 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | 59.9 | 130.6 | 136.1 | 52.8 | 0 | 0 | 0 | 0 | 125 | | |
| 108 | G | 44.6 | Very low | 45.6 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | trans | -176.3 | 94 | 153.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 109 | L | 47.3 | Very low | 45.4 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -71.1 | 173.7 | 161.9 | -79.2 | 151.9 | 0 | 0 | 0 | 110.5 | | |
| 110 | P | 58.3 | Low | 45.7 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | cis | -148.1 | -172.8 | 29.4 | 38.2 | -12.6 | 0 | 0 | 0 | 117 | | |
| 111 | P | 53.3 | Low | 45.6 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -117.6 | 176.8 | -162.1 | 42 | -29.5 | 0 | 0 | 0 | 116.4 | | |
| 112 | G | 50.8 | Low | 45.6 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 172.5 | 143.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 113 | G | 51.5 | Low | 45.6 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | | | cis | -178.1 | 161.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 114 | P | 50.8 | Low | 45.5 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -100.3 | 164.8 | -154 | 37.6 | -33.3 | 0 | 0 | 0 | 115.2 | | |
| 115 | I | 47.8 | Very low | 45.7 | Very low | 168 Ų | 168 | 119 Ų | 119 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | -123.3 | 127.5 | 157.5 | -63.8 | 179.2 | 0 | 0 | 0 | 109.3 | | |
| 116 | V | 46.5 | Very low | 45.5 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | | | trans | -87.1 | 134.6 | -179.9 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 117 | I | 43.5 | Very low | 44.9 | Very low | 168 Ų | 168 | 121 Ų | 121 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | | | trans | -137.9 | 108.5 | 145.3 | -58.4 | -176.2 | 0 | 0 | 0 | 108.4 | | |
| 118 | S | 39.2 | Very low | 44.5 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 57% | 0.573 | 80% | 0.796 | S | S | * | * | | | trans | -60.1 | 164.2 | 167.9 | -19.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 119 | N | 38.3 | Very low | 44.1 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -177.8 | -179.7 | 41 | -133.4 | 35.7 | 0 | 0 | 0 | 106.9 | | |
| 120 | P | 49.2 | Very low | 43.6 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 60% | 0.604 | 80% | 0.795 | S | S | * | * | | | trans | -123.2 | 175.5 | -130.8 | 20.4 | 7.7 | 0 | 0 | 0 | 111.9 | | |
| 121 | N | 39.1 | Very low | 43 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | | -162.8 | 137.5 | 123.1 | -124.4 | 1.7 | 0 | 0 | 0 | 112 | | |
| 122 | S | 42.4 | Very low | 42 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -106.6 | 149.3 | -168 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 123 | A | 43 | Very low | 41.7 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | 161 | 115.8 | 144 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 124 | G | 38.4 | Very low | 41.6 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | cis | 116 | 111.4 | 37.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 125 | P | 41.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -96.1 | 155.9 | -173.3 | 35.9 | -30.8 | 0 | 0 | 0 | 113.2 | | |
| 126 | L | 38.4 | Very low | 40.6 | Very low | 170 Ų | 170 | 131 Ų | 131 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -112.7 | 128 | 173.8 | -165.4 | 79.6 | 0 | 0 | 0 | 109.8 | | |
| 127 | A | 33 | Very low | 40 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -113.1 | 135.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 128 | T | 37.7 | Very low | 40.1 | Very low | 128 Ų | 128 | 129 Ų | 129 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 179.8 | 143.2 | 163.2 | 30 | 0 | 0 | 0 | 0 | 105.6 | | |
| 129 | Q | 37.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | cis | -169.6 | 145.7 | -1 | -175.7 | -157.7 | 79.9 | 0 | 0 | 104.2 | | |
| 130 | L | 35.4 | Very low | 41 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -65.9 | 144.8 | 177.6 | -74.5 | 150.9 | 0 | 0 | 0 | 112.7 | | |
| 131 | T | 45.9 | Very low | 40.9 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -138.1 | 127 | 166.6 | -32 | 0 | 0 | 0 | 0 | 110 | | |
| 132 | N | 33.4 | Very low | 41.2 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.3 | -179.3 | -90.3 | -15.3 | 0 | 0 | 0 | 113.4 | | |
| 133 | P | 44.3 | Very low | 40.9 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 137.3 | 164.3 | 33.2 | -29.2 | 0 | 0 | 0 | 112.7 | | |
| 134 | T | 47.9 | Very low | 40.8 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 136.4 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 113.9 | I136 | T134-I136 HydrophobicContact CG2-CG1 4.32Š|
| 135 | V | 37 | Very low | 41 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 121.3 | 168.2 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 136 | I | 40.8 | Very low | 40.9 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 122.8 | 172.7 | -61.6 | 177.1 | 0 | 0 | 0 | 108.9 | T134 | T134-I136 HydrophobicContact CG2-CG1 4.32Š|
| 137 | Q | 35.5 | Very low | 40.9 | Very low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -91.1 | 108.1 | -173.6 | -171.5 | 163.9 | -17.7 | 0 | 0 | 110.3 | | |
| 138 | G | 44.1 | Very low | 41.6 | Very low | 47 Ų | 47 | 137 Ų | 137 | 49% | 0.485 | 80% | 0.803 | S | S | . | * | | | trans | -85.3 | 153.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N140 | G138-N140 PolarHBondContact O-N 2.94Š|
| 139 | P | 51.9 | Low | 41.7 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -68.2 | 9.4 | -170.8 | 24.4 | -32.1 | 0 | 0 | 0 | 116.6 | | |
| 140 | N | 45.4 | Very low | 41.8 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -136.6 | 70.8 | 177.4 | -70.8 | -32.2 | 0 | 0 | 0 | 111.6 | G138 | G138-N140 PolarHBondContact O-N 2.94Š|
| 141 | G | 47.1 | Very low | 41.9 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 67.7 | 160.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | M143 | G141-M143 PolarHBondContact O-N 3Š|
| 142 | Q | 44.2 | Very low | 41.6 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | | | trans | -78.6 | 112.7 | -171.8 | -56.6 | 173.7 | 0.3 | 0 | 0 | 110.2 | | |
| 143 | M | 37.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | | | trans | -100.6 | 96.7 | 160 | -82.3 | -166.2 | -70.1 | 0 | 0 | 108.7 | G141 V145 | G141-M143 PolarHBondContact O-N 3Å; M143-V145 PolarHBondContact O-N 3.26Å |
| 144 | S | 40 | Very low | 41.4 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -75.6 | 111 | 162.7 | -80.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 145 | V | 42.9 | Very low | 40.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -104.5 | 105.9 | 162.4 | -71.1 | 0 | 0 | 0 | 0 | 107.9 | M143 L147 | M143-V145 PolarHBondContact O-N 3.26Å; V145-L147 PolarHBondContact O-N 3.4Å |
| 146 | A | 38.8 | Very low | 41 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | -74.1 | 114.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 147 | L | 40.1 | Very low | 40.8 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -100.9 | 119.7 | 168 | -80.7 | 158.8 | 0 | 0 | 0 | 108.5 | V145 | V145-L147 PolarHBondContact O-N 3.4Š|
| 148 | P | 46.7 | Very low | 40.9 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -83.7 | 110.4 | 167.3 | -0.6 | 18.3 | 0 | 0 | 0 | 110.1 | | |
| 149 | G | 39.3 | Very low | 40.4 | Very low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 67.8 | 133.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 150 | G | 39.6 | Very low | 39.7 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | cis | 145.3 | 115.3 | 16 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 151 | I | 37.8 | Very low | 39.2 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | 54.4 | 104.5 | 153 | 49.5 | 171.5 | 0 | 0 | 0 | 119.3 | | |
| 152 | I | 39.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | | | | -139.8 | 122.7 | 129.8 | 36.1 | 174.8 | 0 | 0 | 0 | 109.9 | | |
| 153 | S | 39.3 | Very low | 38 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -66.7 | 131.3 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 154 | S | 34 | Very low | 38.1 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -88.6 | 106.4 | 161.4 | 6.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 155 | N | 37.4 | Very low | 37.8 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | -125.1 | 113.6 | 159.7 | -95.1 | -4.8 | 0 | 0 | 0 | 107.9 | | |
| 156 | T | 39 | Very low | 37.6 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | | 52.3 | 104.4 | 128.9 | -39.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 157 | L | 38.1 | Very low | 37.6 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | | 18.9 | 140.6 | 122.3 | -69.8 | 156.6 | 0 | 0 | 0 | 117.7 | | |
| 158 | N | 36.6 | Very low | 37.1 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 85.9 | 138.4 | 174.2 | -49.7 | -30.9 | 0 | 0 | 0 | 112.1 | | |
| 159 | S | 33.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 55% | 0.545 | 79% | 0.794 | S | S | . | * | | | cis | 177 | 151.9 | -10.3 | -166.1 | 0 | 0 | 0 | 0 | 103.1 | | |
| 160 | F | 37.3 | Very low | 36.1 | Very low | 189 Ų | 189 | 131 Ų | 131 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | 71 | 113.6 | 167.4 | -49.4 | -67.9 | 0 | 0 | 0 | 115.8 | | |
| 161 | N | 34.6 | Very low | 36 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | | 76 | 145.6 | 89 | -159.4 | 9.9 | 0 | 0 | 0 | 112.3 | | |
| 162 | S | 36.5 | Very low | 35.9 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | 95.8 | 87.7 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 116 | | |
| 163 | S | 30.8 | Very low | 35.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -30.1 | 135.8 | 144.4 | 29.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 164 | S | 38 | Very low | 35.8 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -160.6 | 129.4 | 145.3 | -83.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 165 | T | 34.8 | Very low | 35.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -66.6 | 146.2 | 173 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 166 | A | 38.2 | Very low | 35.9 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -151.2 | 123.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 167 | F | 39 | Very low | 36 | Very low | 203 Ų | 203 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -68.5 | 148.2 | 177.8 | -70.4 | -97.7 | 0 | 0 | 0 | 112 | | |
| 168 | V | 30 | Very low | 36 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | | | trans | -86.6 | 129.3 | 164 | -72.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 169 | S | 32.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -151.9 | 135.4 | 150.2 | -118.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 170 | S | 31.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | | | trans | -53.5 | 147.1 | -179.3 | 41.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 171 | T | 38.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | | | trans | -161.3 | 127.9 | 138.5 | 6.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 172 | L | 36.5 | Very low | 36.7 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | | | trans | -99.3 | 138 | -179.7 | -176 | 73.5 | 0 | 0 | 0 | 108.4 | | |
| 173 | G | 37.1 | Very low | 36.6 | Very low | 55 Ų | 55 | 138.5 Ų | 138.5 | 57% | 0.567 | 82% | 0.818 | S | S | * | * | | | trans | 123.8 | 107.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 174 | N | 37.7 | Very low | 36.8 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 90% | 0.904 | 82% | 0.815 | S | S | * | * | | | | 167.2 | 134.6 | 99.8 | -82.7 | 3.6 | 0 | 0 | 0 | 110.5 | | |
| 175 | I | 37.3 | Very low | 36.4 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | trans | -111.4 | 138.8 | -177 | -4.9 | 171.1 | 0 | 0 | 0 | 108 | | |
| 176 | S | 36.2 | Very low | 36.4 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -155.6 | 104.2 | 153.4 | -94.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 177 | T | 42.5 | Very low | 36.2 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | 2.5 | 137.4 | 136.7 | 5.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 178 | D | 37.3 | Very low | 36 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | | | | -162.3 | 149.3 | 110.7 | -138.5 | -46 | 0 | 0 | 0 | 113.6 | | |
| 179 | Q | 39.3 | Very low | 36.2 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | 85.5 | 125.8 | 164.2 | -64 | -73.5 | 9.2 | 0 | 0 | 122.6 | | |
| 180 | P | 40.4 | Very low | 36.6 | Very low | 102 Ų | 102 | 142 Ų | 142 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | trans | -113.1 | 157.6 | -162.7 | 42.3 | -30.9 | 0 | 0 | 0 | 114.8 | | |
| 181 | V | 40.6 | Very low | 37 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | -139.8 | 128.3 | 151.5 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 182 | H | 37.4 | Very low | 36.9 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 82% | 0.819 | 80% | 0.8 | S | S | * | * | | | trans | -38.5 | 136.1 | 174.5 | -95.5 | -121.1 | 0 | 0 | 0 | 115.5 | | |
| 183 | I | 34.4 | Very low | 36.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | | 175.9 | 119.2 | 119.2 | -81.5 | 147.8 | 0 | 0 | 0 | 109.1 | | |
| 184 | A | 34.7 | Very low | 36.9 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | 30 | 100.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 185 | Q | 29.5 | Very low | 36.7 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | | 54.5 | 99.3 | 75.9 | -64.2 | -170.5 | -87.5 | 0 | 0 | 115.6 | | |
| 186 | I | 35 | Very low | 36.6 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | | | | -143.5 | 121.1 | 115.9 | -80.8 | 157 | 0 | 0 | 0 | 105.7 | | |
| 187 | V | 33.3 | Very low | 36.5 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -111.3 | 131.3 | 170.1 | 167.8 | 0 | 0 | 0 | 0 | 105 | | |
| 188 | D | 35.7 | Very low | 36.2 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -166.7 | 125 | 134.6 | -98.5 | -44.7 | 0 | 0 | 0 | 109.8 | | |
| 189 | N | 34.2 | Very low | 36 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -112.4 | 100.4 | -172.1 | 167.9 | 82.3 | 0 | 0 | 0 | 107.9 | | |
| 190 | H | 39.7 | Very low | 36 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | -151.2 | 112.8 | 165.3 | -67 | -66.9 | 0 | 0 | 0 | 112.8 | | |
| 191 | L | 39.8 | Very low | 35.6 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | 68.5 | 114.2 | 142.7 | -79 | 76.7 | 0 | 0 | 0 | 121.2 | | |
| 192 | R | 35.8 | Very low | 35.7 | Very low | 238 Ų | 238 | 139.5 Ų | 139.5 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | | 95.7 | 131.9 | 129.3 | -160.7 | 170.5 | 139.2 | 157.3 | -8 | 117.9 | | |
| 193 | P | 35.9 | Very low | 35.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -92.3 | 146.1 | -165.7 | 36.5 | -31.7 | 0 | 0 | 0 | 112.4 | | |
| 194 | G | 38 | Very low | 35.7 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | -177.9 | 120.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 195 | T | 34.5 | Very low | 36 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | | | trans | 83.6 | 81 | 161.7 | -16.9 | 0 | 0 | 0 | 0 | 116.8 | C197 | T195-C197 PolarHBondContact O-N 2.9Š|
| 196 | A | 34.9 | Very low | 36.2 | Very low | 84 Ų | 84 | 136 Ų | 136 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | | | trans | -80.9 | 105.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 197 | C | 34.3 | Very low | 36.6 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -81.4 | 110.3 | 166.3 | 42.8 | 0 | 0 | 0 | 0 | 108.8 | T195 T199 | T195-C197 PolarHBondContact O-N 2.9Å; C197-T199 PolarHBondContact O-N 3.34Å |
| 198 | F | 34.9 | Very low | 37.1 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -75.4 | 109.3 | 170 | -68.7 | -80 | 0 | 0 | 0 | 109.4 | T200 | F198-T200 PolarHBondContact O-N 2.95Š|
| 199 | T | 34.1 | Very low | 37.5 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -75.4 | 104.6 | 162.9 | -70.5 | 0 | 0 | 0 | 0 | 107.8 | C197 N201 | C197-T199 PolarHBondContact O-N 3.34Å; T199-N201 PolarHBondContact O-N 3.5Å |
| 200 | T | 39.6 | Very low | 38.2 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -85.4 | 100.1 | 167.9 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | F198 | F198-T200 PolarHBondContact O-N 2.95Š|
| 201 | N | 31.4 | Very low | 38.4 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -100.2 | 91.7 | 162.7 | -162 | 1 | 0 | 0 | 0 | 107.2 | T199 | T199-N201 PolarHBondContact O-N 3.5Š|
| 202 | A | 42.7 | Very low | 38.2 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | trans | -148.9 | 129.3 | 168 | 0 | 0 | 0 | 0 | 0 | 108.2 | F204 | A202-F204 PolarHBondContact O-N 3.26Š|
| 203 | G | 34.3 | Very low | 38.4 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -57.5 | 123.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q205 | G203-Q205 PolarHBondContact O-N 2.87Š|
| 204 | F | 38.3 | Very low | 38.4 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | | | trans | -75.2 | 101.4 | 166.5 | -83.6 | -90.4 | 0 | 0 | 0 | 109.6 | A202 | A202-F204 PolarHBondContact O-N 3.26Š|
| 205 | Q | 39.8 | Very low | 38.5 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -72.8 | 137.3 | 145.1 | -80 | -170.3 | 48.9 | 0 | 0 | 108.2 | G203 | G203-Q205 PolarHBondContact O-N 2.87Š|
| 206 | G | 34.9 | Very low | 38.4 | Very low | 77 Ų | 77 | 135.8 Ų | 135.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -64.3 | 134.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 207 | I | 42.4 | Very low | 38.7 | Very low | 160 Ų | 160 | 137 Ų | 137 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | | | trans | -111.8 | 107 | 158.9 | -54.8 | -177.9 | 0 | 0 | 0 | 106.1 | | |
| 208 | T | 43.7 | Very low | 39.1 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 126.2 | 165.2 | 22.9 | 0 | 0 | 0 | 0 | 109.6 | M210 | T208-M210 PolarHBondContact O-N 3.28Š|
| 209 | P | 45 | Very low | 39.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -76.7 | 104.4 | 165.1 | 29.3 | -28.6 | 0 | 0 | 0 | 108.8 | | |
| 210 | M | 47.6 | Very low | 39.3 | Very low | 144 Ų | 144 | 136.2 Ų | 136.2 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | | | trans | -77.4 | 121.5 | 157.8 | -100.9 | -72.1 | -176 | 0 | 0 | 107.4 | T208 V213 | T208-M210 PolarHBondContact O-N 3.28Å; M210-V213 HydrophobicContact SD-CG2 4.23Å |
| 211 | N | 43.7 | Very low | 39.1 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 174.9 | 90.2 | 141.2 | -88.3 | -8.3 | 0 | 0 | 0 | 109.8 | | |
| 212 | Q | 37.3 | Very low | 39.5 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -168.8 | 75.5 | 137.1 | -102 | -179.5 | 37.8 | 0 | 0 | 105.9 | | |
| 213 | V | 38 | Very low | 39.2 | Very low | 101 Ų | 101 | 138 Ų | 138 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | | | trans | -102.4 | 103.4 | 161.2 | 179.3 | 0 | 0 | 0 | 0 | 105.9 | M210 L215 | M210-V213 HydrophobicContact SD-CG2 4.23Å; V213-L215 PolarHBondContact O-N 3.46Å |
| 214 | L | 36.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | trans | -60 | 109.5 | 161.5 | 179.8 | 68.5 | 0 | 0 | 0 | 106.9 | D216 | L214-D216 PolarHBondContact O-N 3.08Š|
| 215 | L | 40 | Very low | 39.3 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -72 | 109.8 | 166.7 | -85.1 | 78.9 | 0 | 0 | 0 | 107.4 | V213 | V213-L215 PolarHBondContact O-N 3.46Š|
| 216 | D | 33.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -91.1 | 141.6 | 150.4 | 99 | 39.9 | 0 | 0 | 0 | 108.8 | L214 | L214-D216 PolarHBondContact O-N 3.08Š|
| 217 | S | 40.8 | Very low | 39.7 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | | | trans | -83.6 | 115.8 | -177.1 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 218 | T | 41.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -179.5 | 131.5 | 137.1 | 37.5 | 0 | 0 | 0 | 0 | 112 | | |
| 219 | G | 38.9 | Very low | 39.1 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | | | trans | 94 | 82.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 220 | F | 35.8 | Very low | 38.9 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -59.9 | 127.3 | 155.4 | -4.8 | -92.6 | 0 | 0 | 0 | 110.9 | | |
| 221 | N | 35.5 | Very low | 38.3 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | | | trans | -157.9 | 121.9 | 147.2 | -148.4 | -98.8 | 0 | 0 | 0 | 112.4 | | |
| 222 | L | 37.9 | Very low | 38.2 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -90.4 | 128.4 | 173.5 | -175.7 | 72.4 | 0 | 0 | 0 | 108.4 | | |
| 223 | G | 36.9 | Very low | 38.1 | Very low | 67 Ų | 67 | 144.3 Ų | 144.3 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | trans | -175.1 | 99.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 224 | N | 34.7 | Very low | 38 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -52.4 | 133.1 | 164 | -84.5 | 8.3 | 0 | 0 | 0 | 111.3 | | |
| 225 | A | 41 | Very low | 38.2 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -174.7 | 140.3 | 131.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 226 | Q | 40 | Very low | 38.2 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -36.8 | 131.8 | 169 | -59.3 | 162.6 | -82.8 | 0 | 0 | 113.2 | | |
| 227 | T | 42.9 | Very low | 38.8 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | | 174.5 | 155.9 | 117.4 | 24 | 0 | 0 | 0 | 0 | 111.2 | | |
| 228 | Q | 36 | Very low | 39.3 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | trans | -46.7 | 135.6 | -171.6 | -55.6 | -167.1 | 9.2 | 0 | 0 | 115 | | |
| 229 | N | 36.2 | Very low | 39.8 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -116.4 | 101.7 | 158.9 | -85.3 | -42.7 | 0 | 0 | 0 | 110.8 | | |
| 230 | K | 41.5 | Very low | 40.1 | Very low | 184 Ų | 184 | 150.8 Ų | 150.8 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | | | trans | -62.8 | 144.9 | 159.5 | -166.5 | -177.5 | -175.2 | -160 | 0 | 108.9 | I232 | K230-I232 PolarHBondContact O-N 3.46Š|
| 231 | L | 34.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | -43.6 | 129.7 | 177.8 | -80.3 | 96.1 | 0 | 0 | 0 | 113.2 | | |
| 232 | I | 41.3 | Very low | 40.8 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | | | trans | -128.5 | 107.8 | 153.8 | -52.6 | 176.1 | 0 | 0 | 0 | 107.7 | K230 M234 | K230-I232 PolarHBondContact O-N 3.46Å; I232-M234 HydrophobicContact CG2-CG 4.11Å; I232-M234 HydrophobicContact CG2-SD 4.39Å; I232-M234 PolarHBondContact O-N 2.73Å |
| 233 | N | 35.2 | Very low | 41.1 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | trans | -68.2 | 109.6 | 166.1 | -177 | 33.9 | 0 | 0 | 0 | 107.8 | | |
| 234 | M | 35.8 | Very low | 41.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | -102.8 | 101.9 | 174.1 | -76.7 | -75.9 | -80 | 0 | 0 | 109.3 | I232 | I232-M234 HydrophobicContact CG2-CG 4.11Å; I232-M234 HydrophobicContact CG2-SD 4.39Å; I232-M234 PolarHBondContact O-N 2.73Å |
| 235 | S | 41.9 | Very low | 42.4 | Very low | 90 Ų | 90 | 142.5 Ų | 142.5 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | | | trans | -56.4 | 128 | 162.6 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | I237 | S235-I237 PolarHBondContact O-N 2.93Š|
| 236 | S | 40.5 | Very low | 42.5 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -69.7 | 113.7 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 237 | I | 44.4 | Very low | 42.9 | Very low | 152 Ų | 152 | 144 Ų | 144 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 121 | 173.9 | -65.1 | 172.1 | 0 | 0 | 0 | 107.9 | S235 | S235-I237 PolarHBondContact O-N 2.93Š|
| 238 | R | 51.5 | Low | 43.3 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 135.1 | 168.3 | 176.3 | 179.1 | 176.1 | 176.9 | -0.1 | 109.4 | | |
| 239 | P | 53.5 | Low | 43.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 145.9 | 174.9 | 30.9 | -30.6 | 0 | 0 | 0 | 111.3 | | |
| 240 | P | 44 | Very low | 43.9 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 165.7 | -173 | 38.7 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 241 | G | 43.1 | Very low | 44.3 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 111.6 | 129.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 242 | L | 43.1 | Very low | 44.9 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | cis | -148 | 149.4 | 20.3 | -74 | 165 | 0 | 0 | 0 | 110.2 | | |
| 243 | V | 44.7 | Very low | 45.1 | Very low | 123 Ų | 123 | 135 Ų | 135 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -52.4 | 139.2 | 173.7 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 244 | S | 48.5 | Very low | 45.3 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -157 | 118.8 | 151.3 | -81.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 245 | S | 49.9 | Very low | 45.6 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | trans | -73 | 164.4 | 179.1 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 246 | P | 44.4 | Very low | 45.5 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -86.9 | 160.4 | -163.8 | 34.5 | -33.2 | 0 | 0 | 0 | 114.6 | | |
| 247 | M | 47.9 | Very low | 45.6 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | -26 | 138.4 | 174.7 | -67.7 | 177.5 | 82.4 | 0 | 0 | 117.9 | | |
| 248 | Q | 51 | Low | 45.4 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -147.4 | 135.7 | 133 | -157.4 | 162.9 | -22.3 | 0 | 0 | 109.6 | | |
| 249 | P | 40 | Very low | 45 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -93.8 | 160.1 | -168.8 | 36.7 | -32.4 | 0 | 0 | 0 | 112.2 | | |
| 250 | V | 45.4 | Very low | 44.5 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | | | trans | 176.2 | 110.8 | 141.9 | 156.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 251 | H | 49.8 | Very low | 44.5 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | trans | 50 | 154.4 | 134.5 | -59 | -73.2 | 0 | 0 | 0 | 124.9 | | |
| 252 | P | 46.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -109.5 | 167 | -142.8 | 41.2 | -32.3 | 0 | 0 | 0 | 115 | | |
| 253 | G | 44.9 | Very low | 45 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -161.2 | 129.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 254 | N | 40.4 | Very low | 44.9 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -84.6 | 161 | -163.9 | -65.4 | -8.2 | 0 | 0 | 0 | 115.8 | | |
| 255 | S | 41 | Very low | 44.5 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 70.3 | 146.5 | 149.7 | 80.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 256 | F | 40.9 | Very low | 44.2 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.772 | 79% | 0.792 | S | S | * | * | | | cis | -172.7 | 136 | 38.4 | -178.1 | -118.6 | 0 | 0 | 0 | 108.1 | | |
| 257 | V | 41.4 | Very low | 44.1 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 65% | 0.648 | 79% | 0.793 | S | S | * | * | | | trans | 36.8 | 158.4 | 149.6 | -47.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 258 | A | 41.5 | Very low | 44.3 | Very low | 89 Ų | 89 | 132 Ų | 132 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | cis | -167.8 | 173.2 | 30.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 259 | A | 42.2 | Very low | 43.6 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | 80.6 | 131.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 260 | G | 43.5 | Very low | 44 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 157.6 | 156.6 | 9.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 261 | N | 43.5 | Very low | 43.6 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | 96.5 | 95.9 | 178.2 | -62.9 | 14.3 | 0 | 0 | 0 | 114.9 | | |
| 262 | I | 47.1 | Very low | 43.6 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | 79.9 | 119.6 | 70.3 | -61.4 | 168 | 0 | 0 | 0 | 113.5 | | |
| 263 | P | 49.2 | Very low | 43.6 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -113.5 | 177.2 | -172.7 | 43 | -34 | 0 | 0 | 0 | 114.7 | | |
| 264 | R | 44.1 | Very low | 43.6 | Very low | 242 Ų | 242 | 132.2 Ų | 132.2 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | trans | 169.1 | 124.6 | 152.4 | -94.4 | 157.3 | -176.8 | 145.9 | 2.1 | 107.8 | | |
| 265 | G | 40.4 | Very low | 43.8 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | | 117 | 135.2 | 66.1 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 266 | L | 43.1 | Very low | 43.6 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | | | cis | -163.2 | 138.7 | 45.7 | -70.4 | 160.5 | 0 | 0 | 0 | 107.9 | | |
| 267 | S | 42.9 | Very low | 43.7 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -130.5 | 131.4 | 161.4 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 268 | V | 50.5 | Low | 43.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -96.9 | 130.9 | 176.7 | -79.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 269 | N | 37.8 | Very low | 43.9 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -120.3 | 136.9 | 177.4 | -172.4 | -15.1 | 0 | 0 | 0 | 107.7 | | |
| 270 | L | 48.5 | Very low | 43.9 | Very low | 175 Ų | 175 | 139 Ų | 139 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -110.5 | 110.8 | 160.7 | -88 | 84.3 | 0 | 0 | 0 | 108.1 | | |
| 271 | S | 37 | Very low | 43.6 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -90.7 | 150.1 | 171.4 | -75.5 | 0 | 0 | 0 | 0 | 112 | | |
| 272 | S | 48.6 | Very low | 43.6 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | 170.2 | 133.3 | 140.9 | 48 | 0 | 0 | 0 | 0 | 108 | | |
| 273 | D | 47.3 | Very low | 43.1 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | cis | -161.3 | 139.2 | 5 | -89.8 | -42.5 | 0 | 0 | 0 | 111.5 | | |
| 274 | I | 45.4 | Very low | 42.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | | | | 44.4 | 114.6 | 125.7 | -45.1 | 171.1 | 0 | 0 | 0 | 117.9 | | |
| 275 | T | 43.9 | Very low | 42.8 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | | | | -165.2 | 151.5 | 90.5 | 28.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 276 | N | 36.5 | Very low | 42.6 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -98.2 | 146.6 | -159.7 | 170.5 | 32.9 | 0 | 0 | 0 | 113.2 | | |
| 277 | S | 44 | Very low | 42.4 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -175.5 | 85.1 | 138.4 | -76.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 278 | Q | 41.6 | Very low | 42.4 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | | | | 28.6 | 113.9 | 126.5 | -154.3 | 173.3 | 36.3 | 0 | 0 | 120.6 | | |
| 279 | S | 44.9 | Very low | 41.8 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | | 167 | 131.2 | 101 | 51.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 280 | K | 41.9 | Very low | 41.9 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | 76 | 114.5 | 154.1 | -107.4 | 174.2 | -179.2 | 174.7 | 0 | 121.7 | | |
| 281 | P | 38 | Very low | 41.4 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -100.8 | 146.1 | 160.8 | 36 | -25.5 | 0 | 0 | 0 | 111.7 | | |
| 282 | S | 42.6 | Very low | 41.8 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -136.7 | 142.4 | 156.7 | -163.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 283 | V | 37.5 | Very low | 41.2 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -78 | 142.4 | -161.3 | 171 | 0 | 0 | 0 | 0 | 112 | | |
| 284 | S | 40.9 | Very low | 41 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | | 174.7 | 114.1 | 125.6 | -78.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 285 | Q | 45.1 | Very low | 40.7 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 68 | 133.6 | 134.9 | -54.6 | -163 | 6.9 | 0 | 0 | 122.7 | | |
| 286 | P | 36.2 | Very low | 40.2 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -90 | 128.7 | 167.7 | 35 | -28 | 0 | 0 | 0 | 111.4 | | |
| 287 | V | 39.7 | Very low | 40.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 125.8 | 172.3 | 163.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 288 | I | 43.2 | Very low | 40 | Very low | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 130.1 | 174.1 | -65.3 | 169.4 | 0 | 0 | 0 | 108.9 | | |
| 289 | V | 37.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 76% | 0.758 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 125.1 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 109 | | |
| 290 | S | 39.2 | Very low | 39.6 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -133.9 | 115.3 | 165.9 | -73.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 291 | T | 38.9 | Very low | 39.7 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | -102.5 | 118.1 | 173.8 | 43.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 292 | S | 44.3 | Very low | 39.7 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -111.7 | 132.5 | 168.8 | 43.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 293 | N | 36.1 | Very low | 39.7 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 166 | 176 | -85.6 | 2.2 | 0 | 0 | 0 | 112.4 | | |
| 294 | L | 42.9 | Very low | 39.6 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | 108.5 | 150.2 | 155.8 | -66.3 | 138.5 | 0 | 0 | 0 | 116.1 | | |
| 295 | P | 38.7 | Very low | 39.6 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | | | | -135 | 161.5 | -69.3 | 33 | -12.7 | 0 | 0 | 0 | 114.3 | | |
| 296 | V | 34.8 | Very low | 39.2 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | 34 | 115.6 | 146.9 | -173.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 297 | Q | 41.4 | Very low | 39.5 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -153.1 | 128.8 | 134.8 | -119.1 | 160.8 | 32.6 | 0 | 0 | 113.7 | | |
| 298 | E | 34.2 | Very low | 38.9 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -38 | 137.1 | 167.9 | -156.4 | 107.6 | 162.4 | 0 | 0 | 116 | | |
| 299 | A | 40.4 | Very low | 38.7 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | | 179.1 | 143.8 | 125.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 300 | A | 38.4 | Very low | 38.7 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -68.8 | 163.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 301 | I | 43.1 | Very low | 38.8 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | | 151.4 | 118.7 | 122.3 | -72.9 | 155.3 | 0 | 0 | 0 | 110.7 | | |
| 302 | Y | 38.2 | Very low | 39.1 | Very low | 207 Ų | 207 | 141.9 Ų | 141.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -78.4 | 157.9 | 165.7 | -89 | -77.3 | 0 | 0 | 0 | 109.9 | | |
| 303 | P | 43.1 | Very low | 39 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | | -152.2 | 172.6 | 65.7 | 38 | -14.8 | 0 | 0 | 0 | 118.9 | | |
| 304 | V | 35.1 | Very low | 39.1 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 67% | 0.667 | 81% | 0.81 | S | S | * | * | | | trans | -56.7 | 142.7 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 113 | | |
| 305 | Q | 40.4 | Very low | 39 | Very low | 196 Ų | 196 | 142.9 Ų | 142.9 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | | | trans | -137.6 | 122.5 | 151.7 | -83.5 | -173.9 | -51.6 | 0 | 0 | 110.7 | | |
| 306 | D | 36.5 | Very low | 39 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -65.8 | 145.5 | 162.8 | -74.7 | -77 | 0 | 0 | 0 | 112 | | |
| 307 | E | 42.2 | Very low | 39.2 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -159 | 129.7 | 133.9 | -121.2 | -163.4 | 114.4 | 0 | 0 | 111.9 | | |
| 308 | C | 28.7 | Very low | 39.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | | | trans | -116.6 | 136.5 | 171.9 | 169.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 309 | S | 38.5 | Very low | 39.6 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -170.2 | 106 | 154 | -84.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 310 | S | 38.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | | 17 | 133.8 | 129.5 | -42.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 311 | A | 40.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | 172.5 | 113 | 120.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 312 | M | 44.4 | Very low | 40.3 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 89% | 0.892 | 79% | 0.786 | S | S | * | * | | | | 73.7 | 114 | 99.1 | -54.9 | -146.1 | 95.1 | 0 | 0 | 117.1 | | |
| 313 | Q | 43.1 | Very low | 40.4 | Very low | 203 Ų | 203 | 129 Ų | 129 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | | | | -175.3 | 146.2 | 115 | -105.1 | 176.8 | -17.8 | 0 | 0 | 113.7 | | |
| 314 | N | 38.2 | Very low | 40.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -119.5 | 159.2 | -161.4 | 168.3 | 58.2 | 0 | 0 | 0 | 110.5 | T316 | N314-T316 PolarHBondContact OD1-OG1 3.47Š|
| 315 | S | 40.2 | Very low | 40.4 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 164.4 | 104.4 | 149.1 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 316 | T | 38.4 | Very low | 40.2 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | | 55.5 | 130.6 | 69.8 | -19.7 | 0 | 0 | 0 | 0 | 111.9 | N314 | N314-T316 PolarHBondContact OD1-OG1 3.47Š|
| 317 | S | 40.2 | Very low | 40.6 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | | | cis | -179.1 | 150.3 | 47.2 | -37 | 0 | 0 | 0 | 0 | 113.1 | | |
| 318 | T | 41.9 | Very low | 40.3 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | 58.4 | 149.3 | 134.4 | 45 | 0 | 0 | 0 | 0 | 122.3 | | |
| 319 | S | 41.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | cis | 171.2 | 146.9 | -13 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 320 | G | 45.2 | Very low | 40.8 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | 127 | 151.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 321 | P | 46.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -125.3 | -174.5 | -145.1 | 37.4 | -18 | 0 | 0 | 0 | 115 | | |
| 322 | V | 44 | Very low | 41 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | 148.2 | 115.9 | 139.8 | -69 | 0 | 0 | 0 | 0 | 114.1 | | |
| 323 | T | 40.8 | Very low | 40.9 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 91.3 | 108.8 | 99.8 | 62.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 324 | T | 37.9 | Very low | 40.8 | Very low | 133 Ų | 133 | 122 Ų | 122 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | 24.1 | 129.6 | 132.3 | 57.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 325 | S | 41.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | -164.5 | 137.7 | 131.7 | 36.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 326 | V | 35.4 | Very low | 41.1 | Very low | 134 Ų | 134 | 120 Ų | 120 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -83.2 | 151.1 | 176.7 | -75.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 327 | V | 45.7 | Very low | 41.4 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | | | trans | -170 | 150 | 139.3 | -85.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 328 | D | 34.2 | Very low | 41.5 | Very low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | -95.1 | 172.7 | -161.5 | -153.1 | -40.3 | 0 | 0 | 0 | 113.7 | | |
| 329 | V | 39.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | | | trans | 102.3 | 103.4 | 142.4 | 124.1 | 0 | 0 | 0 | 0 | 121.2 | | |
| 330 | S | 39.8 | Very low | 41.9 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | | 75.6 | 120.7 | 124.8 | -64.2 | 0 | 0 | 0 | 0 | 124.7 | | |
| 331 | S | 39.1 | Very low | 41.8 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | 71.5 | 117.4 | 131.3 | -46.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 332 | T | 43.5 | Very low | 41.8 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | | 172.7 | 144.7 | 76.9 | 31.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 333 | N | 43.2 | Very low | 41.6 | Very low | 149 Ų | 149 | 123 Ų | 123 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | 76.4 | 99.9 | 143 | -58 | -3.9 | 0 | 0 | 0 | 123.3 | | |
| 334 | N | 40.7 | Very low | 41.9 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | 11.2 | 163.4 | 123.1 | -131.3 | 13.7 | 0 | 0 | 0 | 120.2 | | |
| 335 | P | 47.2 | Very low | 42.3 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | cis | -144 | 171.9 | 2.3 | 42.2 | -22.5 | 0 | 0 | 0 | 119.5 | | |
| 336 | S | 37.3 | Very low | 42.3 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | 74.7 | 118.7 | 142.8 | -158.8 | 0 | 0 | 0 | 0 | 120 | | |
| 337 | V | 44.6 | Very low | 43.4 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | | -164.7 | 134.9 | 100.2 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 338 | S | 41.5 | Very low | 43 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | -54.4 | 151.5 | 179.4 | -51.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 339 | T | 47.1 | Very low | 43 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | | | | -169.4 | 117.9 | 122.2 | -72.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 340 | A | 45.9 | Very low | 43.1 | Very low | 98 Ų | 98 | 121.5 Ų | 121.5 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 19.9 | 124.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 341 | G | 43.3 | Very low | 43.2 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 99.6 | 99.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 342 | V | 46.9 | Very low | 43.4 | Very low | 139 Ų | 139 | 126 Ų | 126 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | | 172.2 | 118 | 113.3 | -172.7 | 0 | 0 | 0 | 0 | 105.8 | V344 | V342-V344 PolarHBondContact O-N 3.34Š|
| 343 | T | 39.5 | Very low | 43.2 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | trans | -77.9 | 108.6 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 344 | V | 46.5 | Very low | 43 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -102.2 | 115.4 | 158.7 | 174.6 | 0 | 0 | 0 | 0 | 106.2 | V342 E346 | V342-V344 PolarHBondContact O-N 3.34Å; V344-E346 PolarHBondContact O-N 3.42Å |
| 345 | V | 47.2 | Very low | 43.1 | Very low | 126 Ų | 126 | 125 Ų | 125 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -84.8 | 101.2 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 107.9 | I347 | V345-I347 HydrophobicContact CG1-CG1 4.19Š|
| 346 | E | 40.7 | Very low | 42.8 | Very low | 160 Ų | 160 | 126.6 Ų | 126.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -102.8 | 123.1 | 168.5 | -174.1 | 179.7 | 160.9 | 0 | 0 | 107.4 | V344 | V344-E346 PolarHBondContact O-N 3.42Š|
| 347 | I | 58.1 | Low | 42.8 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | -106.3 | 116.1 | 175.2 | -58.9 | 171.8 | 0 | 0 | 0 | 108.1 | V345 | V345-I347 HydrophobicContact CG1-CG1 4.19Š|
| 348 | P | 38 | Very low | 43.1 | Very low | 100 Ų | 100 | 129.7 Ų | 129.7 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | -124.9 | 128.5 | 161.4 | 33.5 | -19.5 | 0 | 0 | 0 | 111.8 | | |
| 349 | C | 33.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | 174.3 | 115.4 | 132.5 | -117.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 350 | S | 42.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | | 19.8 | 157.6 | 125.3 | -63.7 | 0 | 0 | 0 | 0 | 123.8 | | |
| 351 | P | 41.8 | Very low | 43 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -105.5 | 169.1 | -141.7 | 41.4 | -34 | 0 | 0 | 0 | 115 | | |
| 352 | E | 41.7 | Very low | 42.3 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | | 154.4 | 131.6 | 128.6 | -156.6 | -173.6 | 116 | 0 | 0 | 113.4 | | |
| 353 | N | 40.8 | Very low | 42.4 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | 69.7 | 129.1 | 151.6 | -102.4 | -25.9 | 0 | 0 | 0 | 123.5 | | |
| 354 | G | 37.4 | Very low | 42.4 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 118.1 | 91.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 355 | Q | 42.7 | Very low | 42.1 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -16.7 | 134.6 | 160.2 | -66.4 | 162.7 | -28.6 | 0 | 0 | 117.4 | | |
| 356 | T | 42.5 | Very low | 42.2 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | | 175.2 | 120.7 | 106.8 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 357 | N | 36.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 36.7 | 106.5 | 141.1 | -160.1 | -86 | 0 | 0 | 0 | 119.7 | | |
| 358 | L | 51.7 | Low | 42.6 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -141 | 112.4 | 152 | -81.7 | 169.2 | 0 | 0 | 0 | 109.3 | S360 | L358-S360 PolarHBondContact O-N 2.97Š|
| 359 | D | 36.2 | Very low | 43.7 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -50.9 | 123 | 162.3 | -70.3 | -82.9 | 0 | 0 | 0 | 111.4 | | |
| 360 | S | 53.2 | Low | 45.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -158.3 | 90.2 | 160.4 | -79.4 | 0 | 0 | 0 | 0 | 110.9 | L358 | L358-S360 PolarHBondContact O-N 2.97Š|
| 361 | K | 41.8 | Very low | 48 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | | | trans | 46.1 | 105.1 | 136 | -162.9 | -179.3 | 177.6 | -156.6 | 0 | 117.7 | I363 | K361-I363 WeakPolarHBondContact O-CG1 3.31Å; K361-I363 PolarHBondContact O-N 3.49Å |
| 362 | C | 29.4 | Very low | 50.4 | Low | 117 Ų | 117 | 129.7 Ų | 129.7 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | | | trans | -26.6 | 113.8 | 150.4 | 173 | 0 | 0 | 0 | 0 | 112.6 | | |
| 363 | I | 48.8 | Very low | 52.9 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | | | trans | -113.8 | 116.5 | 162.3 | -43.1 | 178.8 | 0 | 0 | 0 | 104.1 | K361 D365 | K361-I363 WeakPolarHBondContact O-CG1 3.31Å; K361-I363 PolarHBondContact O-N 3.49Å; I363-D365 PolarHBondContact O-N 3.07Å |
| 364 | T | 39.8 | Very low | 55.3 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | | | trans | -46.4 | 119.6 | 178.8 | -42.1 | 0 | 0 | 0 | 0 | 111.1 | E366 | T364-E366 HydrophobicContact CG2-CG 3.57Å; T364-E366 PolarHBondContact O-N 2.93Å |
| 365 | D | 39.8 | Very low | 58 | Low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 57.5 | -177.4 | -70.8 | -60.9 | 0 | 0 | 0 | 113.5 | I363 | I363-D365 PolarHBondContact O-N 3.07Š|
| 366 | E | 49.2 | Very low | 60.4 | Low | 156 Ų | 156 | 114 Ų | 114 | 73% | 0.729 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.2 | -19.7 | 178.3 | -41.1 | -92.5 | 133.6 | 0 | 0 | 111.3 | T364 | T364-E366 HydrophobicContact CG2-CG 3.57Å; T364-E366 PolarHBondContact O-N 2.93Å |
| 367 | Q | 51.9 | Low | 62.8 | Low | 169 Ų | 169 | 108.3 Ų | 108.3 | 79% | 0.79 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -95.1 | -7.8 | -166.3 | -161.5 | 161.5 | 23.2 | 0 | 0 | 115 | | |
| 368 | T | 55.5 | Low | 65.5 | Low | 120 Ų | 120 | 105 Ų | 105 | 74% | 0.736 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -8.2 | -175.8 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 369 | N | 61.9 | Low | 67.5 | Low | 135 Ų | 135 | 103.6 Ų | 103.6 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -8.5 | 180 | -68.3 | -48.4 | 0 | 0 | 0 | 114 | V371 | N369-V371 PolarHBondContact O-N 3.3Š|
| 370 | S | 78.4 | Confident | 70.3 | Confident | 43 Ų | 43 | 100.2 Ų | 100.2 | 30% | 0.301 | 56% | 0.56 | S | S | . | * | | | trans | -87.8 | 90.3 | -177 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | F372 N403 | S370-F372 PolarHBondContact O-N 3.14Å; S370-F372 PolarHBondContact OG-O 3.33Å; S370-N403 PolarHBondContact OG-ND2 3.47Å |
| 371 | V | 87.5 | Confident | 72.2 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 69% | 0.691 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -63.9 | -35.7 | 176.9 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | N369 N403 I406 | N369-V371 PolarHBondContact O-N 3.3Å; V371-N403 PolarHBondContact N-OD1 3.38Å; V371-N403 VanDerWaalsContact N-OD1 3.1Å; V371-I406 HydrophobicContact CB-CD1 4.38Å; V371-I406 HydrophobicContact CG1-CD1 4.47Å |
| 372 | F | 92.6 | Very high | 74.6 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 17% | 0.167 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -97.6 | 123 | 174.2 | -170.1 | -98.9 | 0 | 0 | 0 | 109.4 | S370 L377 L380 T399 A402 N403 I406 | S370-F372 PolarHBondContact O-N 3.14Å; S370-F372 PolarHBondContact OG-O 3.33Å; F372-L377 HydrophobicContact CE1-CB 3.85Å; F372-L377 HydrophobicContact CE1-CD1 4.31Å; F372-L377 HydrophobicContact CZ-CB 3.99Å; F372-L377 HydrophobicContact CZ-CD1 4.22Å; F372-L380 HydrophobicContact CE2-CD1 3.69Å; F372-L380 HydrophobicContact CZ-CD1 3.77Å; F372-T399 HydrophobicContact CD1-CG2 4.25Å; F372-T399 WeakPolarHBondContact O-CG2 3.37Å; F372-A402 HydrophobicContact CB-CB 4.26Å; F372-A402 HydrophobicContact CD1-CB 3.43Å; F372-A402 VanDerWaalsContact CD1-CB 3.43Å; F372-A402 HydrophobicContact CE1-CB 3.81Å; F372-A402 HydrophobicContact CG-CB 3.84Å; F372-N403 PolarHBondContact N-OD1 2.93Å; F372-N403 PolarHBondContact O-ND2 3.35Å; F372-I406 HydrophobicContact CB-CD1 4.02Å |
| 373 | T | 94.3 | Very high | 77.7 | Confident | 58 Ų | 58 | 93 Ų | 93 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | | | trans | -111 | 159.2 | -175.2 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | S375 S376 L377 | T373-S375 PolarHBondContact O-N 3.27Å; T373-S376 WeakPolarHBondContact O-CA 3.47Å; T373-S376 WeakPolarHBondContact O-CB 3.29Å; T373-S376 PolarHBondContact O-N 3.38Å; T373-S376 PolarHBondContact OG1-N 3.34Å; T373-S376 PolarHBondContact OG1-OG 2.92Å; T373-S376 VanDerWaalsContact OG1-OG 3.05Å; T373-L377 PolarHBondContact O-N 3.19Å |
| 374 | S | 91.4 | Very high | 79.6 | Confident | 60 Ų | 60 | 93.3 Ų | 93.3 | 42% | 0.42 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.6 | -35.5 | 173.6 | 137.5 | 0 | 0 | 0 | 0 | 112.3 | S376 L377 T378 E395 | S374-S376 PolarHBondContact O-N 3.26Å; S374-L377 WeakPolarHBondContact O-CB 3.3Å; S374-L377 PolarHBondContact O-N 3.42Å; S374-T378 PolarHBondContact O-N 3.05Å; S374-T378 PolarHBondContact O-OG1 2.91Å; S374-E395 WeakPolarHBondContact CA-OE1 3.47Å; S374-E395 WeakPolarHBondContact CB-OE1 3.3Å; S374-E395 PolarHBondContact OG-OE1 3.21Å |
| 375 | S | 92.1 | Very high | 82.1 | Confident | 86 Ų | 86 | 94.1 Ų | 94.1 | 60% | 0.601 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 173.1 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | T373 L377 T378 E379 | T373-S375 PolarHBondContact O-N 3.27Å; S375-L377 VanDerWaalsContact C-N 3.32Å; S375-T378 PolarHBondContact O-N 3.36Å; S375-E379 PolarHBondContact O-N 2.91Å |
| 376 | S | 93.5 | Very high | 84.5 | Confident | 39 Ų | 39 | 91.7 Ų | 91.7 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | T373 S374 E379 L380 | T373-S376 WeakPolarHBondContact O-CA 3.47Å; T373-S376 WeakPolarHBondContact O-CB 3.29Å; T373-S376 PolarHBondContact O-N 3.38Å; T373-S376 PolarHBondContact OG1-N 3.34Å; T373-S376 PolarHBondContact OG1-OG 2.92Å; T373-S376 VanDerWaalsContact OG1-OG 3.05Å; S374-S376 PolarHBondContact O-N 3.26Å; S376-E379 PolarHBondContact O-N 3.15Å; S376-L380 VanDerWaalsContact O-CG 3.31Å; S376-L380 WeakPolarHBondContact O-CG 3.43Å; S376-L380 PolarHBondContact O-N 3.47Å |
| 377 | L | 94.5 | Very high | 86.3 | Confident | 15 Ų | 15 | 92.4 Ų | 92.4 | 8% | 0.079 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 174.1 | -177.4 | 55.8 | 0 | 0 | 0 | 111.7 | F372 T373 S374 S375 L380 L381 L390 E395 I398 | F372-L377 HydrophobicContact CE1-CB 3.85Å; F372-L377 HydrophobicContact CE1-CD1 4.31Å; F372-L377 HydrophobicContact CZ-CB 3.99Å; F372-L377 HydrophobicContact CZ-CD1 4.22Å; T373-L377 PolarHBondContact O-N 3.19Å; S374-L377 WeakPolarHBondContact O-CB 3.3Å; S374-L377 PolarHBondContact O-N 3.42Å; S375-L377 VanDerWaalsContact C-N 3.32Å; L377-L380 PolarHBondContact O-N 2.82Å; L377-L381 HydrophobicContact CD1-CD1 4.43Å; L377-L381 HydrophobicContact CD1-CG 4.48Å; L377-L381 HydrophobicContact CG-CD1 4.14Å; L377-L381 VanDerWaalsContact O-CG 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.36Å; L377-L381 PolarHBondContact O-N 3.22Å; L377-L390 HydrophobicContact CD2-CD1 4.23Å; L377-E395 HydrophobicContact CD2-CG 3.7Å; L377-I398 HydrophobicContact CD1-CG2 3.93Å; L377-I398 HydrophobicContact CD2-CB 3.94Å; L377-I398 HydrophobicContact CD2-CG2 3.74Å |
| 378 | T | 92.6 | Very high | 88.2 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | S374 S375 L381 T382 | S374-T378 PolarHBondContact O-N 3.05Å; S374-T378 PolarHBondContact O-OG1 2.91Å; S375-T378 PolarHBondContact O-N 3.36Å; T378-L381 PolarHBondContact O-N 2.95Å; T378-T382 WeakPolarHBondContact O-CB 3.49Å; T378-T382 PolarHBondContact O-N 2.9Å; T378-T382 PolarHBondContact O-OG1 2.5Å |
| 379 | E | 93.9 | Very high | 89.7 | Confident | 139 Ų | 139 | 91.6 Ų | 91.6 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -47.8 | 174.4 | -176.7 | 175.9 | -169.4 | 0 | 0 | 111.1 | S375 S376 L381 T382 E383 | S375-E379 PolarHBondContact O-N 2.91Å; S376-E379 PolarHBondContact O-N 3.15Å; E379-L381 PolarHBondContact O-N 3.29Å; E379-T382 PolarHBondContact O-N 3.49Å; E379-E383 PolarHBondContact O-N 2.96Å; E379-E383 VanDerWaalsContact O-N 3.16Å |
| 380 | L | 94.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 87.4 Ų | 87.4 | 37% | 0.366 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 175.6 | -71.4 | 168.9 | 0 | 0 | 0 | 111.5 | F372 S376 L377 T382 E383 F384 | F372-L380 HydrophobicContact CE2-CD1 3.69Å; F372-L380 HydrophobicContact CZ-CD1 3.77Å; S376-L380 VanDerWaalsContact O-CG 3.31Å; S376-L380 WeakPolarHBondContact O-CG 3.43Å; S376-L380 PolarHBondContact O-N 3.47Å; L377-L380 PolarHBondContact O-N 2.82Å; L380-T382 PolarHBondContact O-N 2.77Å; L380-E383 PolarHBondContact O-N 3.34Å; L380-E383 VanDerWaalsContact O-N 3.08Å; L380-F384 HydrophobicContact CD2-CE2 4.09Å; L380-F384 WeakPolarHBondContact O-CD2 3.38Å; L380-F384 PolarHBondContact O-N 3.43Å; L380-F384 VanDerWaalsContact O-N 3.09Å |
| 381 | L | 92.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 90.8 Ų | 90.8 | 18% | 0.183 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58.9 | -38.5 | 177.8 | -74.2 | 165.4 | 0 | 0 | 0 | 112.1 | L377 T378 E379 E383 F384 E385 L388 L390 | L377-L381 HydrophobicContact CD1-CD1 4.43Å; L377-L381 HydrophobicContact CD1-CG 4.48Å; L377-L381 HydrophobicContact CG-CD1 4.14Å; L377-L381 VanDerWaalsContact O-CG 3.3Å; L377-L381 WeakPolarHBondContact O-CG 3.36Å; L377-L381 PolarHBondContact O-N 3.22Å; T378-L381 PolarHBondContact O-N 2.95Å; E379-L381 PolarHBondContact O-N 3.29Å; L381-E383 VanDerWaalsContact C-N 3.28Å; L381-E383 PolarHBondContact O-N 3.22Å; L381-F384 PolarHBondContact O-N 3.39Å; L381-E385 CarbonylContact O-C 3.43Å; L381-E385 WeakPolarHBondContact O-CA 3.38Å; L381-E385 PolarHBondContact O-N 3.35Å; L381-E385 VanDerWaalsContact O-O 3.05Å; L381-L388 HydrophobicContact CD2-CD2 3.81Å; L381-L388 HydrophobicContact CD2-CG 4.39Å; L381-L390 HydrophobicContact CD1-CD1 3.54Å; L381-L390 HydrophobicContact CD1-CG 3.89Å |
| 382 | T | 92.2 | Very high | 92.1 | Very high | 88 Ų | 88 | 90 Ų | 90 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.1 | -31.6 | 178.2 | -55 | 0 | 0 | 0 | 0 | 112.1 | T378 E379 L380 P386 | T378-T382 WeakPolarHBondContact O-CB 3.49Å; T378-T382 PolarHBondContact O-N 2.9Å; T378-T382 PolarHBondContact O-OG1 2.5Å; E379-T382 PolarHBondContact O-N 3.49Å; L380-T382 PolarHBondContact O-N 2.77Å; T382-P386 WeakPolarHBondContact O-CG 3.06Å |
| 383 | E | 93.2 | Very high | 92.2 | Very high | 146 Ų | 146 | 94.1 Ų | 94.1 | 68% | 0.682 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -75.1 | -40.8 | 176.7 | -172.2 | 178.1 | -179.1 | 0 | 0 | 112.7 | E379 L380 L381 | E379-E383 PolarHBondContact O-N 2.96Å; E379-E383 VanDerWaalsContact O-N 3.16Å; L380-E383 PolarHBondContact O-N 3.34Å; L380-E383 VanDerWaalsContact O-N 3.08Å; L381-E383 VanDerWaalsContact C-N 3.28Å; L381-E383 PolarHBondContact O-N 3.22Å |
| 384 | F | 90.1 | Very high | 92.3 | Very high | 145 Ų | 145 | 94.3 Ų | 94.3 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -90.4 | -47.7 | -175.6 | -67.2 | -74.1 | 0 | 0 | 0 | 113.6 | L380 L381 | L380-F384 HydrophobicContact CD2-CE2 4.09Å; L380-F384 WeakPolarHBondContact O-CD2 3.38Å; L380-F384 PolarHBondContact O-N 3.43Å; L380-F384 VanDerWaalsContact O-N 3.09Å; L381-F384 PolarHBondContact O-N 3.39Å |
| 385 | E | 92.5 | Very high | 92.4 | Very high | 115 Ų | 115 | 93.2 Ų | 93.2 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | | | trans | -141.3 | 80.2 | -172.3 | -75.7 | -66.3 | 171 | 0 | 0 | 111.1 | L381 H387 L388 | L381-E385 CarbonylContact O-C 3.43Å; L381-E385 WeakPolarHBondContact O-CA 3.38Å; L381-E385 PolarHBondContact O-N 3.35Å; L381-E385 VanDerWaalsContact O-O 3.05Å; E385-H387 PolarHBondContact O-N 2.79Å; E385-L388 HydrophobicContact CB-CB 3.92Å; E385-L388 HydrophobicContact CB-CD2 4.48Å; E385-L388 PolarHBondContact O-N 3.43Å; E385-L388 VanDerWaalsContact O-N 3.07Å |
| 386 | P | 89.2 | Confident | 92.5 | Very high | 88 Ų | 88 | 95 Ų | 95 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.2 | -174.9 | -21 | 28.8 | 0 | 0 | 0 | 115.5 | T382 | T382-P386 WeakPolarHBondContact O-CG 3.06Š|
| 387 | H | 88.4 | Confident | 92.6 | Very high | 172 Ų | 172 | 97 Ų | 97 | 80% | 0.796 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -6.8 | -176.6 | -56.2 | -45 | 0 | 0 | 0 | 113.2 | E385 Q389 | E385-H387 PolarHBondContact O-N 2.79Å; H387-Q389 PolarHBondContact O-N 3.4Å |
| 388 | L | 90.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | | | trans | -81.1 | 118.7 | -179.9 | -178.4 | 58.4 | 0 | 0 | 0 | 109.9 | L381 E385 L390 | L381-L388 HydrophobicContact CD2-CD2 3.81Å; L381-L388 HydrophobicContact CD2-CG 4.39Å; E385-L388 HydrophobicContact CB-CB 3.92Å; E385-L388 HydrophobicContact CB-CD2 4.48Å; E385-L388 PolarHBondContact O-N 3.43Å; E385-L388 VanDerWaalsContact O-N 3.07Å; L388-L390 HydrophobicContact CD2-CD2 4.48Å; L388-L390 HydrophobicContact CG-CD2 4.39Å |
| 389 | Q | 88.1 | Confident | 92.8 | Very high | 182 Ų | 182 | 96.7 Ų | 96.7 | 85% | 0.85 | 50% | 0.498 | S | S | * | . | | | trans | -105 | 123.2 | 170.5 | -66.3 | -177.8 | 10 | 0 | 0 | 108.5 | H387 | H387-Q389 PolarHBondContact O-N 3.4Š|
| 390 | L | 90 | Very high | 92.9 | Very high | 46 Ų | 46 | 94.3 Ų | 94.3 | 24% | 0.241 | 49% | 0.489 | C | S | . | . | | | trans | -89.2 | 143.5 | 172.5 | -65.3 | -176.7 | 0 | 0 | 0 | 109.9 | L377 L381 L388 V394 I398 | L377-L390 HydrophobicContact CD2-CD1 4.23Å; L381-L390 HydrophobicContact CD1-CD1 3.54Å; L381-L390 HydrophobicContact CD1-CG 3.89Å; L388-L390 HydrophobicContact CD2-CD2 4.48Å; L388-L390 HydrophobicContact CG-CD2 4.39Å; L390-V394 HydrophobicContact CD2-CG1 4.23Å; L390-I398 HydrophobicContact CD1-CD1 3.88Å |
| 391 | D | 93.4 | Very high | 93 | Very high | 114 Ų | 114 | 95.9 Ų | 95.9 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | | | trans | -68.1 | 145.4 | 167.2 | -67.2 | -33.7 | 0 | 0 | 0 | 109.4 | D393 V394 E395 | D391-D393 PolarHBondContact O-N 2.9Å; D391-D393 VanDerWaalsContact O-N 3.16Å; D391-V394 HydrophobicContact CB-CG2 4.17Å; D391-V394 WeakPolarHBondContact O-CB 3.45Å; D391-V394 PolarHBondContact O-N 2.93Å; D391-E395 PolarHBondContact O-N 3.23Å |
| 392 | P | 92.9 | Very high | 93.1 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 63% | 0.63 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -53.2 | -39.8 | -178 | -27.5 | 34.6 | 0 | 0 | 0 | 113.6 | V394 E395 E396 | P392-V394 VanDerWaalsContact C-N 3.31Å; P392-V394 PolarHBondContact O-N 2.92Å; P392-E395 WeakPolarHBondContact O-CB 3.49Å; P392-E395 PolarHBondContact O-N 3.16Å; P392-E396 PolarHBondContact O-N 2.85Å; P392-E396 VanDerWaalsContact O-N 3.08Å |
| 393 | D | 94.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 92 Ų | 92 | 67% | 0.668 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -35.4 | 179 | -61.1 | -13.5 | 0 | 0 | 0 | 111.8 | D391 V397 | D391-D393 PolarHBondContact O-N 2.9Å; D391-D393 VanDerWaalsContact O-N 3.16Å; D393-V397 VanDerWaalsContact O-CG2 3.31Å; D393-V397 WeakPolarHBondContact O-CG2 3.47Å; D393-V397 PolarHBondContact O-N 3.37Å |
| 394 | V | 96.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 90.2 Ų | 90.2 | 38% | 0.382 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74 | -40 | 178.4 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | L390 D391 P392 E396 V397 I398 | L390-V394 HydrophobicContact CD2-CG1 4.23Å; D391-V394 HydrophobicContact CB-CG2 4.17Å; D391-V394 WeakPolarHBondContact O-CB 3.45Å; D391-V394 PolarHBondContact O-N 2.93Å; P392-V394 VanDerWaalsContact C-N 3.31Å; P392-V394 PolarHBondContact O-N 2.92Å; V394-E396 VanDerWaalsContact C-N 3.32Å; V394-E396 PolarHBondContact O-N 3.23Å; V394-V397 PolarHBondContact O-N 3.45Å; V394-I398 HydrophobicContact CG1-CD1 3.83Å; V394-I398 HydrophobicContact CG1-CG1 4.39Å; V394-I398 WeakPolarHBondContact O-CG1 3.4Å; V394-I398 PolarHBondContact O-N 3.47Å |
| 395 | E | 93.9 | Very high | 93.7 | Very high | 37 Ų | 37 | 86.6 Ų | 86.6 | 17% | 0.173 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 176.6 | -164.7 | -176.9 | 166.1 | 0 | 0 | 111.6 | S374 L377 D391 P392 I398 T399 | S374-E395 WeakPolarHBondContact CA-OE1 3.47Å; S374-E395 WeakPolarHBondContact CB-OE1 3.3Å; S374-E395 PolarHBondContact OG-OE1 3.21Å; L377-E395 HydrophobicContact CD2-CG 3.7Å; D391-E395 PolarHBondContact O-N 3.23Å; P392-E395 WeakPolarHBondContact O-CB 3.49Å; P392-E395 PolarHBondContact O-N 3.16Å; E395-I398 PolarHBondContact O-N 3.35Å; E395-T399 VanDerWaalsContact O-CB 3.3Å; E395-T399 WeakPolarHBondContact O-CB 3.4Å; E395-T399 PolarHBondContact O-N 3.24Å; E395-T399 PolarHBondContact O-OG1 3.05Å |
| 396 | E | 94.4 | Very high | 93.9 | Very high | 122 Ų | 122 | 84.1 Ų | 84.1 | 57% | 0.57 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 175.2 | -174.8 | -178.9 | 171.1 | 0 | 0 | 111.6 | P392 V394 I398 T399 N400 | P392-E396 PolarHBondContact O-N 2.85Å; P392-E396 VanDerWaalsContact O-N 3.08Å; V394-E396 VanDerWaalsContact C-N 3.32Å; V394-E396 PolarHBondContact O-N 3.23Å; E396-I398 PolarHBondContact O-N 2.9Å; E396-T399 PolarHBondContact O-N 2.71Å; E396-N400 WeakPolarHBondContact O-CB 3.46Å; E396-N400 VanDerWaalsContact O-CG 3.27Å; E396-N400 PolarHBondContact O-N 3.23Å; E396-N400 PolarHBondContact O-ND2 3.01Å |
| 397 | V | 96.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 84.2 Ų | 84.2 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -46.1 | 179.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | D393 V394 T399 N400 L401 | D393-V397 VanDerWaalsContact O-CG2 3.31Å; D393-V397 WeakPolarHBondContact O-CG2 3.47Å; D393-V397 PolarHBondContact O-N 3.37Å; V394-V397 PolarHBondContact O-N 3.45Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 3.45Å; V397-N400 PolarHBondContact O-N 3.37Å; V397-L401 HydrophobicContact CG1-CD1 4.01Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 VanDerWaalsContact O-CG 3.29Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 2.88Å |
| 398 | I | 95.9 | Very high | 94.5 | Very high | 63 Ų | 63 | 78.5 Ų | 78.5 | 32% | 0.323 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.9 | -66.4 | 170.7 | 0 | 0 | 0 | 110.5 | L377 L390 V394 E395 E396 N400 L401 A402 | L377-I398 HydrophobicContact CD1-CG2 3.93Å; L377-I398 HydrophobicContact CD2-CB 3.94Å; L377-I398 HydrophobicContact CD2-CG2 3.74Å; L390-I398 HydrophobicContact CD1-CD1 3.88Å; V394-I398 HydrophobicContact CG1-CD1 3.83Å; V394-I398 HydrophobicContact CG1-CG1 4.39Å; V394-I398 WeakPolarHBondContact O-CG1 3.4Å; V394-I398 PolarHBondContact O-N 3.47Å; E395-I398 PolarHBondContact O-N 3.35Å; E396-I398 PolarHBondContact O-N 2.9Å; I398-N400 VanDerWaalsContact C-N 3.33Å; I398-N400 PolarHBondContact O-N 3.04Å; I398-L401 PolarHBondContact O-N 3.06Å; I398-A402 WeakPolarHBondContact O-CB 3.32Å; I398-A402 PolarHBondContact O-N 3.26Å |
| 399 | T | 95.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | F372 E395 E396 V397 A402 N403 | F372-T399 HydrophobicContact CD1-CG2 4.25Å; F372-T399 WeakPolarHBondContact O-CG2 3.37Å; E395-T399 VanDerWaalsContact O-CB 3.3Å; E395-T399 WeakPolarHBondContact O-CB 3.4Å; E395-T399 PolarHBondContact O-N 3.24Å; E395-T399 PolarHBondContact O-OG1 3.05Å; E396-T399 PolarHBondContact O-N 2.71Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-T399 PolarHBondContact O-N 3.45Å; T399-A402 PolarHBondContact O-N 3.34Å; T399-N403 PolarHBondContact O-N 3.42Å; T399-N403 PolarHBondContact O-ND2 3.39Å |
| 400 | N | 95.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 68.6 Ų | 68.6 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 177.3 | -72.4 | -20 | 0 | 0 | 0 | 112.1 | E396 V397 I398 A402 N403 E404 | E396-N400 WeakPolarHBondContact O-CB 3.46Å; E396-N400 VanDerWaalsContact O-CG 3.27Å; E396-N400 PolarHBondContact O-N 3.23Å; E396-N400 PolarHBondContact O-ND2 3.01Å; V397-N400 PolarHBondContact O-N 3.37Å; I398-N400 VanDerWaalsContact C-N 3.33Å; I398-N400 PolarHBondContact O-N 3.04Å; N400-A402 VanDerWaalsContact C-N 3.32Å; N400-A402 PolarHBondContact O-N 3.23Å; N400-N403 PolarHBondContact O-N 3.45Å; N400-E404 PolarHBondContact O-N 2.96Å |
| 401 | L | 96.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 71.4 Ų | 71.4 | 53% | 0.534 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.9 | -71.2 | 172.4 | 0 | 0 | 0 | 112.3 | V397 I398 E404 F405 | V397-L401 HydrophobicContact CG1-CD1 4.01Å; V397-L401 HydrophobicContact CG1-CG 4.46Å; V397-L401 VanDerWaalsContact O-CG 3.29Å; V397-L401 WeakPolarHBondContact O-CG 3.38Å; V397-L401 PolarHBondContact O-N 2.88Å; I398-L401 PolarHBondContact O-N 3.06Å; L401-E404 PolarHBondContact O-N 3.09Å; L401-F405 WeakPolarHBondContact O-CB 3.5Å; L401-F405 PolarHBondContact O-N 2.97Å |
| 402 | A | 96.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F372 I398 T399 N400 F405 I406 | F372-A402 HydrophobicContact CB-CB 4.26Å; F372-A402 HydrophobicContact CD1-CB 3.43Å; F372-A402 VanDerWaalsContact CD1-CB 3.43Å; F372-A402 HydrophobicContact CE1-CB 3.81Å; F372-A402 HydrophobicContact CG-CB 3.84Å; I398-A402 WeakPolarHBondContact O-CB 3.32Å; I398-A402 PolarHBondContact O-N 3.26Å; T399-A402 PolarHBondContact O-N 3.34Å; N400-A402 VanDerWaalsContact C-N 3.32Å; N400-A402 PolarHBondContact O-N 3.23Å; A402-F405 WeakPolarHBondContact O-CB 3.4Å; A402-F405 PolarHBondContact O-N 3.07Å; A402-I406 WeakPolarHBondContact O-CG1 3.28Å; A402-I406 PolarHBondContact O-N 3.34Å; A402-I406 VanDerWaalsContact O-N 3.09Å |
| 403 | N | 95.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 65 Ų | 65 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.9 | -74.1 | -64.4 | 0 | 0 | 0 | 112 | S370 V371 F372 T399 N400 F405 I406 V407 | S370-N403 PolarHBondContact OG-ND2 3.47Å; V371-N403 PolarHBondContact N-OD1 3.38Å; V371-N403 VanDerWaalsContact N-OD1 3.1Å; F372-N403 PolarHBondContact N-OD1 2.93Å; F372-N403 PolarHBondContact O-ND2 3.35Å; T399-N403 PolarHBondContact O-N 3.42Å; T399-N403 PolarHBondContact O-ND2 3.39Å; N400-N403 PolarHBondContact O-N 3.45Å; N403-F405 VanDerWaalsContact C-N 3.32Å; N403-F405 PolarHBondContact O-N 3.33Å; N403-I406 PolarHBondContact O-N 3.05Å; N403-V407 WeakPolarHBondContact O-CG2 3.47Å; N403-V407 PolarHBondContact O-N 2.72Å |
| 404 | E | 95.7 | Very high | 95.7 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 174 | -163.4 | -161.4 | 134.3 | 0 | 0 | 111.4 | N400 L401 I406 V407 N408 | N400-E404 PolarHBondContact O-N 2.96Å; L401-E404 PolarHBondContact O-N 3.09Å; E404-I406 VanDerWaalsContact C-N 3.34Å; E404-I406 PolarHBondContact O-N 3.37Å; E404-V407 PolarHBondContact O-N 3.48Å; E404-N408 VanDerWaalsContact O-CB 3.28Å; E404-N408 WeakPolarHBondContact O-CB 3.27Å; E404-N408 PolarHBondContact O-N 3.08Å; E404-N408 PolarHBondContact O-ND2 3.03Å; E404-N408 PolarHBondContact OE1-ND2 3Å |
| 405 | F | 96.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 31% | 0.307 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 174.4 | 166 | -96.8 | 0 | 0 | 0 | 112.1 | L401 A402 N403 N408 C409 W438 | L401-F405 WeakPolarHBondContact O-CB 3.5Å; L401-F405 PolarHBondContact O-N 2.97Å; A402-F405 WeakPolarHBondContact O-CB 3.4Å; A402-F405 PolarHBondContact O-N 3.07Å; N403-F405 VanDerWaalsContact C-N 3.32Å; N403-F405 PolarHBondContact O-N 3.33Å; F405-N408 PolarHBondContact O-N 3.16Å; F405-C409 VanDerWaalsContact O-CB 3.27Å; F405-C409 WeakPolarHBondContact O-CB 3.32Å; F405-C409 PolarHBondContact O-N 3.21Å; F405-W438 AromaticContact CD2-CD2 3.75Å; F405-W438 HydrophobicContact CD2-CD2 3.75Å; F405-W438 AromaticContact CD2-CE2 3.48Å; F405-W438 VanDerWaalsContact CD2-CE2 3.48Å; F405-W438 HydrophobicContact CD2-CE3 4.07Å; F405-W438 HydrophobicContact CD2-CG 4.34Å; F405-W438 AromaticContact CD2-CH2 3.92Å; F405-W438 HydrophobicContact CD2-CH2 3.92Å; F405-W438 AromaticContact CD2-CZ2 3.59Å; F405-W438 HydrophobicContact CD2-CZ2 3.59Å; F405-W438 HydrophobicContact CD2-CZ3 4.15Å; F405-W438 AromaticContact CD2-NE1 3.9Å; F405-W438 AromaticContact CE2-CD1 3.78Å; F405-W438 AromaticContact CE2-CD2 3.66Å; F405-W438 HydrophobicContact CE2-CD2 3.66Å; F405-W438 AromaticContact CE2-CE2 3.65Å; F405-W438 HydrophobicContact CE2-CE3 4.26Å; F405-W438 AromaticContact CE2-CG 3.76Å; F405-W438 HydrophobicContact CE2-CG 3.76Å; F405-W438 HydrophobicContact CE2-CZ2 4.24Å; F405-W438 AromaticContact CE2-NE1 3.68Å |
| 406 | I | 95.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 179.5 | -67.5 | 165 | 0 | 0 | 0 | 110.5 | V371 F372 A402 N403 E404 C409 A410 | V371-I406 HydrophobicContact CB-CD1 4.38Å; V371-I406 HydrophobicContact CG1-CD1 4.47Å; F372-I406 HydrophobicContact CB-CD1 4.02Å; A402-I406 WeakPolarHBondContact O-CG1 3.28Å; A402-I406 PolarHBondContact O-N 3.34Å; A402-I406 VanDerWaalsContact O-N 3.09Å; N403-I406 PolarHBondContact O-N 3.05Å; E404-I406 VanDerWaalsContact C-N 3.34Å; E404-I406 PolarHBondContact O-N 3.37Å; I406-C409 PolarHBondContact O-N 3.21Å; I406-A410 VanDerWaalsContact O-CB 3.27Å; I406-A410 WeakPolarHBondContact O-CB 3.34Å; I406-A410 PolarHBondContact O-N 3Å |
| 407 | V | 95.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 61 Ų | 61 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.9 | -48.3 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | N403 E404 C409 A410 E411 | N403-V407 WeakPolarHBondContact O-CG2 3.47Å; N403-V407 PolarHBondContact O-N 2.72Å; E404-V407 PolarHBondContact O-N 3.48Å; V407-C409 VanDerWaalsContact C-N 3.31Å; V407-C409 PolarHBondContact O-N 3.09Å; V407-A410 PolarHBondContact O-N 3.29Å; V407-E411 WeakPolarHBondContact O-CB 3.31Å; V407-E411 PolarHBondContact O-N 2.93Å |
| 408 | N | 95.1 | Very high | 95.8 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 28% | 0.278 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 179.3 | -73.1 | -16.9 | 0 | 0 | 0 | 111.9 | E404 F405 K412 | E404-N408 VanDerWaalsContact O-CB 3.28Å; E404-N408 WeakPolarHBondContact O-CB 3.27Å; E404-N408 PolarHBondContact O-N 3.08Å; E404-N408 PolarHBondContact O-ND2 3.03Å; E404-N408 PolarHBondContact OE1-ND2 3Å; F405-N408 PolarHBondContact O-N 3.16Å; N408-K412 WeakPolarHBondContact O-CG 3.39Å; N408-K412 PolarHBondContact O-N 3.46Å |
| 409 | C | 96 | Very high | 95.7 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.7 | -43.2 | 177.9 | -164.9 | 0 | 0 | 0 | 0 | 111.7 | F405 I406 V407 K412 A413 | F405-C409 VanDerWaalsContact O-CB 3.27Å; F405-C409 WeakPolarHBondContact O-CB 3.32Å; F405-C409 PolarHBondContact O-N 3.21Å; I406-C409 PolarHBondContact O-N 3.21Å; V407-C409 VanDerWaalsContact C-N 3.31Å; V407-C409 PolarHBondContact O-N 3.09Å; C409-K412 PolarHBondContact O-N 3.47Å; C409-A413 VanDerWaalsContact O-CB 3.3Å; C409-A413 WeakPolarHBondContact O-CB 3.44Å; C409-A413 PolarHBondContact O-N 3.18Å |
| 410 | A | 95.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 70 Ų | 70 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I406 V407 K412 A413 Q414 | I406-A410 VanDerWaalsContact O-CB 3.27Å; I406-A410 WeakPolarHBondContact O-CB 3.34Å; I406-A410 PolarHBondContact O-N 3Å; V407-A410 PolarHBondContact O-N 3.29Å; A410-K412 PolarHBondContact O-N 3.22Å; A410-A413 PolarHBondContact O-N 3.4Å; A410-Q414 WeakPolarHBondContact O-CB 3.12Å; A410-Q414 PolarHBondContact O-N 3.16Å |
| 411 | E | 95.8 | Very high | 95.4 | Very high | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.2 | -170.4 | -172.3 | 168.3 | 0 | 0 | 111.2 | V407 Q414 Q415 | V407-E411 WeakPolarHBondContact O-CB 3.31Å; V407-E411 PolarHBondContact O-N 2.93Å; E411-Q414 WeakPolarHBondContact O-CB 3.41Å; E411-Q414 PolarHBondContact O-N 3.42Å; E411-Q415 WeakPolarHBondContact O-CG 3.35Å; E411-Q415 PolarHBondContact O-N 3.49Å; E411-Q415 PolarHBondContact OE1-NE2 3.37Å |
| 412 | K | 95.6 | Very high | 95.2 | Very high | 75 Ų | 75 | 67.1 Ų | 67.1 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.7 | -72.5 | -167.8 | -175.4 | -173 | 0 | 112.6 | N408 C409 A410 Q414 Q415 L416 C433 D437 | N408-K412 WeakPolarHBondContact O-CG 3.39Å; N408-K412 PolarHBondContact O-N 3.46Å; C409-K412 PolarHBondContact O-N 3.47Å; A410-K412 PolarHBondContact O-N 3.22Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.39Å; K412-Q415 PolarHBondContact O-N 3.48Å; K412-L416 VanDerWaalsContact O-CG 3.3Å; K412-L416 WeakPolarHBondContact O-CG 3.4Å; K412-L416 PolarHBondContact O-N 2.9Å; K412-C433 HydrophobicContact CB-CB 4.49Å; K412-D437 WeakPolarHBondContact CD-OD2 3.43Å; K412-D437 WeakPolarHBondContact CE-OD2 3.48Å; K412-D437 IonicContact NZ-OD1 3.35Å; K412-D437 PolarHBondContact NZ-OD1 2.98Å; K412-D437 IonicContact NZ-OD2 2.72Å; K412-D437 PolarHBondContact NZ-OD2 2.91Å |
| 413 | A | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C409 A410 L416 A417 V425 D429 V430 | C409-A413 VanDerWaalsContact O-CB 3.3Å; C409-A413 WeakPolarHBondContact O-CB 3.44Å; C409-A413 PolarHBondContact O-N 3.18Å; A410-A413 PolarHBondContact O-N 3.4Å; A413-L416 PolarHBondContact O-N 3.26Å; A413-A417 PolarHBondContact O-N 2.93Å; A413-V425 HydrophobicContact CB-CG1 3.77Å; A413-D429 HydrophobicContact CB-CB 4.02Å; A413-V430 HydrophobicContact CB-CG2 3.84Å |
| 414 | Q | 96.7 | Very high | 95 | Very high | 112 Ų | 112 | 76.2 Ų | 76.2 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 173.1 | -176.6 | 179.4 | -17.7 | 0 | 0 | 112.1 | A410 E411 K412 L416 A417 L418 V425 | A410-Q414 WeakPolarHBondContact O-CB 3.12Å; A410-Q414 PolarHBondContact O-N 3.16Å; E411-Q414 WeakPolarHBondContact O-CB 3.41Å; E411-Q414 PolarHBondContact O-N 3.42Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 3.39Å; Q414-L416 VanDerWaalsContact C-N 3.27Å; Q414-L416 PolarHBondContact O-N 3.24Å; Q414-A417 PolarHBondContact O-N 3.1Å; Q414-L418 HydrophobicContact CG-CD1 4.34Å; Q414-L418 VanDerWaalsContact O-CG 3.31Å; Q414-L418 WeakPolarHBondContact O-CG 3.27Å; Q414-L418 PolarHBondContact O-N 2.93Å; Q414-V425 HydrophobicContact CB-CG2 4.27Å |
| 415 | Q | 96.4 | Very high | 95 | Very high | 109 Ų | 109 | 74 Ų | 74 | 51% | 0.509 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 175.6 | -70 | 175.4 | 10.9 | 0 | 0 | 112 | E411 K412 H419 | E411-Q415 WeakPolarHBondContact O-CG 3.35Å; E411-Q415 PolarHBondContact O-N 3.49Å; E411-Q415 PolarHBondContact OE1-NE2 3.37Å; K412-Q415 PolarHBondContact O-N 3.48Å; Q415-H419 WeakPolarHBondContact O-CB 3.38Å; Q415-H419 PolarHBondContact O-N 3.3Å |
| 416 | L | 95.5 | Very high | 94.8 | Very high | 42 Ų | 42 | 74.2 Ų | 74.2 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.3 | -43.1 | 176.2 | -72.6 | 165.3 | 0 | 0 | 0 | 112.6 | K412 A413 Q414 L418 H419 R420 D429 F432 | K412-L416 VanDerWaalsContact O-CG 3.3Å; K412-L416 WeakPolarHBondContact O-CG 3.4Å; K412-L416 PolarHBondContact O-N 2.9Å; A413-L416 PolarHBondContact O-N 3.26Å; Q414-L416 VanDerWaalsContact C-N 3.27Å; Q414-L416 PolarHBondContact O-N 3.24Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 2.94Å; L416-H419 WeakPolarHBondContact O-CB 3.44Å; L416-H419 PolarHBondContact O-N 3.27Å; L416-R420 WeakPolarHBondContact O-CG 3.46Å; L416-R420 PolarHBondContact O-N 3.31Å; L416-R420 VanDerWaalsContact O-N 3.12Å; L416-D429 HydrophobicContact CB-CB 4.23Å; L416-F432 HydrophobicContact CD1-CB 4.37Å; L416-F432 HydrophobicContact CD1-CD1 3.47Å; L416-F432 VanDerWaalsContact CD1-CD1 3.47Å; L416-F432 HydrophobicContact CD1-CE1 4.16Å; L416-F432 HydrophobicContact CD1-CG 4.3Å; L416-F432 HydrophobicContact CD2-CD1 4.03Å; L416-F432 HydrophobicContact CD2-CE1 3.97Å; L416-F432 HydrophobicContact CG-CD1 4.42Å |
| 417 | A | 95.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 74 Ų | 74 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A413 Q414 H419 R420 G421 I422 V425 | A413-A417 PolarHBondContact O-N 2.93Å; Q414-A417 PolarHBondContact O-N 3.1Å; A417-H419 VanDerWaalsContact C-N 3.33Å; A417-H419 PolarHBondContact O-N 2.98Å; A417-R420 PolarHBondContact O-N 2.89Å; A417-R420 VanDerWaalsContact O-N 3.15Å; A417-G421 PolarHBondContact O-N 3.37Å; A417-I422 CarbonylContact C-O 3.1Å; A417-I422 PolarHBondContact O-N 3.37Å; A417-V425 HydrophobicContact CB-CG2 4.17Å |
| 418 | L | 95.9 | Very high | 94.5 | Very high | 109 Ų | 109 | 74.2 Ų | 74.2 | 57% | 0.571 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.1 | -40.1 | 175.4 | -68.9 | 174.9 | 0 | 0 | 0 | 112.2 | Q414 L416 R420 G421 | Q414-L418 HydrophobicContact CG-CD1 4.34Å; Q414-L418 VanDerWaalsContact O-CG 3.31Å; Q414-L418 WeakPolarHBondContact O-CG 3.27Å; Q414-L418 PolarHBondContact O-N 2.93Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 2.94Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 3.44Å; L418-G421 WeakPolarHBondContact O-CA 3.42Å; L418-G421 PolarHBondContact O-N 3.44Å |
| 419 | H | 94.8 | Very high | 94.5 | Very high | 154 Ų | 154 | 72 Ų | 72 | 71% | 0.713 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.6 | -32.8 | 177.3 | 176.4 | -90.3 | 0 | 0 | 0 | 112.9 | Q415 L416 A417 G421 | Q415-H419 WeakPolarHBondContact O-CB 3.38Å; Q415-H419 PolarHBondContact O-N 3.3Å; L416-H419 WeakPolarHBondContact O-CB 3.44Å; L416-H419 PolarHBondContact O-N 3.27Å; A417-H419 VanDerWaalsContact C-N 3.33Å; A417-H419 PolarHBondContact O-N 2.98Å; H419-G421 PolarHBondContact O-N 2.95Å |
| 420 | R | 92.6 | Very high | 94.4 | Very high | 82 Ų | 82 | 74.2 Ų | 74.2 | 31% | 0.309 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -6.5 | 172.9 | -57.9 | -170.5 | -36.9 | -125.1 | -14.1 | 113.4 | L416 A417 L418 I422 E426 K428 D429 | L416-R420 WeakPolarHBondContact O-CG 3.46Å; L416-R420 PolarHBondContact O-N 3.31Å; L416-R420 VanDerWaalsContact O-N 3.12Å; A417-R420 PolarHBondContact O-N 2.89Å; A417-R420 VanDerWaalsContact O-N 3.15Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 3.44Å; R420-I422 HydrophobicContact CB-CD1 4.41Å; R420-I422 HydrophobicContact CB-CG1 4.23Å; R420-E426 IonicContact CZ-OE2 3.17Å; R420-E426 IonicContact NE-OE2 3.92Å; R420-E426 IonicContact NH1-OE2 3.3Å; R420-E426 IonicContact NH2-OE2 2.66Å; R420-E426 PolarHBondContact NH2-OE2 3.28Å; R420-K428 VanDerWaalsContact NH1-CD 3.33Å; R420-D429 IonicContact CZ-OD1 3.88Å; R420-D429 IonicContact CZ-OD2 3.03Å; R420-D429 VanDerWaalsContact CZ-OD2 3.23Å; R420-D429 IonicContact NH1-OD1 3.33Å; R420-D429 PolarHBondContact NH1-OD1 3.43Å; R420-D429 IonicContact NH1-OD2 3.23Å; R420-D429 PolarHBondContact NH1-OD2 2.93Å; R420-D429 IonicContact NH2-OD1 3.57Å; R420-D429 IonicContact NH2-OD2 2.6Å; R420-D429 PolarHBondContact NH2-OD2 2.93Å |
| 421 | G | 92.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 72.2 Ų | 72.2 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 21.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A417 L418 H419 | A417-G421 PolarHBondContact O-N 3.37Å; L418-G421 WeakPolarHBondContact O-CA 3.42Å; L418-G421 PolarHBondContact O-N 3.44Å; H419-G421 PolarHBondContact O-N 2.95Å |
| 422 | I | 92.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 71.9 Ų | 71.9 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | | | trans | -107.6 | 129.4 | 179.1 | -57.7 | -178.2 | 0 | 0 | 0 | 108.4 | A417 R420 N424 | A417-I422 CarbonylContact C-O 3.1Å; A417-I422 PolarHBondContact O-N 3.37Å; R420-I422 HydrophobicContact CB-CD1 4.41Å; R420-I422 HydrophobicContact CB-CG1 4.23Å; I422-N424 VanDerWaalsContact C-N 3.27Å; I422-N424 HydrophobicContact CG2-CB 4.24Å; I422-N424 WeakPolarHBondContact CG2-O 3.27Å; I422-N424 PolarHBondContact O-N 2.94Å |
| 423 | S | 92.4 | Very high | 94.1 | Very high | 126 Ų | 126 | 68.3 Ų | 68.3 | 88% | 0.881 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -81.6 | -6.5 | -179.7 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 424 | N | 94.9 | Very high | 94 | Very high | 107 Ų | 107 | 69.9 Ų | 69.9 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -110.1 | 133.4 | -179.4 | -165.7 | -71.3 | 0 | 0 | 0 | 110 | I422 E426 | I422-N424 VanDerWaalsContact C-N 3.27Å; I422-N424 HydrophobicContact CG2-CB 4.24Å; I422-N424 WeakPolarHBondContact CG2-O 3.27Å; I422-N424 PolarHBondContact O-N 2.94Å; N424-E426 PolarHBondContact O-N 3.38Å |
| 425 | V | 94.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | | | trans | -78.6 | 115.2 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | A413 Q414 A417 D429 V430 | A413-V425 HydrophobicContact CB-CG1 3.77Å; Q414-V425 HydrophobicContact CB-CG2 4.27Å; A417-V425 HydrophobicContact CB-CG2 4.17Å; V425-D429 HydrophobicContact CG1-CB 4.15Å; V425-V430 HydrophobicContact CG1-CG2 4.28Å |
| 426 | E | 93.1 | Very high | 93.6 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | | | trans | -94.6 | 156.8 | 179.5 | -63.7 | -176.7 | 117.3 | 0 | 0 | 110.1 | R420 N424 K428 D429 | R420-E426 IonicContact CZ-OE2 3.17Å; R420-E426 IonicContact NE-OE2 3.92Å; R420-E426 IonicContact NH1-OE2 3.3Å; R420-E426 IonicContact NH2-OE2 2.66Å; R420-E426 PolarHBondContact NH2-OE2 3.28Å; N424-E426 PolarHBondContact O-N 3.38Å; E426-K428 HydrophobicContact CB-CG 3.97Å; E426-K428 VanDerWaalsContact CD-CE 3.5Å; E426-K428 PolarHBondContact O-N 3.03Å; E426-K428 VanDerWaalsContact O-N 3.07Å; E426-K428 WeakPolarHBondContact OE2-CE 3.44Å; E426-K428 IonicContact OE2-NZ 2.73Å; E426-K428 PolarHBondContact OE2-NZ 2.86Å; E426-D429 PolarHBondContact N-OD2 3.28Å; E426-D429 VanDerWaalsContact O-CB 3.31Å; E426-D429 WeakPolarHBondContact O-CB 3.01Å; E426-D429 PolarHBondContact O-N 3.1Å |
| 427 | A | 93.5 | Very high | 93.4 | Very high | 57 Ų | 57 | 68.6 Ų | 68.6 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.4 | -34.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D429 V430 V431 F445 | A427-D429 PolarHBondContact O-N 3.39Å; A427-V430 PolarHBondContact O-N 3.28Å; A427-V431 WeakPolarHBondContact O-CG2 3.3Å; A427-V431 PolarHBondContact O-N 3.46Å; A427-F445 HydrophobicContact CB-CD1 4.21Å; A427-F445 HydrophobicContact CB-CE1 4.14Å |
| 428 | K | 92 | Very high | 93.4 | Very high | 95 Ų | 95 | 74 Ų | 74 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.3 | -27.3 | 175.2 | 54 | 172.2 | 158.3 | 163.1 | 0 | 114 | R420 E426 F432 | R420-K428 VanDerWaalsContact NH1-CD 3.33Å; E426-K428 HydrophobicContact CB-CG 3.97Å; E426-K428 VanDerWaalsContact CD-CE 3.5Å; E426-K428 PolarHBondContact O-N 3.03Å; E426-K428 VanDerWaalsContact O-N 3.07Å; E426-K428 WeakPolarHBondContact OE2-CE 3.44Å; E426-K428 IonicContact OE2-NZ 2.73Å; E426-K428 PolarHBondContact OE2-NZ 2.86Å; K428-F432 VanDerWaalsContact O-CB 3.29Å; K428-F432 WeakPolarHBondContact O-CB 3.28Å; K428-F432 PolarHBondContact O-N 3.33Å |
| 429 | D | 93.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 75.4 Ų | 75.4 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | 177.9 | -63.1 | -53.5 | 0 | 0 | 0 | 110.9 | A413 L416 R420 V425 E426 A427 C433 | A413-D429 HydrophobicContact CB-CB 4.02Å; L416-D429 HydrophobicContact CB-CB 4.23Å; R420-D429 IonicContact CZ-OD1 3.88Å; R420-D429 IonicContact CZ-OD2 3.03Å; R420-D429 VanDerWaalsContact CZ-OD2 3.23Å; R420-D429 IonicContact NH1-OD1 3.33Å; R420-D429 PolarHBondContact NH1-OD1 3.43Å; R420-D429 IonicContact NH1-OD2 3.23Å; R420-D429 PolarHBondContact NH1-OD2 2.93Å; R420-D429 IonicContact NH2-OD1 3.57Å; R420-D429 IonicContact NH2-OD2 2.6Å; R420-D429 PolarHBondContact NH2-OD2 2.93Å; V425-D429 HydrophobicContact CG1-CB 4.15Å; E426-D429 PolarHBondContact N-OD2 3.28Å; E426-D429 VanDerWaalsContact O-CB 3.31Å; E426-D429 WeakPolarHBondContact O-CB 3.01Å; E426-D429 PolarHBondContact O-N 3.1Å; A427-D429 PolarHBondContact O-N 3.39Å; D429-C433 PolarHBondContact O-N 2.93Å |
| 430 | V | 95.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 71.2 Ų | 71.2 | 33% | 0.327 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.5 | -47.9 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | A413 V425 A427 F432 C433 M434 | A413-V430 HydrophobicContact CB-CG2 3.84Å; V425-V430 HydrophobicContact CG1-CG2 4.28Å; A427-V430 PolarHBondContact O-N 3.28Å; V430-F432 VanDerWaalsContact C-N 3.3Å; V430-F432 PolarHBondContact O-N 3.39Å; V430-C433 WeakPolarHBondContact O-CB 3.42Å; V430-C433 PolarHBondContact O-N 2.95Å; V430-C433 VanDerWaalsContact O-N 3.11Å; V430-M434 HydrophobicContact CG1-CG 4.47Å; V430-M434 HydrophobicContact CG1-SD 4.13Å; V430-M434 WeakPolarHBondContact O-CG 3.41Å; V430-M434 PolarHBondContact O-N 3.4Å |
| 431 | V | 93.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | A427 C433 M434 E435 F445 | A427-V431 WeakPolarHBondContact O-CG2 3.3Å; A427-V431 PolarHBondContact O-N 3.46Å; V431-C433 VanDerWaalsContact C-N 3.33Å; V431-C433 PolarHBondContact O-N 3.28Å; V431-M434 PolarHBondContact O-N 3.11Å; V431-E435 HydrophobicContact CG1-CG 4.37Å; V431-E435 WeakPolarHBondContact O-CG 3.43Å; V431-E435 PolarHBondContact O-N 2.91Å; V431-F445 HydrophobicContact CG2-CB 3.62Å; V431-F445 HydrophobicContact CG2-CD1 4.33Å; V431-F445 HydrophobicContact CG2-CG 4.25Å |
| 432 | F | 92.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 70.5 Ų | 70.5 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 177.2 | -178.6 | -89.2 | 0 | 0 | 0 | 112.5 | L416 K428 V430 R436 | L416-F432 HydrophobicContact CD1-CB 4.37Å; L416-F432 HydrophobicContact CD1-CD1 3.47Å; L416-F432 VanDerWaalsContact CD1-CD1 3.47Å; L416-F432 HydrophobicContact CD1-CE1 4.16Å; L416-F432 HydrophobicContact CD1-CG 4.3Å; L416-F432 HydrophobicContact CD2-CD1 4.03Å; L416-F432 HydrophobicContact CD2-CE1 3.97Å; L416-F432 HydrophobicContact CG-CD1 4.42Å; K428-F432 VanDerWaalsContact O-CB 3.29Å; K428-F432 WeakPolarHBondContact O-CB 3.28Å; K428-F432 PolarHBondContact O-N 3.33Å; V430-F432 VanDerWaalsContact C-N 3.3Å; V430-F432 PolarHBondContact O-N 3.39Å; F432-R436 VanDerWaalsContact O-CB 3.28Å; F432-R436 WeakPolarHBondContact O-CB 3.42Å; F432-R436 PolarHBondContact O-N 3.36Å |
| 433 | C | 93.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | K412 D429 V430 V431 E435 R436 D437 | K412-C433 HydrophobicContact CB-CB 4.49Å; D429-C433 PolarHBondContact O-N 2.93Å; V430-C433 WeakPolarHBondContact O-CB 3.42Å; V430-C433 PolarHBondContact O-N 2.95Å; V430-C433 VanDerWaalsContact O-N 3.11Å; V431-C433 VanDerWaalsContact C-N 3.33Å; V431-C433 PolarHBondContact O-N 3.28Å; C433-E435 PolarHBondContact O-N 3.35Å; C433-R436 PolarHBondContact O-N 3.24Å; C433-D437 WeakPolarHBondContact O-CB 3.36Å; C433-D437 PolarHBondContact O-N 3.35Å |
| 434 | M | 94.4 | Very high | 92.7 | Very high | 34 Ų | 34 | 71.2 Ų | 71.2 | 17% | 0.167 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 179.1 | -68.2 | -178.9 | 73.3 | 0 | 0 | 112.2 | V430 V431 W438 N439 V440 V442 | V430-M434 HydrophobicContact CG1-CG 4.47Å; V430-M434 HydrophobicContact CG1-SD 4.13Å; V430-M434 WeakPolarHBondContact O-CG 3.41Å; V430-M434 PolarHBondContact O-N 3.4Å; V431-M434 PolarHBondContact O-N 3.11Å; M434-W438 CarbonylContact O-C 3.27Å; M434-W438 WeakPolarHBondContact O-CA 3.28Å; M434-W438 WeakPolarHBondContact O-CB 3.4Å; M434-W438 PolarHBondContact O-N 3.04Å; M434-N439 PolarHBondContact O-N 3.03Å; M434-V440 CarbonylContact C-O 3.02Å; M434-V440 VanDerWaalsContact C-O 3.27Å; M434-V440 HydrophobicContact CB-CB 4.32Å; M434-V440 HydrophobicContact CE-CB 4.14Å; M434-V440 HydrophobicContact CE-CG1 3.55Å; M434-V440 PolarHBondContact O-N 2.85Å; M434-V442 HydrophobicContact CE-CG2 3.54Å; M434-V442 HydrophobicContact SD-CG2 3.71Å |
| 435 | E | 92.3 | Very high | 92.1 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.8 | -40.4 | -178.7 | -68.3 | -167.6 | 135.1 | 0 | 0 | 112.7 | V431 C433 N439 V440 I441 R450 | V431-E435 HydrophobicContact CG1-CG 4.37Å; V431-E435 WeakPolarHBondContact O-CG 3.43Å; V431-E435 PolarHBondContact O-N 2.91Å; C433-E435 PolarHBondContact O-N 3.35Å; E435-N439 WeakPolarHBondContact O-CA 3.46Å; E435-V440 WeakPolarHBondContact CA-O 3.48Å; E435-V440 PolarHBondContact N-O 3.37Å; E435-I441 HydrophobicContact CG-CG1 4.44Å; E435-R450 IonicContact OE1-CZ 3.57Å; E435-R450 VanDerWaalsContact OE1-CZ 3.3Å; E435-R450 IonicContact OE1-NH1 3.92Å; E435-R450 PolarHBondContact OE1-NH1 2.84Å; E435-R450 IonicContact OE1-NH2 2.85Å; E435-R450 PolarHBondContact OE1-NH2 2.8Å; E435-R450 IonicContact OE2-CZ 2.82Å; E435-R450 IonicContact OE2-NH1 2.75Å; E435-R450 IonicContact OE2-NH2 2.96Å; E435-R450 PolarHBondContact OE2-NH2 3.05Å |
| 436 | R | 91.1 | Very high | 90.8 | Very high | 142 Ų | 142 | 71 Ų | 71 | 54% | 0.536 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.5 | -42.4 | -173.4 | -170.8 | -177.2 | 62.2 | 65.2 | 10.7 | 113.1 | F432 C433 | F432-R436 VanDerWaalsContact O-CB 3.28Å; F432-R436 WeakPolarHBondContact O-CB 3.42Å; F432-R436 PolarHBondContact O-N 3.36Å; C433-R436 PolarHBondContact O-N 3.24Å |
| 437 | D | 93.1 | Very high | 89.4 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 28% | 0.278 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -94.9 | -37 | -172.9 | -68.4 | -38.9 | 0 | 0 | 0 | 112.6 | K412 C433 | K412-D437 WeakPolarHBondContact CD-OD2 3.43Å; K412-D437 WeakPolarHBondContact CE-OD2 3.48Å; K412-D437 IonicContact NZ-OD1 3.35Å; K412-D437 PolarHBondContact NZ-OD1 2.98Å; K412-D437 IonicContact NZ-OD2 2.72Å; K412-D437 PolarHBondContact NZ-OD2 2.91Å; C433-D437 WeakPolarHBondContact O-CB 3.36Å; C433-D437 PolarHBondContact O-N 3.35Å |
| 438 | W | 94.5 | Very high | 87.4 | Confident | 116 Ų | 116 | 78.4 Ų | 78.4 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -106.2 | -7.5 | -174.6 | -59.6 | 96.6 | 0 | 0 | 0 | 113.1 | F405 M434 V440 | F405-W438 AromaticContact CD2-CD2 3.75Å; F405-W438 HydrophobicContact CD2-CD2 3.75Å; F405-W438 AromaticContact CD2-CE2 3.48Å; F405-W438 VanDerWaalsContact CD2-CE2 3.48Å; F405-W438 HydrophobicContact CD2-CE3 4.07Å; F405-W438 HydrophobicContact CD2-CG 4.34Å; F405-W438 AromaticContact CD2-CH2 3.92Å; F405-W438 HydrophobicContact CD2-CH2 3.92Å; F405-W438 AromaticContact CD2-CZ2 3.59Å; F405-W438 HydrophobicContact CD2-CZ2 3.59Å; F405-W438 HydrophobicContact CD2-CZ3 4.15Å; F405-W438 AromaticContact CD2-NE1 3.9Å; F405-W438 AromaticContact CE2-CD1 3.78Å; F405-W438 AromaticContact CE2-CD2 3.66Å; F405-W438 HydrophobicContact CE2-CD2 3.66Å; F405-W438 AromaticContact CE2-CE2 3.65Å; F405-W438 HydrophobicContact CE2-CE3 4.26Å; F405-W438 AromaticContact CE2-CG 3.76Å; F405-W438 HydrophobicContact CE2-CG 3.76Å; F405-W438 HydrophobicContact CE2-CZ2 4.24Å; F405-W438 AromaticContact CE2-NE1 3.68Å; M434-W438 CarbonylContact O-C 3.27Å; M434-W438 WeakPolarHBondContact O-CA 3.28Å; M434-W438 WeakPolarHBondContact O-CB 3.4Å; M434-W438 PolarHBondContact O-N 3.04Å; W438-V440 HydrophobicContact CB-CB 4.42Å; W438-V440 HydrophobicContact CB-CG2 3.87Å; W438-V440 PolarHBondContact O-N 2.98Å |
| 439 | N | 93 | Very high | 85.7 | Confident | 138 Ų | 138 | 80.9 Ų | 80.9 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | | | trans | 52.4 | 33.1 | -172.7 | -170.5 | 61.6 | 0 | 0 | 0 | 112.1 | M434 E435 | M434-N439 PolarHBondContact O-N 3.03Å; E435-N439 WeakPolarHBondContact O-CA 3.46Å |
| 440 | V | 93.5 | Very high | 83.9 | Confident | 65 Ų | 65 | 88.2 Ų | 88.2 | 39% | 0.394 | 46% | 0.461 | S | S | . | . | | | trans | -99.5 | 124.2 | 176 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | M434 E435 W438 | M434-V440 CarbonylContact C-O 3.02Å; M434-V440 VanDerWaalsContact C-O 3.27Å; M434-V440 HydrophobicContact CB-CB 4.32Å; M434-V440 HydrophobicContact CE-CB 4.14Å; M434-V440 HydrophobicContact CE-CG1 3.55Å; M434-V440 PolarHBondContact O-N 2.85Å; E435-V440 WeakPolarHBondContact CA-O 3.48Å; E435-V440 PolarHBondContact N-O 3.37Å; W438-V440 HydrophobicContact CB-CB 4.42Å; W438-V440 HydrophobicContact CB-CG2 3.87Å; W438-V440 PolarHBondContact O-N 2.98Å |
| 441 | I | 91.9 | Very high | 82.1 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | | | trans | -105.5 | 122.7 | 178.2 | -59.5 | 173.3 | 0 | 0 | 0 | 108.1 | E435 P443 | E435-I441 HydrophobicContact CG-CG1 4.44Å; I441-P443 WeakPolarHBondContact O-CD 3.36Å |
| 442 | V | 89.9 | Confident | 80.4 | Confident | 40 Ų | 40 | 97.1 Ų | 97.1 | 24% | 0.242 | 51% | 0.51 | C | S | . | . | | | trans | -92.3 | 112.5 | 175.8 | -173.2 | 0 | 0 | 0 | 0 | 108.9 | M434 F445 | M434-V442 HydrophobicContact CE-CG2 3.54Å; M434-V442 HydrophobicContact SD-CG2 3.71Å; V442-F445 HydrophobicContact CB-CB 4.31Å; V442-F445 HydrophobicContact CG1-CB 4.27Å; V442-F445 HydrophobicContact CG1-CD2 3.63Å; V442-F445 HydrophobicContact CG1-CE2 4.39Å; V442-F445 HydrophobicContact CG1-CG 4.29Å; V442-F445 PolarHBondContact O-N 2.82Å |
| 443 | P | 89.1 | Confident | 78.8 | Confident | 117 Ų | 117 | 103.1 Ų | 103.1 | 76% | 0.76 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 140.8 | 176.4 | -22.7 | 34.5 | 0 | 0 | 0 | 111.2 | I441 F445 | I441-P443 WeakPolarHBondContact O-CD 3.36Å; P443-F445 PolarHBondContact O-N 2.96Å |
| 444 | G | 87.5 | Confident | 77.5 | Confident | 84 Ų | 84 | 111.8 Ų | 111.8 | 87% | 0.866 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.2 | -17.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 445 | F | 82.8 | Confident | 76.3 | Confident | 115 Ų | 115 | 116.6 Ų | 116.6 | 50% | 0.504 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | -11.3 | 175.9 | -77.2 | -90 | 0 | 0 | 0 | 114.2 | A427 V431 V442 P443 T447 | A427-F445 HydrophobicContact CB-CD1 4.21Å; A427-F445 HydrophobicContact CB-CE1 4.14Å; V431-F445 HydrophobicContact CG2-CB 3.62Å; V431-F445 HydrophobicContact CG2-CD1 4.33Å; V431-F445 HydrophobicContact CG2-CG 4.25Å; V442-F445 HydrophobicContact CB-CB 4.31Å; V442-F445 HydrophobicContact CG1-CB 4.27Å; V442-F445 HydrophobicContact CG1-CD2 3.63Å; V442-F445 HydrophobicContact CG1-CE2 4.39Å; V442-F445 HydrophobicContact CG1-CG 4.29Å; V442-F445 PolarHBondContact O-N 2.82Å; P443-F445 PolarHBondContact O-N 2.96Å; F445-T447 VanDerWaalsContact C-N 3.32Å; F445-T447 PolarHBondContact O-N 2.85Å |
| 446 | A | 67 | Low | 75.3 | Confident | 52 Ų | 52 | 123.5 Ų | 123.5 | 43% | 0.43 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -62.1 | 97.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | E448 | A446-E448 PolarHBondContact O-N 3.23Å; A446-E448 VanDerWaalsContact O-N 3.12Å |
| 447 | T | 63 | Low | 74.8 | Confident | 111 Ų | 111 | 119.7 Ų | 119.7 | 68% | 0.681 | 62% | 0.616 | S | S | * | * | | | trans | -64 | 114.4 | 174.7 | 33.4 | 0 | 0 | 0 | 0 | 107.6 | F445 | F445-T447 VanDerWaalsContact C-N 3.32Å; F445-T447 PolarHBondContact O-N 2.85Å |
| 448 | E | 53.2 | Low | 74.5 | Confident | 174 Ų | 174 | 119.3 Ų | 119.3 | 81% | 0.813 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 45.9 | 103.2 | 137.6 | -176.4 | 177.4 | 138.9 | 0 | 0 | 115.7 | A446 | A446-E448 PolarHBondContact O-N 3.23Å; A446-E448 VanDerWaalsContact O-N 3.12Å |
| 449 | E | 55.2 | Low | 74.3 | Confident | 147 Ų | 147 | 120.3 Ų | 120.3 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | | | trans | 59.5 | 75.7 | 161.7 | -147.4 | -177.9 | -161.9 | 0 | 0 | 113.3 | L451 | E449-L451 HydrophobicContact CG-CD2 3.75Å; E449-L451 HydrophobicContact CG-CG 4.09Å; E449-L451 PolarHBondContact O-N 3.33Å; E449-L451 WeakPolarHBondContact OE1-CD2 3.41Å |
| 450 | R | 56.1 | Low | 74.3 | Confident | 161 Ų | 161 | 117 Ų | 117 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | | | trans | -56.7 | 87.4 | 149.5 | -96.4 | -168 | -178.7 | 94.2 | -3.2 | 106.3 | E435 V452 | E435-R450 IonicContact OE1-CZ 3.57Å; E435-R450 VanDerWaalsContact OE1-CZ 3.3Å; E435-R450 IonicContact OE1-NH1 3.92Å; E435-R450 PolarHBondContact OE1-NH1 2.84Å; E435-R450 IonicContact OE1-NH2 2.85Å; E435-R450 PolarHBondContact OE1-NH2 2.8Å; E435-R450 IonicContact OE2-CZ 2.82Å; E435-R450 IonicContact OE2-NH1 2.75Å; E435-R450 IonicContact OE2-NH2 2.96Å; E435-R450 PolarHBondContact OE2-NH2 3.05Å; R450-V452 PolarHBondContact O-N 2.93Å |
| 451 | L | 58 | Low | 74.3 | Confident | 121 Ų | 121 | 118.1 Ų | 118.1 | 63% | 0.634 | 62% | 0.622 | S | S | * | * | | | trans | -54.5 | 112.4 | 167.4 | -71.9 | 171.2 | 0 | 0 | 0 | 103.1 | E449 R453 | E449-L451 HydrophobicContact CG-CD2 3.75Å; E449-L451 HydrophobicContact CG-CG 4.09Å; E449-L451 PolarHBondContact O-N 3.33Å; E449-L451 WeakPolarHBondContact OE1-CD2 3.41Å; L451-R453 PolarHBondContact O-N 2.7Å |
| 452 | V | 56 | Low | 74.4 | Confident | 134 Ų | 134 | 119.4 Ų | 119.4 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | | | trans | -55.1 | 92.1 | 166.7 | 178.3 | 0 | 0 | 0 | 0 | 104.1 | R450 K454 | R450-V452 PolarHBondContact O-N 2.93Å; V452-K454 PolarHBondContact O-N 2.64Å |
| 453 | R | 60.4 | Low | 74.7 | Confident | 223 Ų | 223 | 122.7 Ų | 122.7 | 84% | 0.842 | 64% | 0.637 | S | S | * | * | | | trans | -71 | 88.4 | -177.1 | -161.3 | -175.8 | -152.3 | 122.7 | 0.9 | 103.3 | L451 N455 | L451-R453 PolarHBondContact O-N 2.7Å; R453-N455 PolarHBondContact O-N 3.03Å; R453-N455 PolarHBondContact O-OD1 3.4Å |
| 454 | K | 64.5 | Low | 75 | Confident | 183 Ų | 183 | 125.2 Ų | 125.2 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | | | trans | -48.4 | 115.1 | 167.5 | -76.1 | 176.4 | 171.7 | 167.6 | 0 | 104.5 | V452 F456 | V452-K454 PolarHBondContact O-N 2.64Å; K454-F456 PolarHBondContact O-N 3.18Å |
| 455 | N | 70.7 | Confident | 75.3 | Confident | 135 Ų | 135 | 124.6 Ų | 124.6 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | | | trans | -50.3 | 109.1 | -178.2 | -63.8 | 36.7 | 0 | 0 | 0 | 106.9 | R453 T457 | R453-N455 PolarHBondContact O-N 3.03Å; R453-N455 PolarHBondContact O-OD1 3.4Å; N455-T457 VanDerWaalsContact C-N 3.3Å; N455-T457 PolarHBondContact O-N 2.92Å |
| 456 | F | 70.8 | Confident | 75.9 | Confident | 187 Ų | 187 | 121.8 Ų | 121.8 | 82% | 0.82 | 61% | 0.606 | S | S | * | * | | | trans | -70.7 | 97.3 | -178.4 | -177 | -95.3 | 0 | 0 | 0 | 106.3 | K454 A458 | K454-F456 PolarHBondContact O-N 3.18Å; F456-A458 HydrophobicContact CE1-CB 4.35Å; F456-A458 PolarHBondContact O-N 3.35Å |
| 457 | T | 79.8 | Confident | 77.2 | Confident | 61 Ų | 61 | 124.6 Ų | 124.6 | 37% | 0.374 | 61% | 0.613 | S | S | . | * | | | trans | -81.3 | 107.5 | 170.3 | 45.7 | 0 | 0 | 0 | 0 | 106.6 | N455 K462 | N455-T457 VanDerWaalsContact C-N 3.3Å; N455-T457 PolarHBondContact O-N 2.92Å; T457-K462 WeakPolarHBondContact O-CE 3.49Å; T457-K462 WeakPolarHBondContact OG1-CE 3.46Å |
| 458 | A | 88 | Confident | 78.7 | Confident | 44 Ų | 44 | 122.4 Ų | 122.4 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | | | trans | -51.6 | 144.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F456 A460 H461 K462 | F456-A458 HydrophobicContact CE1-CB 4.35Å; F456-A458 PolarHBondContact O-N 3.35Å; A458-A460 PolarHBondContact O-N 3.37Å; A458-H461 WeakPolarHBondContact O-CA 3.41Å; A458-H461 VanDerWaalsContact O-CB 3.28Å; A458-H461 WeakPolarHBondContact O-CB 3.4Å; A458-H461 PolarHBondContact O-N 3.15Å; A458-K462 PolarHBondContact O-N 3.46Å; A458-K462 VanDerWaalsContact O-N 3.1Å |
| 459 | E | 90.5 | Very high | 80.7 | Confident | 137 Ų | 137 | 121.3 Ų | 121.3 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -56.3 | -39.8 | -179.2 | -167.7 | -171.4 | 158.2 | 0 | 0 | 111.6 | H461 K462 Q463 | E459-H461 VanDerWaalsContact C-N 3.26Å; E459-H461 PolarHBondContact O-N 2.98Å; E459-K462 WeakPolarHBondContact O-CA 3.3Å; E459-K462 WeakPolarHBondContact O-CB 3.29Å; E459-K462 PolarHBondContact O-N 3.28Å; E459-Q463 HydrophobicContact CG-CG 4.5Å; E459-Q463 WeakPolarHBondContact O-CG 3.18Å; E459-Q463 PolarHBondContact O-N 3Å; E459-Q463 PolarHBondContact OE1-NE2 3.36Å |
| 460 | A | 92.6 | Very high | 82.6 | Confident | 70 Ų | 70 | 122 Ų | 122 | 58% | 0.579 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -56.2 | -38 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A458 R464 | A458-A460 PolarHBondContact O-N 3.37Å; A460-R464 WeakPolarHBondContact O-CB 3.39Å; A460-R464 PolarHBondContact O-N 3.26Å |
| 461 | H | 93.7 | Very high | 84.4 | Confident | 87 Ų | 87 | 120.6 Ų | 120.6 | 40% | 0.403 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.1 | -41.5 | 174.9 | -175.6 | 72.2 | 0 | 0 | 0 | 111.3 | A458 E459 R464 L465 | A458-H461 WeakPolarHBondContact O-CA 3.41Å; A458-H461 VanDerWaalsContact O-CB 3.28Å; A458-H461 WeakPolarHBondContact O-CB 3.4Å; A458-H461 PolarHBondContact O-N 3.15Å; E459-H461 VanDerWaalsContact C-N 3.26Å; E459-H461 PolarHBondContact O-N 2.98Å; H461-R464 PolarHBondContact O-N 3.12Å; H461-L465 WeakPolarHBondContact NE2-CD1 3.47Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 2.6Å |
| 462 | K | 94.3 | Very high | 86 | Confident | 125 Ų | 125 | 119.9 Ų | 119.9 | 54% | 0.543 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.5 | -44.4 | 174.9 | -63.4 | -178.8 | -179 | 177.9 | 0 | 111.6 | T457 A458 E459 L465 A466 | T457-K462 WeakPolarHBondContact O-CE 3.49Å; T457-K462 WeakPolarHBondContact OG1-CE 3.46Å; A458-K462 PolarHBondContact O-N 3.46Å; A458-K462 VanDerWaalsContact O-N 3.1Å; E459-K462 WeakPolarHBondContact O-CA 3.3Å; E459-K462 WeakPolarHBondContact O-CB 3.29Å; E459-K462 PolarHBondContact O-N 3.28Å; K462-L465 PolarHBondContact O-N 2.87Å; K462-A466 WeakPolarHBondContact O-CB 3.46Å; K462-A466 PolarHBondContact O-N 3.29Å |
| 463 | Q | 95.1 | Very high | 87.7 | Confident | 108 Ų | 108 | 122.2 Ų | 122.2 | 51% | 0.505 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -45.7 | 176.6 | -68.7 | 176 | 8.7 | 0 | 0 | 111.5 | E459 L465 A466 L467 | E459-Q463 HydrophobicContact CG-CG 4.5Å; E459-Q463 WeakPolarHBondContact O-CG 3.18Å; E459-Q463 PolarHBondContact O-N 3Å; E459-Q463 PolarHBondContact OE1-NE2 3.36Å; Q463-L465 PolarHBondContact O-N 3.07Å; Q463-A466 WeakPolarHBondContact O-CB 3.49Å; Q463-A466 PolarHBondContact O-N 2.83Å; Q463-A466 VanDerWaalsContact O-N 3.16Å; Q463-L467 PolarHBondContact O-N 2.62Å |
| 464 | R | 95.7 | Very high | 88.8 | Confident | 170 Ų | 170 | 120.8 Ų | 120.8 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.8 | -48.2 | 174.6 | -178.7 | 178.8 | 177.2 | -177.1 | -0.8 | 111.6 | A460 H461 A466 L467 I468 | A460-R464 WeakPolarHBondContact O-CB 3.39Å; A460-R464 PolarHBondContact O-N 3.26Å; H461-R464 PolarHBondContact O-N 3.12Å; R464-A466 VanDerWaalsContact C-N 3.29Å; R464-A466 PolarHBondContact O-N 2.75Å; R464-L467 PolarHBondContact O-N 3.03Å; R464-I468 HydrophobicContact CG-CD1 3.96Å; R464-I468 WeakPolarHBondContact O-CG1 3.31Å; R464-I468 PolarHBondContact O-N 2.92Å |
| 465 | L | 94.8 | Very high | 89 | Confident | 72 Ų | 72 | 121.6 Ų | 121.6 | 38% | 0.377 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -36.7 | 176.9 | -72.5 | 179.7 | 0 | 0 | 0 | 112.1 | H461 K462 Q463 I468 K469 | H461-L465 WeakPolarHBondContact NE2-CD1 3.47Å; H461-L465 WeakPolarHBondContact O-CG 3.31Å; H461-L465 PolarHBondContact O-N 2.6Å; K462-L465 PolarHBondContact O-N 2.87Å; Q463-L465 PolarHBondContact O-N 3.07Å; L465-I468 PolarHBondContact O-N 2.91Å; L465-K469 WeakPolarHBondContact O-CB 3.08Å; L465-K469 VanDerWaalsContact O-CG 3.27Å; L465-K469 WeakPolarHBondContact O-CG 3.45Å; L465-K469 PolarHBondContact O-N 3.49Å |
| 466 | A | 93.9 | Very high | 89.9 | Confident | 56 Ų | 56 | 121 Ų | 121 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K462 Q463 R464 K469 K470 | K462-A466 WeakPolarHBondContact O-CB 3.46Å; K462-A466 PolarHBondContact O-N 3.29Å; Q463-A466 WeakPolarHBondContact O-CB 3.49Å; Q463-A466 PolarHBondContact O-N 2.83Å; Q463-A466 VanDerWaalsContact O-N 3.16Å; R464-A466 VanDerWaalsContact C-N 3.29Å; R464-A466 PolarHBondContact O-N 2.75Å; A466-K469 PolarHBondContact O-N 3.41Å; A466-K470 WeakPolarHBondContact O-CB 3.46Å; A466-K470 PolarHBondContact O-N 3.25Å |
| 467 | L | 94.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 117.5 Ų | 117.5 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.2 | -43.3 | 174.9 | -70.4 | 175 | 0 | 0 | 0 | 111.8 | Q463 R464 K470 Q471 | Q463-L467 PolarHBondContact O-N 2.62Å; R464-L467 PolarHBondContact O-N 3.03Å; L467-K470 PolarHBondContact O-N 3.12Å; L467-Q471 WeakPolarHBondContact O-CG 3.42Å; L467-Q471 PolarHBondContact O-N 3.48Å |
| 468 | I | 95.2 | Very high | 91.5 | Very high | 65 Ų | 65 | 120.6 Ų | 120.6 | 33% | 0.333 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.6 | -47.5 | 175.3 | -67.4 | 166.4 | 0 | 0 | 0 | 110.4 | R464 L465 K470 Q471 I472 | R464-I468 HydrophobicContact CG-CD1 3.96Å; R464-I468 WeakPolarHBondContact O-CG1 3.31Å; R464-I468 PolarHBondContact O-N 2.92Å; L465-I468 PolarHBondContact O-N 2.91Å; I468-K470 VanDerWaalsContact C-N 3.29Å; I468-K470 PolarHBondContact O-N 3.11Å; I468-Q471 PolarHBondContact O-N 3.41Å; I468-Q471 VanDerWaalsContact O-N 3.16Å; I468-I472 HydrophobicContact CG2-CD1 3.72Å; I468-I472 HydrophobicContact CG2-CG1 4.38Å; I468-I472 WeakPolarHBondContact O-CG1 2.72Å; I468-I472 PolarHBondContact O-N 3.47Å |
| 469 | K | 95.1 | Very high | 91.7 | Very high | 151 Ų | 151 | 125.1 Ų | 125.1 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.4 | -40.8 | 175.6 | -75.1 | 174.9 | -178.7 | -176.9 | 0 | 112.1 | L465 A466 K473 | L465-K469 WeakPolarHBondContact O-CB 3.08Å; L465-K469 VanDerWaalsContact O-CG 3.27Å; L465-K469 WeakPolarHBondContact O-CG 3.45Å; L465-K469 PolarHBondContact O-N 3.49Å; A466-K469 PolarHBondContact O-N 3.41Å; K469-K473 WeakPolarHBondContact O-CB 3.49Å; K469-K473 PolarHBondContact O-N 2.66Å |
| 470 | K | 95.1 | Very high | 91.8 | Very high | 160 Ų | 160 | 124.4 Ų | 124.4 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.3 | -37.9 | 177 | -171.8 | 177.3 | 179.4 | 178.1 | 0 | 112.1 | A466 L467 I468 K474 | A466-K470 WeakPolarHBondContact O-CB 3.46Å; A466-K470 PolarHBondContact O-N 3.25Å; L467-K470 PolarHBondContact O-N 3.12Å; I468-K470 VanDerWaalsContact C-N 3.29Å; I468-K470 PolarHBondContact O-N 3.11Å; K470-K474 PolarHBondContact O-N 2.73Å |
| 471 | Q | 92.6 | Very high | 91.7 | Very high | 133 Ų | 133 | 128 Ų | 128 | 62% | 0.621 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.1 | -44.3 | 176.3 | -74.5 | 178.8 | -20.2 | 0 | 0 | 112 | L467 I468 K473 K474 M475 | L467-Q471 WeakPolarHBondContact O-CG 3.42Å; L467-Q471 PolarHBondContact O-N 3.48Å; I468-Q471 PolarHBondContact O-N 3.41Å; I468-Q471 VanDerWaalsContact O-N 3.16Å; Q471-K473 VanDerWaalsContact C-N 3.27Å; Q471-K473 PolarHBondContact O-N 3.35Å; Q471-K474 PolarHBondContact O-N 3.34Å; Q471-K474 VanDerWaalsContact O-N 3.14Å; Q471-M475 PolarHBondContact O-N 3.48Å |
| 472 | I | 93.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 130.9 Ų | 130.9 | 54% | 0.544 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.9 | -34.9 | 176.5 | -65.3 | 167.8 | 0 | 0 | 0 | 111.4 | I468 K474 M475 | I468-I472 HydrophobicContact CG2-CD1 3.72Å; I468-I472 HydrophobicContact CG2-CG1 4.38Å; I468-I472 WeakPolarHBondContact O-CG1 2.72Å; I468-I472 PolarHBondContact O-N 3.47Å; I472-K474 VanDerWaalsContact C-N 3.3Å; I472-K474 PolarHBondContact O-N 3.34Å; I472-M475 VanDerWaalsContact O-OXT 3.11Å |
| 473 | K | 90.5 | Very high | 91.4 | Very high | 182 Ų | 182 | 131.4 Ų | 131.4 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.7 | -20.3 | 177.4 | -172.7 | 60 | 173.2 | -179.8 | 0 | 113.8 | K469 Q471 | K469-K473 WeakPolarHBondContact O-CB 3.49Å; K469-K473 PolarHBondContact O-N 2.66Å; Q471-K473 VanDerWaalsContact C-N 3.27Å; Q471-K473 PolarHBondContact O-N 3.35Å |
| 474 | K | 84.2 | Confident | 91.1 | Very high | 193 Ų | 193 | 133.3 Ų | 133.3 | 84% | 0.839 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -88.5 | -24.8 | -179.5 | -172.7 | 179.6 | 175.7 | -174.3 | 0 | 112.4 | K470 Q471 I472 | K470-K474 PolarHBondContact O-N 2.73Å; Q471-K474 PolarHBondContact O-N 3.34Å; Q471-K474 VanDerWaalsContact O-N 3.14Å; I472-K474 VanDerWaalsContact C-N 3.3Å; I472-K474 PolarHBondContact O-N 3.34Å |
| 475 | M | 67.8 | Low | 90.7 | Very high | 201 Ų | 201 | 130 Ų | 130 | 99% | 0.99 | 63% | 0.627 | S | S | * | * | | | trans | -78.3 | 0 | 165.8 | -60.7 | -172.1 | -60 | 0 | 0 | 109.4 | Q471 I472 | Q471-M475 PolarHBondContact O-N 3.48Å; I472-M475 VanDerWaalsContact O-OXT 3.11Å |