| 1 | A | 41.4 | Very low | 42.4 | Very low | 146 Ų | 146 | 165.7 Ų | 165.7 | 100% | 1.207 | 87% | 0.87 | S | S | * | * | | | | 0 | 92.7 | 0 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 2 | E | 42.4 | Very low | 41.8 | Very low | 188 Ų | 188 | 162.7 Ų | 162.7 | 88% | 0.879 | 86% | 0.855 | S | S | * | * | | | cis | -134.9 | 133.5 | 1.3 | -70.8 | 169.4 | 146.1 | 0 | 0 | 108.9 | | |
| 3 | E | 42.9 | Very low | 41.9 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 92% | 0.916 | 86% | 0.856 | S | S | * | * | | | trans | -106.2 | 131 | 163.3 | -68.5 | 174.3 | 123.4 | 0 | 0 | 104.7 | | |
| 4 | E | 53.6 | Low | 41.9 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | | | trans | -132.3 | 133.8 | 167.7 | -70.7 | -159.3 | 139.1 | 0 | 0 | 109.4 | | |
| 5 | D | 42 | Very low | 41.6 | Very low | 162 Ų | 162 | 158 Ų | 158 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | | | trans | -65.8 | 146.7 | 179.8 | -76.6 | -65.4 | 0 | 0 | 0 | 112.3 | | |
| 6 | M | 37.1 | Very low | 41.4 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | | | trans | -118.8 | 79.5 | 158.6 | -170.2 | 167 | 63 | 0 | 0 | 108.6 | | |
| 7 | A | 43.7 | Very low | 41.1 | Very low | 70 Ų | 70 | 161.4 Ų | 161.4 | 58% | 0.579 | 85% | 0.854 | S | S | * | * | | | trans | -68.5 | 149 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 8 | D | 38.3 | Very low | 41 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | | | trans | -62 | 144.3 | 173.4 | -75.6 | -63.8 | 0 | 0 | 0 | 112.4 | | |
| 9 | F | 42.1 | Very low | 40.7 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 82% | 0.816 | 85% | 0.854 | S | S | * | * | | | trans | -128.8 | 81.8 | 164.6 | -85 | -84.9 | 0 | 0 | 0 | 109.7 | | |
| 10 | E | 40.9 | Very low | 40.4 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | | | trans | -61 | 133.4 | 152.4 | -66.3 | -168.8 | 119.1 | 0 | 0 | 108.3 | | |
| 11 | I | 41.6 | Very low | 40.3 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | | | trans | -103.8 | 111.1 | 175 | -63.5 | 178.6 | 0 | 0 | 0 | 107.8 | | |
| 12 | D | 35.7 | Very low | 40 | Very low | 129 Ų | 129 | 157.6 Ų | 157.6 | 69% | 0.69 | 82% | 0.824 | S | S | * | * | | | trans | -59.2 | 148.9 | -178.4 | -173 | 12.4 | 0 | 0 | 0 | 112.7 | E14 | D12-E14 PolarHBondContact OD1-N 3.44Å; D12-E14 VanDerWaalsContact OD1-N 3.16Å |
| 13 | V | 42.6 | Very low | 40.2 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | | | trans | -121.1 | 22.5 | -175.8 | -166.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 14 | E | 42.3 | Very low | 40.7 | Very low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | | | trans | -125.5 | 62.3 | 179.2 | -157.1 | 155.4 | -159.8 | 0 | 0 | 113.8 | D12 | D12-E14 PolarHBondContact OD1-N 3.44Å; D12-E14 VanDerWaalsContact OD1-N 3.16Å |
| 15 | S | 37.6 | Very low | 39.7 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -153.7 | 95.2 | 166.3 | -82.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 16 | L | 38.7 | Very low | 39.2 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | 169.3 | 67.5 | 145.8 | -94.6 | 167.6 | 0 | 0 | 0 | 112.7 | | |
| 17 | E | 35.9 | Very low | 39 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -137.3 | 147.6 | 153.2 | -76.6 | -154.9 | 138.2 | 0 | 0 | 110.5 | | |
| 18 | A | 40.1 | Very low | 38.7 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 62.3 | 109.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 19 | E | 34.6 | Very low | 38.4 | Very low | 199 Ų | 199 | 148.7 Ų | 148.7 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | | -129.8 | 155 | 116.3 | -81.5 | -141.8 | 92.5 | 0 | 0 | 109.2 | | |
| 20 | S | 35.6 | Very low | 38 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -100.3 | -167.1 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 21 | D | 36.9 | Very low | 37.7 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | | | cis | -154.3 | -179.9 | -2.3 | -141.4 | -53.7 | 0 | 0 | 0 | 108 | | |
| 22 | E | 35.3 | Very low | 37.2 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | 167.2 | 130.9 | 145.7 | -84.4 | -118.8 | 106.7 | 0 | 0 | 111.4 | | |
| 23 | L | 46.4 | Very low | 37.5 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | | | trans | -152 | 170.4 | 179.8 | -89 | 174.8 | 0 | 0 | 0 | 107.1 | | |
| 24 | P | 53.2 | Low | 36.9 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | cis | -115.3 | -143.3 | 12.7 | 15.9 | 12.3 | 0 | 0 | 0 | 111 | | |
| 25 | E | 33.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | cis | -152.5 | 179.2 | 12.3 | -114.5 | -37.7 | -23.1 | 0 | 0 | 112.1 | | |
| 26 | D | 31.1 | Very low | 36.5 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 77% | 0.765 | 81% | 0.814 | S | S | * | * | | | trans | 57.6 | 101.1 | 153.3 | -80.2 | -33.5 | 0 | 0 | 0 | 118.8 | | |
| 27 | S | 32.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | | -172.6 | 138.3 | 97.2 | -164.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 28 | M | 37.6 | Very low | 36.5 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -90.6 | 126.4 | -175.1 | -177.2 | 88.1 | 78.4 | 0 | 0 | 112.5 | | |
| 29 | C | 32.1 | Very low | 36.1 | Very low | 137 Ų | 137 | 135 Ų | 135 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -154.5 | 85.1 | 155.1 | -109 | 0 | 0 | 0 | 0 | 113.5 | | |
| 30 | C | 34.4 | Very low | 36.1 | Very low | 114 Ų | 114 | 135 Ų | 135 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -92.4 | 133.4 | 161.7 | -77.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 31 | S | 34 | Very low | 36.1 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -157.4 | 131 | 156.1 | -87.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 32 | R | 31 | Very low | 36.4 | Very low | 240 Ų | 240 | 139.3 Ų | 139.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -120.1 | 153.6 | 161.9 | -97.3 | -179.6 | 64.7 | -162.7 | -2.4 | 107.8 | | |
| 33 | P | 42.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | | | trans | -81.2 | 154.3 | -158.9 | 31.9 | -37.7 | 0 | 0 | 0 | 114.3 | | |
| 34 | G | 30.1 | Very low | 36.2 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | | | trans | -174.3 | 139.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 35 | S | 33.3 | Very low | 35.5 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | | | trans | 72.7 | 151.6 | 167.7 | -52.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 36 | A | 38.1 | Very low | 35.7 | Very low | 88 Ų | 88 | 134.9 Ų | 134.9 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | -132.7 | 154.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 37 | P | 41.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | | | | -111.5 | 155.5 | 128.3 | -5.1 | 26.1 | 0 | 0 | 0 | 109.6 | | |
| 38 | I | 33.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | | | cis | 72.9 | 120.2 | 47.2 | -57.3 | 173.5 | 0 | 0 | 0 | 112.4 | | |
| 39 | G | 31.4 | Very low | 36.7 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | | | trans | 86.3 | 152.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 40 | E | 34.2 | Very low | 37.1 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | | | cis | -139.5 | 166.1 | -7 | -66.5 | -172.9 | -131.9 | 0 | 0 | 110.3 | | |
| 41 | D | 36.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -83.1 | 146.4 | -174.9 | -174.7 | -153.2 | 0 | 0 | 0 | 111.9 | | |
| 42 | D | 41.6 | Very low | 37.9 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -174.2 | 119.7 | 151.4 | -111.2 | -27 | 0 | 0 | 0 | 108.4 | | |
| 43 | G | 38.4 | Very low | 39 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | -129.7 | 144.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | D | 40.2 | Very low | 39.3 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 94% | 0.941 | 81% | 0.813 | S | S | * | * | | | trans | -139.7 | 151.1 | 160.4 | -169.9 | -106.4 | 0 | 0 | 0 | 108.8 | | |
| 45 | G | 37.5 | Very low | 39.8 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | -177.8 | 138.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 46 | D | 38.7 | Very low | 40.6 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | trans | -154.2 | 147.2 | 171.9 | -172.4 | 61.9 | 0 | 0 | 0 | 108.4 | | |
| 47 | G | 39.8 | Very low | 41.3 | Very low | 57 Ų | 57 | 127.8 Ų | 127.8 | 59% | 0.588 | 82% | 0.815 | S | S | * | * | | | cis | -178.8 | 127.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 48 | G | 40 | Very low | 41.3 | Very low | 84 Ų | 84 | 125.7 Ų | 125.7 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | 71.5 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 49 | K | 42.1 | Very low | 42 | Very low | 212 Ų | 212 | 126 Ų | 126 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | | | cis | -171.7 | 136.8 | -7.4 | -175.6 | 176.7 | -178.2 | 178.4 | 0 | 106.2 | | |
| 50 | G | 39.6 | Very low | 42.6 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | | | cis | -172.8 | -156.5 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 51 | D | 46.3 | Very low | 43.4 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | | | trans | 67.2 | 125 | 163.1 | -59.9 | -66.7 | 0 | 0 | 0 | 121.4 | | |
| 52 | G | 38.6 | Very low | 43.8 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | 135 | 45.1 | 130.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 53 | K | 54.4 | Low | 44 | Very low | 209 Ų | 209 | 117.6 Ų | 117.6 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | 76 | 143.7 | 151.3 | -155.9 | 169.8 | -175.2 | 172.2 | 0 | 118.4 | | |
| 54 | P | 49.5 | Very low | 44.5 | Very low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | | | trans | -94.2 | 156.1 | -170.5 | 36.4 | -36.8 | 0 | 0 | 0 | 116 | | |
| 55 | G | 39.8 | Very low | 45.2 | Very low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -147 | 153.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 56 | P | 50.5 | Low | 45.9 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -82.4 | 134.5 | -160.4 | 30.4 | -35.8 | 0 | 0 | 0 | 115.9 | | |
| 57 | S | 52.1 | Low | 46.7 | Very low | 128 Ų | 128 | 125 Ų | 125 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | 43.3 | 74.3 | 139.5 | -53.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 58 | G | 41.5 | Very low | 47.9 | Very low | 72 Ų | 72 | 127.7 Ų | 127.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -123.1 | 16.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S60 | G58-S60 PolarHBondContact O-N 3.38Å; G58-S60 VanDerWaalsContact O-N 3.09Å |
| 59 | L | 48.9 | Very low | 50.1 | Low | 175 Ų | 175 | 134.7 Ų | 134.7 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | trans | -77.8 | 90.2 | -171.9 | -68.6 | 176.2 | 0 | 0 | 0 | 114 | | |
| 60 | S | 45.2 | Very low | 52.3 | Low | 112 Ų | 112 | 128.9 Ų | 128.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | trans | -176.4 | 161.2 | 148.1 | -93.3 | 0 | 0 | 0 | 0 | 115.9 | G58 | G58-S60 PolarHBondContact O-N 3.38Å; G58-S60 VanDerWaalsContact O-N 3.09Å |
| 61 | S | 51 | Low | 54.9 | Low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | | | trans | 76 | 24.7 | 161 | -56 | 0 | 0 | 0 | 0 | 119.3 | | |
| 62 | G | 44.5 | Very low | 57.2 | Low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -63.3 | -49.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 63 | D | 45.2 | Very low | 60 | Low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.4 | 57 | -163.4 | -156.4 | 0.2 | 0 | 0 | 0 | 114.8 | | |
| 64 | Q | 49.7 | Very low | 62.1 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | | | trans | -118.4 | 15 | 175.9 | -81.4 | -86.4 | 22 | 0 | 0 | 112.3 | | |
| 65 | R | 53.4 | Low | 64.4 | Low | 207 Ų | 207 | 112.4 Ų | 112.4 | 78% | 0.781 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -106.6 | 8.2 | -163 | -74.1 | -168.7 | -75.1 | 177.7 | -4.1 | 116.6 | | |
| 66 | K | 52 | Low | 67.1 | Low | 186 Ų | 186 | 109.2 Ų | 109.2 | 81% | 0.809 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -130.8 | -0.5 | 170.8 | -78.5 | 93.7 | -175.9 | -69.8 | 0 | 116 | S68 | K66-S68 PolarHBondContact O-N 3.37Š|
| 67 | L | 57.4 | Low | 69.4 | Low | 130 Ų | 130 | 111.2 Ų | 111.2 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | | | trans | -67.3 | 106.2 | 173.2 | -64.3 | -179.1 | 0 | 0 | 0 | 110.2 | R69 | L67-R69 PolarHBondContact O-N 3.09Š|
| 68 | S | 64.4 | Low | 71.5 | Confident | 114 Ų | 114 | 106.9 Ų | 106.9 | 80% | 0.797 | 57% | 0.572 | S | S | * | * | | | trans | -64 | 99.3 | -176.7 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | K66 T70 | K66-S68 PolarHBondContact O-N 3.37Å; S68-T70 PolarHBondContact O-N 3.03Å |
| 69 | R | 86.8 | Confident | 74.2 | Confident | 230 Ų | 230 | 106.5 Ų | 106.5 | 87% | 0.868 | 55% | 0.551 | S | S | * | * | | | trans | -56.9 | 107.1 | -172.1 | -64.5 | -172.7 | -176.6 | -81.9 | 4.1 | 111.3 | L67 | L67-R69 PolarHBondContact O-N 3.09Š|
| 70 | T | 86.7 | Confident | 76.5 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | | | trans | -49.8 | 128.8 | -179.6 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | S68 | S68-T70 PolarHBondContact O-N 3.03Š|
| 71 | P | 94.1 | Very high | 79 | Confident | 82 Ų | 82 | 99 Ų | 99 | 53% | 0.532 | 52% | 0.522 | S | S | . | . | | | trans | -61.5 | 140.8 | -177.7 | 23.5 | -33.3 | 0 | 0 | 0 | 111.4 | L85 | P71-L85 HydrophobicContact CB-CB 4.17Å; P71-L85 HydrophobicContact CB-CD2 4.05Å; P71-L85 HydrophobicContact CG-CB 4.28Å; P71-L85 HydrophobicContact CG-CD2 4.43Å; P71-L85 VanDerWaalsContact O-CB 3.26Å; P71-L85 WeakPolarHBondContact O-CB 3.36Å; P71-L85 PolarHBondContact O-N 3.06Å |
| 72 | K | 96.1 | Very high | 81.2 | Confident | 132 Ų | 132 | 98.9 Ų | 98.9 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | B | Isolated β-bridge | trans | -108.8 | 150.2 | -178.6 | -71.7 | 171.9 | 169.3 | -173 | 0 | 110.7 | A74 V82 S83 | K72-A74 PolarHBondContact O-N 3.23Å; K72-V82 HydrophobicContact CD-CG1 3.75Å; K72-V82 HydrophobicContact CG-CG1 4.29Å; K72-S83 CarbonylContact C-O 3.29Å; K72-S83 WeakPolarHBondContact CA-O 3.49Å |
| 73 | C | 97.3 | Very high | 83.6 | Confident | 10 Ų | 10 | 97.2 Ų | 97.2 | 7% | 0.068 | 50% | 0.495 | C | S | . | . | | | trans | -68.8 | 116.4 | 178 | -173.9 | 0 | 0 | 0 | 0 | 111.1 | C76 R77 S83 L85 H88 | C73-C76 HydrophobicContact CB-CB 4.1Å; C73-R77 WeakPolarHBondContact O-CB 3.42Å; C73-R77 PolarHBondContact O-N 3.34Å; C73-S83 PolarHBondContact N-O 3.43Å; C73-L85 HydrophobicContact CB-CD1 4.47Å; C73-H88 VanDerWaalsContact SG-CD2 3.54Å |
| 74 | A | 97.2 | Very high | 86 | Confident | 35 Ų | 35 | 93.9 Ų | 93.9 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K72 R77 N78 V105 | K72-A74 PolarHBondContact O-N 3.23Å; A74-R77 PolarHBondContact O-N 3.16Å; A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.45Å; A74-N78 VanDerWaalsContact O-N 3.15Å; A74-N78 PolarHBondContact O-OD1 3.08Å; A74-V105 HydrophobicContact CB-CG1 3.88Å; A74-V105 HydrophobicContact CB-CG2 4.07Å |
| 75 | R | 97.8 | Very high | 88.1 | Confident | 40 Ų | 40 | 91.8 Ų | 91.8 | 15% | 0.151 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.7 | -52.1 | 177.7 | -77 | 173 | 164.5 | -81.1 | 2.4 | 111.4 | R77 N78 H79 W94 R95 C97 | R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 2.72Å; R75-N78 WeakPolarHBondContact O-CB 3.4Å; R75-N78 PolarHBondContact O-N 2.97Å; R75-H79 PolarHBondContact O-CD2 2.99Å; R75-H79 VanDerWaalsContact O-CD2 3.31Å; R75-W94 HydrophobicContact CB-CB 4.37Å; R75-W94 WeakPolarHBondContact CD-O 3.39Å; R75-W94 PolarHBondContact NH1-O 3.49Å; R75-R95 PolarHBondContact NE-O 2.82Å; R75-R95 VanDerWaalsContact NE-O 3.11Å; R75-R95 PolarHBondContact NH1-O 3.2Å; R75-R95 VanDerWaalsContact NH1-O 3.08Å; R75-R95 PolarHBondContact NH2-O 3.2Å; R75-C97 PolarHBondContact NH1-O 3.37Å |
| 76 | C | 98 | Very high | 90 | Very high | 0 Ų | 0 | 91.3 Ų | 91.3 | 0% | 0 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | C73 N78 H79 G80 V81 H88 W94 | C73-C76 HydrophobicContact CB-CB 4.1Å; C76-N78 PolarHBondContact O-N 2.81Å; C76-H79 CarbonylContact O-C 3.53Å; C76-H79 VanDerWaalsContact O-C 3.29Å; C76-H79 WeakPolarHBondContact O-CA 3.39Å; C76-H79 PolarHBondContact O-N 3.36Å; C76-G80 PolarHBondContact O-N 2.98Å; C76-V81 CarbonylContact C-O 3.49Å; C76-V81 HydrophobicContact CB-CB 4.48Å; C76-V81 WeakPolarHBondContact CB-O 3.09Å; C76-V81 PolarHBondContact O-N 2.95Å; C76-V81 VanDerWaalsContact O-O 3.06Å; C76-H88 PolarHBondContact SG-NE2 3.18Å; C76-W94 HydrophobicContact CB-CE3 3.98Å; C76-W94 HydrophobicContact CB-CZ3 3.87Å; C76-W94 VanDerWaalsContact SG-CE3 3.5Å |
| 77 | R | 97.6 | Very high | 92 | Very high | 167 Ų | 167 | 85.2 Ų | 85.2 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.5 | -34.2 | 179.9 | -170.6 | -164.5 | 66.7 | 127.7 | 9.5 | 112 | C73 A74 R75 H79 G80 V81 | C73-R77 WeakPolarHBondContact O-CB 3.42Å; C73-R77 PolarHBondContact O-N 3.34Å; A74-R77 PolarHBondContact O-N 3.16Å; R75-R77 VanDerWaalsContact C-N 3.33Å; R75-R77 PolarHBondContact O-N 2.72Å; R77-H79 PolarHBondContact O-N 3.44Å; R77-G80 PolarHBondContact O-N 3.31Å; R77-V81 PolarHBondContact N-O 3.43Å; R77-V81 VanDerWaalsContact N-O 3.16Å |
| 78 | N | 97.7 | Very high | 93.9 | Very high | 37 Ų | 37 | 80.4 Ų | 80.4 | 20% | 0.198 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.3 | -17 | 174.7 | -64 | -8.8 | 0 | 0 | 0 | 113.3 | A74 R75 C76 N101 V105 | A74-N78 VanDerWaalsContact O-CG 3.22Å; A74-N78 PolarHBondContact O-N 3.45Å; A74-N78 VanDerWaalsContact O-N 3.15Å; A74-N78 PolarHBondContact O-OD1 3.08Å; R75-N78 WeakPolarHBondContact O-CB 3.4Å; R75-N78 PolarHBondContact O-N 2.97Å; C76-N78 PolarHBondContact O-N 2.81Å; N78-N101 HydrophobicContact CB-CB 4.05Å; N78-N101 VanDerWaalsContact ND2-C 3.3Å; N78-N101 PolarHBondContact ND2-O 2.91Å; N78-V105 WeakPolarHBondContact ND2-CG2 3.49Å |
| 79 | H | 98.1 | Very high | 95.3 | Very high | 65 Ų | 65 | 83.2 Ų | 83.2 | 30% | 0.301 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 26.8 | 175.1 | -63.9 | -80.9 | 0 | 0 | 0 | 112 | R75 C76 R77 V81 W94 C97 C102 | R75-H79 PolarHBondContact O-CD2 2.99Å; R75-H79 VanDerWaalsContact O-CD2 3.31Å; C76-H79 CarbonylContact O-C 3.53Å; C76-H79 VanDerWaalsContact O-C 3.29Å; C76-H79 WeakPolarHBondContact O-CA 3.39Å; C76-H79 PolarHBondContact O-N 3.36Å; R77-H79 PolarHBondContact O-N 3.44Å; H79-V81 PolarHBondContact O-N 3.45Å; H79-V81 VanDerWaalsContact O-N 3.16Å; H79-W94 HydrophobicContact CB-CD2 4.06Å; H79-W94 HydrophobicContact CB-CG 4.39Å; H79-W94 HydrophobicContact CB-CZ2 3.81Å; H79-W94 AromaticContact CD2-CD1 3.23Å; H79-W94 AromaticContact CD2-CD2 3.93Å; H79-W94 AromaticContact CD2-CG 3.39Å; H79-W94 AromaticContact CD2-NE1 3.66Å; H79-W94 AromaticContact CE1-CD1 3.76Å; H79-W94 AromaticContact CG-CD1 3.49Å; H79-W94 VanDerWaalsContact CG-CD1 3.49Å; H79-W94 AromaticContact CG-CE2 3.81Å; H79-W94 AromaticContact CG-CG 3.93Å; H79-W94 AromaticContact CG-NE1 3.4Å; H79-W94 AromaticContact ND1-CD1 3.81Å; H79-W94 AromaticContact ND1-NE1 3.72Å; H79-W94 AromaticContact NE2-CD1 3.44Å; H79-W94 AromaticContact NE2-CG 3.88Å; H79-C97 VanDerWaalsContact CE1-SG 3.58Å; H79-C97 PolarHBondContact NE2-SG 3.08Å; H79-C97 VanDerWaalsContact NE2-SG 3.42Å; H79-C102 PolarHBondContact NE2-SG 2.9Å |
| 80 | G | 97.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 80.8 Ų | 80.8 | 72% | 0.722 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | -8.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | C76 R77 | C76-G80 PolarHBondContact O-N 2.98Å; R77-G80 PolarHBondContact O-N 3.31Å |
| 81 | V | 97 | Very high | 96.2 | Very high | 59 Ų | 59 | 84 Ų | 84 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | | | trans | -100.9 | 129.7 | -175.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | C76 R77 H79 W94 | C76-V81 CarbonylContact C-O 3.49Å; C76-V81 HydrophobicContact CB-CB 4.48Å; C76-V81 WeakPolarHBondContact CB-O 3.09Å; C76-V81 PolarHBondContact O-N 2.95Å; C76-V81 VanDerWaalsContact O-O 3.06Å; R77-V81 PolarHBondContact N-O 3.43Å; R77-V81 VanDerWaalsContact N-O 3.16Å; H79-V81 PolarHBondContact O-N 3.45Å; H79-V81 VanDerWaalsContact O-N 3.16Å; V81-W94 HydrophobicContact CB-CH2 3.73Å; V81-W94 HydrophobicContact CB-CZ3 4.04Å; V81-W94 HydrophobicContact CG1-CH2 4.25Å; V81-W94 HydrophobicContact CG1-CZ3 4.31Å; V81-W94 HydrophobicContact CG2-CH2 3.7Å; V81-W94 HydrophobicContact CG2-CZ2 4.46Å; V81-W94 HydrophobicContact CG2-CZ3 4.49Å |
| 82 | V | 96.1 | Very high | 96.4 | Very high | 95 Ų | 95 | 80.6 Ų | 80.6 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | | | trans | -93.7 | 109.6 | 177.9 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | K72 | K72-V82 HydrophobicContact CD-CG1 3.75Å; K72-V82 HydrophobicContact CG-CG1 4.29Å |
| 83 | S | 95.6 | Very high | 96.5 | Very high | 24 Ų | 24 | 84 Ų | 84 | 17% | 0.168 | 43% | 0.425 | C | S | . | . | | | trans | -117.7 | 137.3 | 173 | -51.2 | 0 | 0 | 0 | 0 | 110.7 | K72 C73 | K72-S83 CarbonylContact C-O 3.29Å; K72-S83 WeakPolarHBondContact CA-O 3.49Å; C73-S83 PolarHBondContact N-O 3.43Å |
| 84 | C | 95.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 85.5 Ų | 85.5 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 145.5 | 169.1 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | H88 | C84-H88 WeakPolarHBondContact O-CB 3.36Å |
| 85 | L | 94.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 89.8 Ų | 89.8 | 41% | 0.414 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -80 | -26 | -173.5 | -172.6 | 62.3 | 0 | 0 | 0 | 113.7 | P71 C73 G87 H88 | P71-L85 HydrophobicContact CB-CB 4.17Å; P71-L85 HydrophobicContact CB-CD2 4.05Å; P71-L85 HydrophobicContact CG-CB 4.28Å; P71-L85 HydrophobicContact CG-CD2 4.43Å; P71-L85 VanDerWaalsContact O-CB 3.26Å; P71-L85 WeakPolarHBondContact O-CB 3.36Å; P71-L85 PolarHBondContact O-N 3.06Å; C73-L85 HydrophobicContact CB-CD1 4.47Å; L85-G87 PolarHBondContact O-N 3.16Å; L85-H88 PolarHBondContact O-N 3.25Å |
| 86 | K | 93.4 | Very high | 96.4 | Very high | 197 Ų | 197 | 93.6 Ų | 93.6 | 86% | 0.857 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.3 | 178.6 | -172.4 | 177 | 179.4 | -177.8 | 0 | 109.9 | H88 | K86-H88 PolarHBondContact O-N 3.3Š|
| 87 | G | 94.2 | Very high | 96.4 | Very high | 57 Ų | 57 | 95.3 Ų | 95.3 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -27.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L85 K89 | L85-G87 PolarHBondContact O-N 3.16Å; G87-K89 VanDerWaalsContact C-N 3.34Å; G87-K89 PolarHBondContact O-N 3Å |
| 88 | H | 96.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 95 Ų | 95 | 13% | 0.134 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.2 | -166.3 | -178 | 82.2 | 0 | 0 | 0 | 116 | C73 C76 C84 L85 K86 R90 F91 C92 | C73-H88 VanDerWaalsContact SG-CD2 3.54Å; C76-H88 PolarHBondContact SG-NE2 3.18Å; C84-H88 WeakPolarHBondContact O-CB 3.36Å; L85-H88 PolarHBondContact O-N 3.25Å; K86-H88 PolarHBondContact O-N 3.3Å; H88-R90 VanDerWaalsContact C-N 3.27Å; H88-R90 PolarHBondContact O-N 3.33Å; H88-F91 CarbonylContact O-C 3.59Å; H88-F91 PolarHBondContact O-N 2.9Å; H88-F91 VanDerWaalsContact O-N 3.11Å; H88-C92 WeakPolarHBondContact NE2-CA 3.48Å; H88-C92 WeakPolarHBondContact NE2-CB 3.48Å; H88-C92 PolarHBondContact O-N 2.92Å |
| 89 | K | 94.5 | Very high | 96.5 | Very high | 173 Ų | 173 | 95.3 Ų | 95.3 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -40.9 | -178.8 | -177.4 | 178.7 | -176.4 | -75.3 | 0 | 113.2 | G87 | G87-K89 VanDerWaalsContact C-N 3.34Å; G87-K89 PolarHBondContact O-N 3Å |
| 90 | R | 95.4 | Very high | 96.5 | Very high | 180 Ų | 180 | 95.6 Ų | 95.6 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -35.8 | 179.4 | -65.1 | -164.9 | -64.1 | -116.3 | 6.6 | 112.5 | H88 R95 | H88-R90 VanDerWaalsContact C-N 3.27Å; H88-R90 PolarHBondContact O-N 3.33Å; R90-R95 PolarHBondContact O-NH2 3.21Å |
| 91 | F | 96.5 | Very high | 96.6 | Very high | 156 Ų | 156 | 96.7 Ų | 96.7 | 68% | 0.684 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -97.5 | 21.3 | -174.2 | -49.1 | -66.6 | 0 | 0 | 0 | 113.8 | H88 R93 | H88-F91 CarbonylContact O-C 3.59Å; H88-F91 PolarHBondContact O-N 2.9Å; H88-F91 VanDerWaalsContact O-N 3.11Å; F91-R93 PolarHBondContact O-N 3.36Å |
| 92 | C | 97.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 93.9 Ų | 93.9 | 8% | 0.081 | 47% | 0.469 | C | S | . | . | | | trans | -78.2 | 110.8 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | H88 W94 R95 | H88-C92 WeakPolarHBondContact NE2-CA 3.48Å; H88-C92 WeakPolarHBondContact NE2-CB 3.48Å; H88-C92 PolarHBondContact O-N 2.92Å; C92-W94 PolarHBondContact O-N 3.3Å; C92-R95 HydrophobicContact CB-CB 4.18Å; C92-R95 VanDerWaalsContact O-CB 3.29Å; C92-R95 WeakPolarHBondContact O-CB 3.38Å; C92-R95 PolarHBondContact O-N 3.49Å |
| 93 | R | 97.8 | Very high | 96.7 | Very high | 202 Ų | 202 | 94 Ų | 94 | 76% | 0.762 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -11.7 | 177.2 | -168.8 | 164.6 | 67 | -175.3 | 4.1 | 114.4 | F91 | F91-R93 PolarHBondContact O-N 3.36Š|
| 94 | W | 98 | Very high | 96.8 | Very high | 42 Ų | 42 | 98.4 Ų | 98.4 | 16% | 0.159 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 23.1 | 175.1 | -56.2 | -86.8 | 0 | 0 | 0 | 112.6 | R75 C76 H79 V81 C92 D96 C97 | R75-W94 HydrophobicContact CB-CB 4.37Å; R75-W94 WeakPolarHBondContact CD-O 3.39Å; R75-W94 PolarHBondContact NH1-O 3.49Å; C76-W94 HydrophobicContact CB-CE3 3.98Å; C76-W94 HydrophobicContact CB-CZ3 3.87Å; C76-W94 VanDerWaalsContact SG-CE3 3.5Å; H79-W94 HydrophobicContact CB-CD2 4.06Å; H79-W94 HydrophobicContact CB-CG 4.39Å; H79-W94 HydrophobicContact CB-CZ2 3.81Å; H79-W94 AromaticContact CD2-CD1 3.23Å; H79-W94 AromaticContact CD2-CD2 3.93Å; H79-W94 AromaticContact CD2-CG 3.39Å; H79-W94 AromaticContact CD2-NE1 3.66Å; H79-W94 AromaticContact CE1-CD1 3.76Å; H79-W94 AromaticContact CG-CD1 3.49Å; H79-W94 VanDerWaalsContact CG-CD1 3.49Å; H79-W94 AromaticContact CG-CE2 3.81Å; H79-W94 AromaticContact CG-CG 3.93Å; H79-W94 AromaticContact CG-NE1 3.4Å; H79-W94 AromaticContact ND1-CD1 3.81Å; H79-W94 AromaticContact ND1-NE1 3.72Å; H79-W94 AromaticContact NE2-CD1 3.44Å; H79-W94 AromaticContact NE2-CG 3.88Å; V81-W94 HydrophobicContact CB-CH2 3.73Å; V81-W94 HydrophobicContact CB-CZ3 4.04Å; V81-W94 HydrophobicContact CG1-CH2 4.25Å; V81-W94 HydrophobicContact CG1-CZ3 4.31Å; V81-W94 HydrophobicContact CG2-CH2 3.7Å; V81-W94 HydrophobicContact CG2-CZ2 4.46Å; V81-W94 HydrophobicContact CG2-CZ3 4.49Å; C92-W94 PolarHBondContact O-N 3.3Å; W94-D96 PolarHBondContact O-N 3.08Å; W94-D96 VanDerWaalsContact O-N 3.17Å; W94-C97 HydrophobicContact CB-CB 3.98Å; W94-C97 PolarHBondContact O-N 2.99Å |
| 95 | R | 97.1 | Very high | 97 | Very high | 126 Ų | 126 | 95.6 Ų | 95.6 | 48% | 0.475 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -44.4 | -179.5 | -175.3 | -154.4 | -67.3 | -176 | 4.3 | 111.4 | R75 R90 C92 | R75-R95 PolarHBondContact NE-O 2.82Å; R75-R95 VanDerWaalsContact NE-O 3.11Å; R75-R95 PolarHBondContact NH1-O 3.2Å; R75-R95 VanDerWaalsContact NH1-O 3.08Å; R75-R95 PolarHBondContact NH2-O 3.2Å; R90-R95 PolarHBondContact O-NH2 3.21Å; C92-R95 HydrophobicContact CB-CB 4.18Å; C92-R95 VanDerWaalsContact O-CB 3.29Å; C92-R95 WeakPolarHBondContact O-CB 3.38Å; C92-R95 PolarHBondContact O-N 3.49Å |
| 96 | D | 97.1 | Very high | 97.1 | Very high | 119 Ų | 119 | 94.9 Ų | 94.9 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | 13.2 | -170.5 | -42.6 | -62.4 | 0 | 0 | 0 | 112.3 | W94 Q98 | W94-D96 PolarHBondContact O-N 3.08Å; W94-D96 VanDerWaalsContact O-N 3.17Å; D96-Q98 WeakPolarHBondContact O-CG 3.42Å; D96-Q98 PolarHBondContact O-N 3.01Å |
| 97 | C | 98 | Very high | 97.3 | Very high | 36 Ų | 36 | 89.4 Ų | 89.4 | 24% | 0.243 | 44% | 0.444 | C | S | . | . | | | trans | -63.9 | 132.5 | 177.1 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | R75 H79 W94 C102 | R75-C97 PolarHBondContact NH1-O 3.37Å; H79-C97 VanDerWaalsContact CE1-SG 3.58Å; H79-C97 PolarHBondContact NE2-SG 3.08Å; H79-C97 VanDerWaalsContact NE2-SG 3.42Å; W94-C97 HydrophobicContact CB-CB 3.98Å; W94-C97 PolarHBondContact O-N 2.99Å; C97-C102 WeakPolarHBondContact O-CB 3.48Å |
| 98 | Q | 98.2 | Very high | 97.5 | Very high | 161 Ų | 161 | 95 Ų | 95 | 75% | 0.752 | 45% | 0.447 | S | S | * | . | | | trans | -105.2 | 14.5 | -174.8 | -52.3 | -175.5 | 15.6 | 0 | 0 | 113.6 | D96 L103 | D96-Q98 WeakPolarHBondContact O-CG 3.42Å; D96-Q98 PolarHBondContact O-N 3.01Å; Q98-L103 HydrophobicContact CB-CD2 4.44Å; Q98-L103 WeakPolarHBondContact O-CD1 3.44Å; Q98-L103 WeakPolarHBondContact O-CG 3.27Å |
| 99 | C | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 98.9 Ų | 98.9 | 30% | 0.297 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -62.9 | 151.3 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 110.9 | N101 C102 L103 | C99-N101 PolarHBondContact O-N 3.2Å; C99-N101 VanDerWaalsContact O-N 3.1Å; C99-C102 WeakPolarHBondContact O-CA 3.43Å; C99-C102 PolarHBondContact O-N 3.22Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; C99-L103 PolarHBondContact O-N 3.48Å |
| 100 | A | 98.2 | Very high | 97.8 | Very high | 70 Ų | 70 | 98.5 Ų | 98.5 | 58% | 0.579 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -50.2 | -42.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C102 L103 L104 | A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.1Å; A100-L103 PolarHBondContact O-N 3.42Å; A100-L104 WeakPolarHBondContact O-CG 3.46Å; A100-L104 PolarHBondContact O-N 3.18Å |
| 101 | N | 98.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 92.9 Ų | 92.9 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 176.8 | -69.7 | -30.3 | 0 | 0 | 0 | 113.2 | N78 C99 V105 | N78-N101 HydrophobicContact CB-CB 4.05Å; N78-N101 VanDerWaalsContact ND2-C 3.3Å; N78-N101 PolarHBondContact ND2-O 2.91Å; C99-N101 PolarHBondContact O-N 3.2Å; C99-N101 VanDerWaalsContact O-N 3.1Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.35Å |
| 102 | C | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 90.6 Ų | 90.6 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -81.3 | -33.7 | 177.7 | -76.1 | 0 | 0 | 0 | 0 | 112.5 | H79 C97 C99 A100 L104 V105 V106 | H79-C102 PolarHBondContact NE2-SG 2.9Å; C97-C102 WeakPolarHBondContact O-CB 3.48Å; C99-C102 WeakPolarHBondContact O-CA 3.43Å; C99-C102 PolarHBondContact O-N 3.22Å; C99-C102 VanDerWaalsContact SG-SG 3.66Å; A100-C102 VanDerWaalsContact C-N 3.3Å; A100-C102 PolarHBondContact O-N 3.1Å; C102-L104 VanDerWaalsContact C-N 3.35Å; C102-V105 WeakPolarHBondContact O-CB 3.38Å; C102-V105 PolarHBondContact O-N 3.37Å; C102-V105 VanDerWaalsContact O-N 3.13Å; C102-V106 PolarHBondContact O-N 2.9Å; C102-V106 VanDerWaalsContact O-N 3.12Å |
| 103 | L | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 169.8 | -63.1 | 177 | 0 | 0 | 0 | 111.4 | Q98 C99 A100 V105 V106 E107 | Q98-L103 HydrophobicContact CB-CD2 4.44Å; Q98-L103 WeakPolarHBondContact O-CD1 3.44Å; Q98-L103 WeakPolarHBondContact O-CG 3.27Å; C99-L103 PolarHBondContact O-N 3.48Å; A100-L103 PolarHBondContact O-N 3.42Å; L103-V105 PolarHBondContact O-N 3.31Å; L103-V106 WeakPolarHBondContact O-CB 3.33Å; L103-V106 PolarHBondContact O-N 3.29Å; L103-E107 PolarHBondContact O-N 3.16Å |
| 104 | L | 97.9 | Very high | 98 | Very high | 118 Ų | 118 | 86.3 Ų | 86.3 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.4 | -26.1 | 173.6 | -71.4 | 171.8 | 0 | 0 | 0 | 113.6 | A100 C102 R108 | A100-L104 WeakPolarHBondContact O-CG 3.46Å; A100-L104 PolarHBondContact O-N 3.18Å; C102-L104 VanDerWaalsContact C-N 3.35Å; L104-R108 VanDerWaalsContact O-CB 3.24Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.15Å |
| 105 | V | 97.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 89.8 Ų | 89.8 | 10% | 0.103 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -75.3 | -38.7 | 172.4 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | A74 N78 N101 C102 L103 Q109 | A74-V105 HydrophobicContact CB-CG1 3.88Å; A74-V105 HydrophobicContact CB-CG2 4.07Å; N78-V105 WeakPolarHBondContact ND2-CG2 3.49Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.35Å; C102-V105 WeakPolarHBondContact O-CB 3.38Å; C102-V105 PolarHBondContact O-N 3.37Å; C102-V105 VanDerWaalsContact O-N 3.13Å; L103-V105 PolarHBondContact O-N 3.31Å; V105-Q109 WeakPolarHBondContact O-CB 3.33Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.18Å; V105-Q109 PolarHBondContact O-N 3.36Å |
| 106 | V | 97.8 | Very high | 98.1 | Very high | 63 Ų | 63 | 87.1 Ų | 87.1 | 38% | 0.382 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | C102 L103 R108 Q109 R110 | C102-V106 PolarHBondContact O-N 2.9Å; C102-V106 VanDerWaalsContact O-N 3.12Å; L103-V106 WeakPolarHBondContact O-CB 3.33Å; L103-V106 PolarHBondContact O-N 3.29Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 2.93Å; V106-Q109 WeakPolarHBondContact O-CA 3.24Å; V106-Q109 WeakPolarHBondContact O-CB 3.42Å; V106-Q109 PolarHBondContact O-N 3.1Å; V106-R110 PolarHBondContact O-N 3.17Å |
| 107 | E | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | -178.9 | -176.2 | 54.7 | -157.9 | 0 | 0 | 111.9 | L103 Q109 R110 V111 | L103-E107 PolarHBondContact O-N 3.16Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.81Å; E107-R110 WeakPolarHBondContact O-CB 3.27Å; E107-R110 PolarHBondContact O-N 3.05Å; E107-R110 IonicContact OE1-CZ 3.01Å; E107-R110 IonicContact OE1-NE 2.75Å; E107-R110 PolarHBondContact OE1-NE 3.04Å; E107-R110 VanDerWaalsContact OE1-NE 3.15Å; E107-R110 IonicContact OE1-NH2 3.19Å; E107-R110 PolarHBondContact OE1-NH2 2.79Å; E107-R110 IonicContact OE2-CZ 3.31Å; E107-R110 IonicContact OE2-NE 2.76Å; E107-R110 PolarHBondContact OE2-NE 3.27Å; E107-R110 IonicContact OE2-NH2 2.76Å; E107-V111 WeakPolarHBondContact O-CG2 3Å; E107-V111 PolarHBondContact O-N 2.97Å |
| 108 | R | 98.3 | Very high | 98.1 | Very high | 175 Ų | 175 | 87 Ų | 87 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.8 | -41.1 | 170.2 | -178.7 | 179.9 | -64.8 | -91.3 | -1.3 | 112 | L104 V106 M112 | L104-R108 VanDerWaalsContact O-CB 3.24Å; L104-R108 WeakPolarHBondContact O-CB 3.35Å; L104-R108 PolarHBondContact O-N 3.15Å; V106-R108 VanDerWaalsContact C-N 3.34Å; V106-R108 PolarHBondContact O-N 2.93Å; R108-M112 HydrophobicContact CG-CG 4.5Å; R108-M112 HydrophobicContact CG-SD 4.08Å; R108-M112 WeakPolarHBondContact O-CB 3.32Å; R108-M112 VanDerWaalsContact O-CG 3.26Å; R108-M112 WeakPolarHBondContact O-CG 3.44Å; R108-M112 PolarHBondContact O-N 3.02Å |
| 109 | Q | 97.7 | Very high | 98.1 | Very high | 111 Ų | 111 | 88.1 Ų | 88.1 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 176.1 | -75.9 | 172.4 | -3.8 | 0 | 0 | 111.7 | V105 V106 E107 M112 A113 | V105-Q109 WeakPolarHBondContact O-CB 3.33Å; V105-Q109 VanDerWaalsContact O-CG 3.27Å; V105-Q109 WeakPolarHBondContact O-CG 3.18Å; V105-Q109 PolarHBondContact O-N 3.36Å; V106-Q109 WeakPolarHBondContact O-CA 3.24Å; V106-Q109 WeakPolarHBondContact O-CB 3.42Å; V106-Q109 PolarHBondContact O-N 3.1Å; E107-Q109 VanDerWaalsContact C-N 3.3Å; E107-Q109 PolarHBondContact O-N 2.81Å; Q109-M112 PolarHBondContact O-N 3.01Å; Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.43Å |
| 110 | R | 98.4 | Very high | 98.1 | Very high | 164 Ų | 164 | 94.6 Ų | 94.6 | 62% | 0.619 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -49.2 | 175.2 | -162.3 | -178.6 | 73.3 | 98.5 | 3.6 | 111.8 | V106 E107 A113 A114 | V106-R110 PolarHBondContact O-N 3.17Å; E107-R110 WeakPolarHBondContact O-CB 3.27Å; E107-R110 PolarHBondContact O-N 3.05Å; E107-R110 IonicContact OE1-CZ 3.01Å; E107-R110 IonicContact OE1-NE 2.75Å; E107-R110 PolarHBondContact OE1-NE 3.04Å; E107-R110 VanDerWaalsContact OE1-NE 3.15Å; E107-R110 IonicContact OE1-NH2 3.19Å; E107-R110 PolarHBondContact OE1-NH2 2.79Å; E107-R110 IonicContact OE2-CZ 3.31Å; E107-R110 IonicContact OE2-NE 2.76Å; E107-R110 PolarHBondContact OE2-NE 3.27Å; E107-R110 IonicContact OE2-NH2 2.76Å; R110-A113 PolarHBondContact O-N 2.72Å; R110-A114 PolarHBondContact O-N 3.17Å; R110-A114 VanDerWaalsContact O-N 3.08Å |
| 111 | V | 98.2 | Very high | 97.9 | Very high | 63 Ų | 63 | 96 Ų | 96 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | E107 A113 A114 Q115 | E107-V111 WeakPolarHBondContact O-CG2 3Å; E107-V111 PolarHBondContact O-N 2.97Å; V111-A113 PolarHBondContact O-N 2.91Å; V111-A114 PolarHBondContact O-N 3.43Å; V111-Q115 WeakPolarHBondContact O-CG 3.48Å; V111-Q115 PolarHBondContact O-N 3.13Å |
| 112 | M | 98.4 | Very high | 97.8 | Very high | 107 Ų | 107 | 96 Ų | 96 | 53% | 0.527 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.4 | -73.8 | -178.5 | 70.2 | 0 | 0 | 112.5 | R108 Q109 Q115 V116 | R108-M112 HydrophobicContact CG-CG 4.5Å; R108-M112 HydrophobicContact CG-SD 4.08Å; R108-M112 WeakPolarHBondContact O-CB 3.32Å; R108-M112 VanDerWaalsContact O-CG 3.26Å; R108-M112 WeakPolarHBondContact O-CG 3.44Å; R108-M112 PolarHBondContact O-N 3.02Å; Q109-M112 PolarHBondContact O-N 3.01Å; M112-Q115 PolarHBondContact O-N 2.76Å; M112-V116 WeakPolarHBondContact O-CB 3.44Å; M112-V116 VanDerWaalsContact O-CG2 3.29Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.03Å |
| 113 | A | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 98 Ų | 98 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q109 R110 V111 Q115 V116 A117 | Q109-A113 WeakPolarHBondContact O-CB 3.43Å; Q109-A113 PolarHBondContact O-N 3.43Å; R110-A113 PolarHBondContact O-N 2.72Å; V111-A113 PolarHBondContact O-N 2.91Å; A113-Q115 PolarHBondContact O-N 2.89Å; A113-V116 PolarHBondContact O-N 3.09Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 2.99Å |
| 114 | A | 98 | Very high | 97.2 | Very high | 63 Ų | 63 | 97.1 Ų | 97.1 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R110 V111 V116 A117 L118 | R110-A114 PolarHBondContact O-N 3.17Å; R110-A114 VanDerWaalsContact O-N 3.08Å; V111-A114 PolarHBondContact O-N 3.43Å; A114-V116 PolarHBondContact O-N 3.36Å; A114-A117 PolarHBondContact O-N 3.25Å; A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 3.42Å |
| 115 | Q | 98.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 96 Ų | 96 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 176.1 | -72.6 | 177.8 | -9.6 | 0 | 0 | 113.2 | V111 M112 A113 R119 | V111-Q115 WeakPolarHBondContact O-CG 3.48Å; V111-Q115 PolarHBondContact O-N 3.13Å; M112-Q115 PolarHBondContact O-N 2.76Å; A113-Q115 PolarHBondContact O-N 2.89Å; Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 2.95Å |
| 116 | V | 98.3 | Very high | 95.7 | Very high | 70 Ų | 70 | 101.4 Ų | 101.4 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | M112 A113 A114 R120 | M112-V116 WeakPolarHBondContact O-CB 3.44Å; M112-V116 VanDerWaalsContact O-CG2 3.29Å; M112-V116 WeakPolarHBondContact O-CG2 3.49Å; M112-V116 PolarHBondContact O-N 3.03Å; A113-V116 PolarHBondContact O-N 3.09Å; A114-V116 PolarHBondContact O-N 3.36Å; V116-R120 WeakPolarHBondContact O-CB 3.26Å; V116-R120 VanDerWaalsContact O-CG 3.24Å; V116-R120 WeakPolarHBondContact O-CG 3.08Å; V116-R120 PolarHBondContact O-N 3.13Å |
| 117 | A | 97.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 106.9 Ų | 106.9 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -51 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A113 A114 R119 R120 Q121 | A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 2.99Å; A114-A117 PolarHBondContact O-N 3.25Å; A117-R119 PolarHBondContact O-N 3.34Å; A117-R120 WeakPolarHBondContact O-CB 3.47Å; A117-R120 PolarHBondContact O-N 3.43Å; A117-R120 VanDerWaalsContact O-N 3.11Å; A117-Q121 PolarHBondContact O-N 2.86Å |
| 118 | L | 97.8 | Very high | 93.2 | Very high | 95 Ų | 95 | 110.5 Ų | 110.5 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 177.9 | 178.5 | 62.1 | 0 | 0 | 0 | 112.2 | A114 R120 Q121 Q122 | A114-L118 WeakPolarHBondContact O-CB 3.31Å; A114-L118 PolarHBondContact O-N 3.42Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.25Å; L118-Q121 WeakPolarHBondContact O-CB 3.29Å; L118-Q121 PolarHBondContact O-N 2.97Å; L118-Q122 WeakPolarHBondContact O-CG 3.24Å; L118-Q122 PolarHBondContact O-N 3.31Å |
| 119 | R | 97.6 | Very high | 91.3 | Very high | 184 Ų | 184 | 104.8 Ų | 104.8 | 69% | 0.694 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -32.7 | 178.8 | -164.1 | -173.5 | -57 | -158.3 | -0.2 | 112.7 | Q115 A117 A123 | Q115-R119 WeakPolarHBondContact O-CB 3.42Å; Q115-R119 PolarHBondContact O-N 2.95Å; A117-R119 PolarHBondContact O-N 3.34Å; R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 2.83Å; R119-A123 VanDerWaalsContact O-N 3.16Å |
| 120 | R | 97.3 | Very high | 89.4 | Confident | 180 Ų | 180 | 105.5 Ų | 105.5 | 68% | 0.679 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.2 | -41.7 | 173.8 | -75.9 | 171.4 | 177.4 | -166.2 | -1.1 | 111.4 | V116 A117 L118 A123 T124 | V116-R120 WeakPolarHBondContact O-CB 3.26Å; V116-R120 VanDerWaalsContact O-CG 3.24Å; V116-R120 WeakPolarHBondContact O-CG 3.08Å; V116-R120 PolarHBondContact O-N 3.13Å; A117-R120 WeakPolarHBondContact O-CB 3.47Å; A117-R120 PolarHBondContact O-N 3.43Å; A117-R120 VanDerWaalsContact O-N 3.11Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 3.25Å; R120-A123 PolarHBondContact O-N 3.28Å; R120-T124 WeakPolarHBondContact O-CG2 3.48Å; R120-T124 PolarHBondContact O-N 3.17Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.12Å |
| 121 | Q | 95.9 | Very high | 87.3 | Confident | 101 Ų | 101 | 103.5 Ų | 103.5 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.9 | -54.4 | 175.3 | 177.1 | 178.9 | -8.5 | 0 | 0 | 110.8 | A117 L118 A123 T124 E125 | A117-Q121 PolarHBondContact O-N 2.86Å; L118-Q121 WeakPolarHBondContact O-CB 3.29Å; L118-Q121 PolarHBondContact O-N 2.97Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.93Å; Q121-T124 CarbonylContact O-C 2.94Å; Q121-T124 WeakPolarHBondContact O-CA 3.44Å; Q121-T124 PolarHBondContact O-N 2.99Å; Q121-T124 PolarHBondContact O-OG1 3.08Å; Q121-E125 HydrophobicContact CG-CG 4.36Å; Q121-E125 VanDerWaalsContact CG-OE1 3.26Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.41Å; Q121-E125 PolarHBondContact NE2-OE1 2.94Å; Q121-E125 PolarHBondContact O-N 2.86Å |
| 122 | Q | 95.6 | Very high | 85.1 | Confident | 93 Ų | 93 | 102.9 Ų | 102.9 | 44% | 0.435 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -51.4 | -52.7 | 176.5 | -70.5 | 169.1 | -31.8 | 0 | 0 | 111.1 | L118 T124 E125 D126 | L118-Q122 WeakPolarHBondContact O-CG 3.24Å; L118-Q122 PolarHBondContact O-N 3.31Å; Q122-T124 PolarHBondContact O-N 3.05Å; Q122-E125 PolarHBondContact O-N 3.43Å; Q122-D126 PolarHBondContact O-N 3.26Å |
| 123 | A | 92.9 | Very high | 82.6 | Confident | 43 Ų | 43 | 106.9 Ų | 106.9 | 36% | 0.355 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.5 | -4.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | R119 R120 Q121 K127 | R119-A123 WeakPolarHBondContact O-CB 3.42Å; R119-A123 PolarHBondContact O-N 2.83Å; R119-A123 VanDerWaalsContact O-N 3.16Å; R120-A123 PolarHBondContact O-N 3.28Å; Q121-A123 VanDerWaalsContact C-N 3.35Å; Q121-A123 PolarHBondContact O-N 2.93Å; A123-K127 VanDerWaalsContact O-CD 3.3Å; A123-K127 WeakPolarHBondContact O-CD 3.27Å; A123-K127 WeakPolarHBondContact O-CE 3.46Å; A123-K127 WeakPolarHBondContact O-CG 3.45Å |
| 124 | T | 89.8 | Confident | 80 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -103.3 | -29.3 | 167.9 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | R120 Q121 Q122 K128 | R120-T124 WeakPolarHBondContact O-CG2 3.48Å; R120-T124 PolarHBondContact O-N 3.17Å; R120-T124 VanDerWaalsContact O-N 3.13Å; R120-T124 PolarHBondContact O-OG1 3.12Å; Q121-T124 CarbonylContact O-C 2.94Å; Q121-T124 WeakPolarHBondContact O-CA 3.44Å; Q121-T124 PolarHBondContact O-N 2.99Å; Q121-T124 PolarHBondContact O-OG1 3.08Å; Q122-T124 PolarHBondContact O-N 3.05Å; T124-K128 WeakPolarHBondContact O-CG 3.44Å; T124-K128 PolarHBondContact O-N 3.22Å; T124-K128 VanDerWaalsContact O-N 3.17Å |
| 125 | E | 87.8 | Confident | 77.8 | Confident | 96 Ų | 96 | 114.5 Ų | 114.5 | 45% | 0.449 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.6 | -47.2 | 172.2 | -70.9 | 169.1 | 171.6 | 0 | 0 | 110 | Q121 Q122 K127 K128 | Q121-E125 HydrophobicContact CG-CG 4.36Å; Q121-E125 VanDerWaalsContact CG-OE1 3.26Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.41Å; Q121-E125 PolarHBondContact NE2-OE1 2.94Å; Q121-E125 PolarHBondContact O-N 2.86Å; Q122-E125 PolarHBondContact O-N 3.43Å; E125-K127 PolarHBondContact O-N 3.35Å; E125-K127 VanDerWaalsContact O-N 3.14Å; E125-K128 PolarHBondContact O-N 2.83Å; E125-K128 VanDerWaalsContact O-N 3.07Å |
| 126 | D | 78.2 | Confident | 75.3 | Confident | 130 Ų | 130 | 114.1 Ų | 114.1 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -50.7 | -39.4 | 174.1 | -64.4 | -31.6 | 0 | 0 | 0 | 112.3 | Q122 | Q122-D126 PolarHBondContact O-N 3.26Å |
| 127 | K | 74.7 | Confident | 73.2 | Confident | 178 Ų | 178 | 114.2 Ų | 114.2 | 77% | 0.774 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -85.6 | -19.6 | -176.4 | -67.1 | -177.3 | -174.9 | -178.6 | 0 | 114.2 | A123 E125 G129 | A123-K127 VanDerWaalsContact O-CD 3.3Å; A123-K127 WeakPolarHBondContact O-CD 3.27Å; A123-K127 WeakPolarHBondContact O-CE 3.46Å; A123-K127 WeakPolarHBondContact O-CG 3.45Å; E125-K127 PolarHBondContact O-N 3.35Å; E125-K127 VanDerWaalsContact O-N 3.14Å; K127-G129 VanDerWaalsContact C-N 3.26Å |
| 128 | K | 67.3 | Low | 71 | Confident | 158 Ų | 158 | 119.8 Ų | 119.8 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.7 | -4.7 | 177.6 | -82.6 | 177.7 | 170.3 | -71.1 | 0 | 112.8 | T124 E125 I130 | T124-K128 WeakPolarHBondContact O-CG 3.44Å; T124-K128 PolarHBondContact O-N 3.22Å; T124-K128 VanDerWaalsContact O-N 3.17Å; E125-K128 PolarHBondContact O-N 2.83Å; E125-K128 VanDerWaalsContact O-N 3.07Å; K128-I130 HydrophobicContact CB-CD1 3.9Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 PolarHBondContact O-N 3.11Å; K128-I130 VanDerWaalsContact O-N 3.16Å |
| 129 | G | 59.1 | Low | 68.6 | Low | 55 Ų | 55 | 126.6 Ų | 126.6 | 57% | 0.567 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 34.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K127 S131 | K127-G129 VanDerWaalsContact C-N 3.26Å; G129-S131 PolarHBondContact O-N 3.37Å; G129-S131 PolarHBondContact O-OG 3.34Å |
| 130 | I | 57.1 | Low | 66.4 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 65% | 0.646 | 66% | 0.657 | S | S | * | * | | | trans | -77.7 | 73.5 | -170.6 | -47.3 | -179.3 | 0 | 0 | 0 | 109.8 | K128 G132 | K128-I130 HydrophobicContact CB-CD1 3.9Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 PolarHBondContact O-N 3.11Å; K128-I130 VanDerWaalsContact O-N 3.16Å; I130-G132 PolarHBondContact O-N 3.17Å |
| 131 | S | 54.5 | Low | 64.4 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | | | trans | -69.3 | 51.2 | 159.9 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | G129 | G129-S131 PolarHBondContact O-N 3.37Å; G129-S131 PolarHBondContact O-OG 3.34Å |
| 132 | G | 51.9 | Low | 62.2 | Low | 49 Ų | 49 | 129.8 Ų | 129.8 | 51% | 0.505 | 67% | 0.671 | S | S | . | * | | | trans | -102.9 | 32.5 | -160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I130 | I130-G132 PolarHBondContact O-N 3.17Š|
| 133 | K | 45.9 | Very low | 60 | Low | 191 Ų | 191 | 132.6 Ų | 132.6 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | | | trans | 70.2 | 149.1 | 177.1 | -49 | 171.7 | -174.7 | 177.5 | 0 | 114.5 | I135 | K133-I135 PolarHBondContact O-N 3.34Š|
| 134 | P | 44.4 | Very low | 57.8 | Low | 120 Ų | 120 | 140.2 Ų | 140.2 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 124.2 | 172.2 | 29 | -33.4 | 0 | 0 | 0 | 110.4 | | |
| 135 | I | 52.3 | Low | 56.1 | Low | 165 Ų | 165 | 145.1 Ų | 145.1 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 125 | 170.5 | -60.2 | 173.7 | 0 | 0 | 0 | 108.1 | K133 A137 | K133-I135 PolarHBondContact O-N 3.34Å; I135-A137 PolarHBondContact O-N 2.96Å |
| 136 | P | 45.2 | Very low | 54.4 | Low | 107 Ų | 107 | 147.3 Ų | 147.3 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 117.1 | -167.4 | 26.7 | -34 | 0 | 0 | 0 | 113.8 | E138 | P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 3.34Å |
| 137 | A | 54.3 | Low | 52.9 | Low | 72 Ų | 72 | 149.1 Ų | 149.1 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 56 | -42.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | I135 R139 R140 | I135-A137 PolarHBondContact O-N 2.96Å; A137-R139 PolarHBondContact O-N 3.21Å; A137-R140 WeakPolarHBondContact O-CB 3.28Å; A137-R140 PolarHBondContact O-N 2.79Å; A137-R140 VanDerWaalsContact O-N 3.13Å |
| 138 | E | 51.7 | Low | 51.7 | Low | 174 Ų | 174 | 146.7 Ų | 146.7 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -69.1 | -28.3 | -152.6 | -67.2 | -161.8 | 129.5 | 0 | 0 | 116.3 | P136 R140 | P136-E138 VanDerWaalsContact C-N 3.34Å; P136-E138 PolarHBondContact O-N 3.34Å; E138-R140 PolarHBondContact O-N 3.13Å |
| 139 | R | 48.4 | Very low | 51 | Low | 238 Ų | 238 | 142.4 Ų | 142.4 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -76.7 | 1.8 | 176.4 | -80.9 | -174.7 | 172.9 | 155 | 1.1 | 115.1 | A137 I141 | A137-R139 PolarHBondContact O-N 3.21Å; R139-I141 PolarHBondContact O-N 3.11Å |
| 140 | R | 50.5 | Low | 51.1 | Low | 199 Ų | 199 | 142 Ų | 142 | 75% | 0.751 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -81.2 | -4.1 | -178 | -71.9 | -173.9 | 170.8 | 179.5 | -2.3 | 115.9 | A137 E138 | A137-R140 WeakPolarHBondContact O-CB 3.28Å; A137-R140 PolarHBondContact O-N 2.79Å; A137-R140 VanDerWaalsContact O-N 3.13Å; E138-R140 PolarHBondContact O-N 3.13Å |
| 141 | I | 55.8 | Low | 51 | Low | 122 Ų | 122 | 143.1 Ų | 143.1 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -52.5 | -174.8 | -62.9 | 179.5 | 0 | 0 | 0 | 111.7 | R139 | R139-I141 PolarHBondContact O-N 3.11Š|
| 142 | Y | 48.7 | Very low | 51.2 | Low | 211 Ų | 211 | 143.3 Ų | 143.3 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -80.6 | -23.3 | -175.7 | -65.2 | -72.6 | 0 | 0 | 0 | 114.7 | R144 | Y142-R144 PolarHBondContact O-N 2.9Š|
| 143 | Q | 49.9 | Very low | 51.3 | Low | 152 Ų | 152 | 143.3 Ų | 143.3 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -84.7 | 18.6 | -177.6 | -148.9 | 173.4 | 16.7 | 0 | 0 | 114.6 | | |
| 144 | R | 45.8 | Very low | 51.8 | Low | 204 Ų | 204 | 140.8 Ų | 140.8 | 77% | 0.77 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -85.3 | -11.4 | 172.3 | -84.9 | -179.7 | 165.9 | 164.8 | -3.9 | 114.6 | Y142 | Y142-R144 PolarHBondContact O-N 2.9Š|
| 145 | H | 55.2 | Low | 52.3 | Low | 179 Ų | 179 | 138.4 Ų | 138.4 | 83% | 0.829 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -94.7 | 3.7 | -177.1 | -72.5 | -76.5 | 0 | 0 | 0 | 115.7 | | |
| 146 | I | 52.2 | Low | 52.6 | Low | 141 Ų | 141 | 135.7 Ų | 135.7 | 72% | 0.723 | 66% | 0.662 | S | S | * | * | | | trans | -110.6 | 76.8 | 172.7 | -52 | 179.9 | 0 | 0 | 0 | 109.2 | | |
| 147 | R | 46.4 | Very low | 53.2 | Low | 169 Ų | 169 | 136.8 Ų | 136.8 | 64% | 0.638 | 66% | 0.661 | S | S | * | * | | | trans | -131.6 | 80.2 | 178 | -167.9 | 179.7 | -175.1 | 168.9 | 6.8 | 112.6 | S149 T150 | R147-S149 PolarHBondContact NE-OG 2.96Å; R147-S149 PolarHBondContact O-N 3.42Å; R147-T150 HydrophobicContact CG-CG2 4.5Å |
| 148 | P | 50.3 | Low | 53.2 | Low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 44.7 | 170.4 | 35.3 | -36.5 | 0 | 0 | 0 | 112.1 | | |
| 149 | S | 52.4 | Low | 52.9 | Low | 68 Ų | 68 | 135.3 Ų | 135.3 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.4 | -4.1 | -179.3 | 97.4 | 0 | 0 | 0 | 0 | 114 | R147 | R147-S149 PolarHBondContact NE-OG 2.96Å; R147-S149 PolarHBondContact O-N 3.42Å |
| 150 | T | 59.5 | Low | 52.9 | Low | 47 Ų | 47 | 133.2 Ų | 133.2 | 29% | 0.288 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -117.2 | -13.6 | -170.6 | 51.7 | 0 | 0 | 0 | 0 | 114.5 | R147 K154 | R147-T150 HydrophobicContact CG-CG2 4.5Å; T150-K154 VanDerWaalsContact O-CB 3.26Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.31Å; T150-K154 WeakPolarHBondContact O-CG 3.48Å; T150-K154 PolarHBondContact O-N 3.25Å |
| 151 | M | 56.6 | Low | 52.4 | Low | 149 Ų | 149 | 133.7 Ų | 133.7 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.8 | -42.8 | 176.2 | -70.3 | -55.8 | -61.3 | 0 | 0 | 112 | S155 | M151-S155 WeakPolarHBondContact O-CB 3.47Å; M151-S155 PolarHBondContact O-N 3.37Å; M151-S155 PolarHBondContact O-OG 3.16Å |
| 152 | L | 57.8 | Low | 51.8 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.4 | -40.4 | 177.8 | -126.5 | 171.5 | 0 | 0 | 0 | 112 | S155 I156 | L152-S155 WeakPolarHBondContact CA-OG 3.46Å; L152-S155 PolarHBondContact O-N 2.87Å; L152-S155 PolarHBondContact O-OG 2.91Å; L152-I156 HydrophobicContact CD2-CD1 3.73Å; L152-I156 HydrophobicContact CD2-CG1 4.15Å; L152-I156 WeakPolarHBondContact O-CB 3.45Å; L152-I156 WeakPolarHBondContact O-CD1 3.49Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 2.81Å |
| 153 | A | 55.2 | Low | 51.6 | Low | 49 Ų | 49 | 129.9 Ų | 129.9 | 41% | 0.405 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.7 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I156 L157 | A153-I156 PolarHBondContact O-N 2.99Å; A153-L157 VanDerWaalsContact O-CD1 3.28Å; A153-L157 WeakPolarHBondContact O-CD1 3.26Å; A153-L157 PolarHBondContact O-N 3.4Å; A153-L157 VanDerWaalsContact O-N 3.11Å |
| 154 | K | 54.8 | Low | 51.3 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64 | -44.8 | 174.8 | -74.6 | -173.6 | 172.6 | -164.7 | 0 | 111.8 | T150 I156 L157 E158 | T150-K154 VanDerWaalsContact O-CB 3.26Å; T150-K154 WeakPolarHBondContact O-CB 3.42Å; T150-K154 VanDerWaalsContact O-CG 3.31Å; T150-K154 WeakPolarHBondContact O-CG 3.48Å; T150-K154 PolarHBondContact O-N 3.25Å; K154-I156 PolarHBondContact O-N 3.01Å; K154-L157 PolarHBondContact O-N 2.91Å; K154-L157 VanDerWaalsContact O-N 3.13Å; K154-E158 VanDerWaalsContact O-CB 3.29Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.36Å |
| 155 | S | 54.6 | Low | 51.2 | Low | 69 Ų | 69 | 126.1 Ų | 126.1 | 48% | 0.483 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.2 | -28.6 | 178 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | M151 L152 G159 | M151-S155 WeakPolarHBondContact O-CB 3.47Å; M151-S155 PolarHBondContact O-N 3.37Å; M151-S155 PolarHBondContact O-OG 3.16Å; L152-S155 WeakPolarHBondContact CA-OG 3.46Å; L152-S155 PolarHBondContact O-N 2.87Å; L152-S155 PolarHBondContact O-OG 2.91Å; S155-G159 PolarHBondContact O-N 3.02Å |
| 156 | I | 58.5 | Low | 50.4 | Low | 108 Ų | 108 | 123.8 Ų | 123.8 | 55% | 0.554 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.7 | -39 | 173.4 | -72.2 | 165.6 | 0 | 0 | 0 | 111.4 | L152 A153 K154 | L152-I156 HydrophobicContact CD2-CD1 3.73Å; L152-I156 HydrophobicContact CD2-CG1 4.15Å; L152-I156 WeakPolarHBondContact O-CB 3.45Å; L152-I156 WeakPolarHBondContact O-CD1 3.49Å; L152-I156 VanDerWaalsContact O-CG1 3.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 2.81Å; A153-I156 PolarHBondContact O-N 2.99Å; K154-I156 PolarHBondContact O-N 3.01Å |
| 157 | L | 58.5 | Low | 50.3 | Low | 131 Ų | 131 | 122.8 Ų | 122.8 | 69% | 0.686 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -75.1 | -41.1 | 176 | -88.9 | 74.6 | 0 | 0 | 0 | 112.5 | A153 K154 G159 Y160 | A153-L157 VanDerWaalsContact O-CD1 3.28Å; A153-L157 WeakPolarHBondContact O-CD1 3.26Å; A153-L157 PolarHBondContact O-N 3.4Å; A153-L157 VanDerWaalsContact O-N 3.11Å; K154-L157 PolarHBondContact O-N 2.91Å; K154-L157 VanDerWaalsContact O-N 3.13Å; L157-G159 PolarHBondContact O-N 3.2Å; L157-Y160 PolarHBondContact O-N 2.81Å |
| 158 | E | 53.6 | Low | 50.3 | Low | 151 Ų | 151 | 123.9 Ų | 123.9 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -62.5 | -32.4 | 177.9 | -155.5 | 81.4 | -125.9 | 0 | 0 | 111.7 | K154 Y160 | K154-E158 VanDerWaalsContact O-CB 3.29Å; K154-E158 WeakPolarHBondContact O-CB 3.38Å; K154-E158 PolarHBondContact O-N 3.36Å; E158-Y160 PolarHBondContact O-N 3Å |
| 159 | G | 47.1 | Very low | 50.1 | Low | 63 Ų | 63 | 125.6 Ų | 125.6 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -8.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S155 L157 | S155-G159 PolarHBondContact O-N 3.02Å; L157-G159 PolarHBondContact O-N 3.2Å |
| 160 | Y | 47.1 | Very low | 49.4 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | | | trans | -109.9 | 56.1 | -178.4 | -123.2 | -93.4 | 0 | 0 | 0 | 112.1 | L157 E158 P162 | L157-Y160 PolarHBondContact O-N 2.81Å; E158-Y160 PolarHBondContact O-N 3Å; Y160-P162 VanDerWaalsContact O-CD 3.31Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å |
| 161 | R | 41.4 | Very low | 48.9 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.7 | 153.3 | -79.1 | -76.4 | 177 | 100 | -0.9 | 107.6 | V163 | R161-V163 PolarHBondContact O-N 3.1Å; R161-V163 VanDerWaalsContact O-N 3.1Å |
| 162 | P | 43 | Very low | 48.4 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 75% | 0.747 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 119 | 169.4 | -21.5 | 34.2 | 0 | 0 | 0 | 108.4 | Y160 Q164 | Y160-P162 VanDerWaalsContact O-CD 3.31Å; Y160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-Q164 PolarHBondContact O-N 3.02Å |
| 163 | V | 44.4 | Very low | 47.6 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.6 | 170.9 | 177.4 | 0 | 0 | 0 | 0 | 106.3 | R161 | R161-V163 PolarHBondContact O-N 3.1Å; R161-V163 VanDerWaalsContact O-N 3.1Å |
| 164 | Q | 43.2 | Very low | 46.9 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 77% | 0.771 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 135.6 | 174.1 | -73.3 | -76 | 33.3 | 0 | 0 | 108.9 | P162 D166 | P162-Q164 PolarHBondContact O-N 3.02Å; Q164-D166 PolarHBondContact O-N 3.37Å |
| 165 | P | 43.1 | Very low | 46.8 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -65.7 | 108.5 | 179.9 | 26.8 | -33.2 | 0 | 0 | 0 | 109.6 | P167 | P165-P167 WeakPolarHBondContact O-CD 3.47Š|
| 166 | D | 38.9 | Very low | 46.6 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -70.6 | 116.3 | 174.6 | -161.9 | -10.7 | 0 | 0 | 0 | 108.5 | Q164 F168 | Q164-D166 PolarHBondContact O-N 3.37Å; D166-F168 PolarHBondContact O-N 3.16Å |
| 167 | P | 49.9 | Very low | 46.3 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 8.1 | -163 | -25.6 | 36.2 | 0 | 0 | 0 | 117.7 | P165 | P165-P167 WeakPolarHBondContact O-CD 3.47Š|
| 168 | F | 45.7 | Very low | 46.3 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 9.9 | -166.6 | -100.9 | -86.8 | 0 | 0 | 0 | 116.4 | D166 | D166-F168 PolarHBondContact O-N 3.16Š|
| 169 | L | 46.1 | Very low | 46.6 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -124 | 141.4 | 174.6 | -68.9 | 176.4 | 0 | 0 | 0 | 113.4 | | |
| 170 | A | 38.3 | Very low | 47.6 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | trans | -73 | 157 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N172 | A170-N172 PolarHBondContact O-N 3.28Š|
| 171 | P | 48.2 | Very low | 48.1 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -81.3 | 78.5 | -164.6 | 33.4 | -37.4 | 0 | 0 | 0 | 113.3 | | |
| 172 | N | 46.6 | Very low | 49 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | -145.5 | 53.5 | 169 | -95.5 | -61.7 | 0 | 0 | 0 | 112.6 | A170 A174 | A170-N172 PolarHBondContact O-N 3.28Å; N172-A174 PolarHBondContact O-N 3.46Å |
| 173 | A | 40.8 | Very low | 49.6 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | | | trans | -72.5 | 75.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L175 | A173-L175 PolarHBondContact O-N 2.83Š|
| 174 | A | 41.7 | Very low | 50.7 | Low | 89 Ų | 89 | 115.4 Ų | 115.4 | 74% | 0.736 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 121 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N172 | N172-A174 PolarHBondContact O-N 3.46Š|
| 175 | L | 53 | Low | 51.5 | Low | 123 Ų | 123 | 114 Ų | 114 | 64% | 0.644 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 143.4 | 176.4 | -67.1 | 172 | 0 | 0 | 0 | 110.4 | A173 | A173-L175 PolarHBondContact O-N 2.83Š|
| 176 | P | 49.7 | Very low | 52.5 | Low | 105 Ų | 105 | 117.4 Ų | 117.4 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129 | 176.4 | 25.9 | -33.7 | 0 | 0 | 0 | 109.4 | | |
| 177 | P | 52.7 | Low | 53.7 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 144.2 | -168.1 | 23 | -34.1 | 0 | 0 | 0 | 112.1 | L179 | P177-L179 PolarHBondContact O-N 3.34Š|
| 178 | P | 57.9 | Low | 54 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 125.2 | -174.8 | 21.8 | -33 | 0 | 0 | 0 | 111 | S180 | P178-S180 PolarHBondContact O-N 3.33Š|
| 179 | L | 60.4 | Low | 54.3 | Low | 65 Ų | 65 | 112.5 Ų | 112.5 | 34% | 0.34 | 62% | 0.615 | S | S | . | * | | | trans | -71.7 | 101.9 | -174.1 | -69.6 | 170.1 | 0 | 0 | 0 | 109.9 | P177 M183 R187 M198 | P177-L179 PolarHBondContact O-N 3.34Å; L179-M183 HydrophobicContact CB-CB 4.45Å; L179-M183 HydrophobicContact CD2-CE 4.26Å; L179-M183 HydrophobicContact CD2-SD 3.96Å; L179-R187 VanDerWaalsContact CD1-NH1 3.31Å; L179-M198 HydrophobicContact CD1-CE 4.21Å |
| 180 | S | 68.5 | Low | 54.9 | Low | 70 Ų | 70 | 109.3 Ų | 109.3 | 49% | 0.49 | 61% | 0.613 | S | S | . | * | | | trans | -39.5 | 146.5 | 178.3 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | P178 R182 M183 R184 | P178-S180 PolarHBondContact O-N 3.33Å; S180-R182 PolarHBondContact O-N 2.76Å; S180-M183 WeakPolarHBondContact O-CA 3.48Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 3.35Å; S180-R184 PolarHBondContact O-N 3.47Å |
| 181 | D | 57.6 | Low | 55.9 | Low | 92 Ų | 92 | 109.2 Ų | 109.2 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.3 | -21.3 | -175.1 | -68.1 | -48.4 | 0 | 0 | 0 | 114.4 | M183 R184 K185 | D181-M183 VanDerWaalsContact C-N 3.34Å; D181-R184 PolarHBondContact O-N 2.92Å; D181-R184 IonicContact OD1-CZ 3.39Å; D181-R184 VanDerWaalsContact OD1-CZ 3.31Å; D181-R184 IonicContact OD1-NE 3.07Å; D181-R184 PolarHBondContact OD1-NE 3.06Å; D181-R184 IonicContact OD1-NH2 3.06Å; D181-R184 PolarHBondContact OD1-NH2 3.07Å; D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.29Å; D181-K185 PolarHBondContact O-N 2.75Å |
| 182 | R | 59 | Low | 57.2 | Low | 190 Ų | 190 | 111.3 Ų | 111.3 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.2 | -30.6 | 172.1 | -157.9 | 177.3 | -168.2 | -169.7 | 5.3 | 112.5 | S180 R186 | S180-R182 PolarHBondContact O-N 2.76Å; R182-R186 WeakPolarHBondContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CD 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.18Å; R182-R186 PolarHBondContact O-N 3.34Å |
| 183 | M | 55.6 | Low | 58.6 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -80.7 | -39.4 | 167.9 | -66.2 | -164.2 | 76.8 | 0 | 0 | 112.4 | L179 S180 D181 R186 R187 | L179-M183 HydrophobicContact CB-CB 4.45Å; L179-M183 HydrophobicContact CD2-CE 4.26Å; L179-M183 HydrophobicContact CD2-SD 3.96Å; S180-M183 WeakPolarHBondContact O-CA 3.48Å; S180-M183 WeakPolarHBondContact O-CB 3.31Å; S180-M183 PolarHBondContact O-N 3.35Å; D181-M183 VanDerWaalsContact C-N 3.34Å; M183-R186 PolarHBondContact O-N 3.15Å; M183-R187 PolarHBondContact O-N 2.85Å; M183-R187 VanDerWaalsContact O-N 3.09Å |
| 184 | R | 66.8 | Low | 60.4 | Low | 28 Ų | 28 | 109.8 Ų | 109.8 | 11% | 0.106 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -53.1 | -58.9 | 173 | -168.4 | -160.2 | -53.8 | -87.6 | -7.2 | 110.5 | S180 D181 R186 R187 A188 E202 | S180-R184 PolarHBondContact O-N 3.47Å; D181-R184 PolarHBondContact O-N 2.92Å; D181-R184 IonicContact OD1-CZ 3.39Å; D181-R184 VanDerWaalsContact OD1-CZ 3.31Å; D181-R184 IonicContact OD1-NE 3.07Å; D181-R184 PolarHBondContact OD1-NE 3.06Å; D181-R184 IonicContact OD1-NH2 3.06Å; D181-R184 PolarHBondContact OD1-NH2 3.07Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.26Å; R184-R187 PolarHBondContact O-N 3.41Å; R184-A188 WeakPolarHBondContact O-CB 3.28Å; R184-A188 PolarHBondContact O-N 3.39Å; R184-E202 IonicContact CZ-OE1 2.7Å; R184-E202 IonicContact CZ-OE2 3.61Å; R184-E202 IonicContact NH1-OE1 3.15Å; R184-E202 PolarHBondContact NH1-OE1 3.08Å; R184-E202 IonicContact NH1-OE2 3.63Å; R184-E202 PolarHBondContact NH1-OE2 3.12Å; R184-E202 VanDerWaalsContact NH2-CD 3.32Å; R184-E202 IonicContact NH2-OE1 2.77Å; R184-E202 PolarHBondContact NH2-OE1 2.87Å; R184-E202 IonicContact NH2-OE2 3.34Å; R184-E202 PolarHBondContact NH2-OE2 3.01Å |
| 185 | K | 60.2 | Low | 62.2 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 59% | 0.591 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.3 | -36.2 | 178.4 | -73.2 | 176.7 | 175.7 | 172.6 | 0 | 112.8 | D181 R187 F189 | D181-K185 WeakPolarHBondContact O-CB 3.27Å; D181-K185 WeakPolarHBondContact O-CG 3.29Å; D181-K185 PolarHBondContact O-N 2.75Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 2.96Å; K185-F189 WeakPolarHBondContact O-CD2 3.4Å; K185-F189 VanDerWaalsContact O-CE2 3.27Å; K185-F189 WeakPolarHBondContact O-CE2 3.47Å |
| 186 | R | 64.5 | Low | 63.7 | Low | 184 Ų | 184 | 107.3 Ų | 107.3 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.4 | -19.7 | 175.8 | -82.9 | 178.2 | 170.6 | -164.2 | -4.7 | 114.6 | R182 M183 R184 | R182-R186 WeakPolarHBondContact O-CB 3.26Å; R182-R186 WeakPolarHBondContact O-CD 3.31Å; R182-R186 WeakPolarHBondContact O-CG 3.18Å; R182-R186 PolarHBondContact O-N 3.34Å; M183-R186 PolarHBondContact O-N 3.15Å; R184-R186 VanDerWaalsContact C-N 3.29Å; R184-R186 PolarHBondContact O-N 3.26Å |
| 187 | R | 64.8 | Low | 65.1 | Low | 138 Ų | 138 | 107.2 Ų | 107.2 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -99 | -31.6 | 174.5 | -72.5 | 179.9 | 171.6 | 137.6 | -3.2 | 113 | L179 M183 R184 K185 F189 | L179-R187 VanDerWaalsContact CD1-NH1 3.31Å; M183-R187 PolarHBondContact O-N 2.85Å; M183-R187 VanDerWaalsContact O-N 3.09Å; R184-R187 PolarHBondContact O-N 3.41Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 2.96Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 3.18Å |
| 188 | A | 56.8 | Low | 66.5 | Low | 21 Ų | 21 | 104.3 Ų | 104.3 | 17% | 0.174 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -73.4 | -10.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R184 A190 D191 E195 | R184-A188 WeakPolarHBondContact O-CB 3.28Å; R184-A188 PolarHBondContact O-N 3.39Å; A188-A190 PolarHBondContact O-N 2.99Å; A188-D191 PolarHBondContact O-N 3.04Å; A188-E195 HydrophobicContact CB-CB 4.19Å; A188-E195 HydrophobicContact CB-CG 4.46Å |
| 189 | F | 51.8 | Low | 67.7 | Low | 179 Ų | 179 | 103.2 Ų | 103.2 | 79% | 0.785 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -6.4 | -176.6 | -84.6 | -58.5 | 0 | 0 | 0 | 116.9 | K185 R187 | K185-F189 WeakPolarHBondContact O-CD2 3.4Å; K185-F189 VanDerWaalsContact O-CE2 3.27Å; K185-F189 WeakPolarHBondContact O-CE2 3.47Å; R187-F189 VanDerWaalsContact C-N 3.3Å; R187-F189 PolarHBondContact O-N 3.18Å |
| 190 | A | 57.1 | Low | 68.9 | Low | 98 Ų | 98 | 106 Ų | 106 | 81% | 0.81 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -16.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A188 | A188-A190 PolarHBondContact O-N 2.99Š|
| 191 | D | 60.4 | Low | 69.5 | Low | 86 Ų | 86 | 111.1 Ų | 111.1 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | | | trans | -154.5 | 129.2 | -176.3 | -155.4 | -31.4 | 0 | 0 | 0 | 112.5 | A188 E193 L194 | A188-D191 PolarHBondContact O-N 3.04Å; D191-E193 PolarHBondContact OD1-N 3.24Å; D191-L194 HydrophobicContact CB-CB 4.25Å |
| 192 | K | 76.1 | Confident | 70.8 | Confident | 169 Ų | 169 | 108.6 Ų | 108.6 | 74% | 0.735 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -81 | -29 | -178.9 | -174.2 | 178.1 | 177 | -175.6 | 0 | 112.1 | L194 E195 T196 | K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3Å; K192-E195 PolarHBondContact O-N 2.9Å; K192-T196 PolarHBondContact O-N 3.27Å; K192-T196 PolarHBondContact O-OG1 3.11Å |
| 193 | E | 75.9 | Confident | 72 | Confident | 143 Ų | 143 | 107 Ų | 107 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.5 | -36 | 178.2 | -63.3 | -171.4 | 165.6 | 0 | 0 | 110.7 | D191 E195 T196 I197 | D191-E193 PolarHBondContact OD1-N 3.24Å; E193-E195 VanDerWaalsContact C-N 3.35Å; E193-E195 PolarHBondContact O-N 2.96Å; E193-T196 PolarHBondContact O-N 3.05Å; E193-I197 WeakPolarHBondContact O-CD1 3.45Å; E193-I197 VanDerWaalsContact O-CG1 3.29Å; E193-I197 WeakPolarHBondContact O-CG1 3.5Å; E193-I197 PolarHBondContact O-N 2.82Å |
| 194 | L | 77.3 | Confident | 73.3 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 42% | 0.419 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 177.4 | -173.9 | 62.5 | 0 | 0 | 0 | 113 | D191 K192 M198 | D191-L194 HydrophobicContact CB-CB 4.25Å; K192-L194 VanDerWaalsContact C-N 3.3Å; K192-L194 PolarHBondContact O-N 3Å; L194-M198 WeakPolarHBondContact O-CB 3.38Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.19Å |
| 195 | E | 80.4 | Confident | 73.9 | Confident | 78 Ų | 78 | 111.8 Ų | 111.8 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 175.3 | -173.6 | 165.7 | -128.7 | 0 | 0 | 111.2 | A188 K192 E193 M198 L199 | A188-E195 HydrophobicContact CB-CB 4.19Å; A188-E195 HydrophobicContact CB-CG 4.46Å; K192-E195 PolarHBondContact O-N 2.9Å; E193-E195 VanDerWaalsContact C-N 3.35Å; E193-E195 PolarHBondContact O-N 2.96Å; E195-M198 PolarHBondContact O-N 3.25Å; E195-L199 WeakPolarHBondContact O-CB 3.29Å; E195-L199 PolarHBondContact O-N 2.97Å |
| 196 | T | 83.3 | Confident | 74.6 | Confident | 82 Ų | 82 | 112.5 Ų | 112.5 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 174.9 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | K192 E193 M198 L199 E200 | K192-T196 PolarHBondContact O-N 3.27Å; K192-T196 PolarHBondContact O-OG1 3.11Å; E193-T196 PolarHBondContact O-N 3.05Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 3.28Å; T196-L199 WeakPolarHBondContact O-CB 3.48Å; T196-L199 PolarHBondContact O-N 3.48Å; T196-L199 VanDerWaalsContact O-N 3.12Å; T196-E200 WeakPolarHBondContact O-CB 3.32Å; T196-E200 PolarHBondContact O-N 2.88Å |
| 197 | I | 81 | Confident | 75.2 | Confident | 103 Ų | 103 | 108.4 Ų | 108.4 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | -178.9 | -67.1 | 163.7 | 0 | 0 | 0 | 111.5 | E193 R201 | E193-I197 WeakPolarHBondContact O-CD1 3.45Å; E193-I197 VanDerWaalsContact O-CG1 3.29Å; E193-I197 WeakPolarHBondContact O-CG1 3.5Å; E193-I197 PolarHBondContact O-N 2.82Å; I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 PolarHBondContact O-N 2.95Å; I197-R201 VanDerWaalsContact O-N 3.08Å |
| 198 | M | 80.4 | Confident | 75.5 | Confident | 44 Ų | 44 | 105.7 Ų | 105.7 | 22% | 0.217 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 172.8 | -78 | -167.9 | 64.4 | 0 | 0 | 112.4 | L179 L194 E195 T196 R201 E202 | L179-M198 HydrophobicContact CD1-CE 4.21Å; L194-M198 WeakPolarHBondContact O-CB 3.38Å; L194-M198 WeakPolarHBondContact O-CG 3.45Å; L194-M198 PolarHBondContact O-N 3.19Å; E195-M198 PolarHBondContact O-N 3.25Å; T196-M198 VanDerWaalsContact C-N 3.33Å; T196-M198 PolarHBondContact O-N 3.28Å; M198-R201 PolarHBondContact O-N 2.84Å; M198-E202 PolarHBondContact O-N 3.33Å; M198-E202 VanDerWaalsContact O-N 3.15Å |
| 199 | L | 83.3 | Confident | 75.9 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 178.9 | -163.8 | 72.4 | 0 | 0 | 0 | 111.9 | E195 T196 E202 Y203 | E195-L199 WeakPolarHBondContact O-CB 3.29Å; E195-L199 PolarHBondContact O-N 2.97Å; T196-L199 WeakPolarHBondContact O-CB 3.48Å; T196-L199 PolarHBondContact O-N 3.48Å; T196-L199 VanDerWaalsContact O-N 3.12Å; L199-E202 PolarHBondContact O-N 2.96Å; L199-Y203 PolarHBondContact O-N 3.41Å |
| 200 | E | 86.6 | Confident | 76.7 | Confident | 123 Ų | 123 | 108.4 Ų | 108.4 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 174.1 | -172.7 | -178 | 175.4 | 0 | 0 | 111.3 | T196 Y203 K204 | T196-E200 WeakPolarHBondContact O-CB 3.32Å; T196-E200 PolarHBondContact O-N 2.88Å; E200-Y203 PolarHBondContact O-N 3.41Å; E200-K204 WeakPolarHBondContact O-CB 3.29Å; E200-K204 PolarHBondContact O-N 3.04Å |
| 201 | R | 81.2 | Confident | 77.1 | Confident | 179 Ų | 179 | 107.4 Ų | 107.4 | 68% | 0.675 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 174.4 | -173.8 | -179 | -178.3 | 172.1 | 4.1 | 112.2 | I197 M198 Y203 K204 E205 | I197-R201 WeakPolarHBondContact O-CB 3.49Å; I197-R201 PolarHBondContact O-N 2.95Å; I197-R201 VanDerWaalsContact O-N 3.08Å; M198-R201 PolarHBondContact O-N 2.84Å; R201-Y203 VanDerWaalsContact C-N 3.33Å; R201-K204 PolarHBondContact O-N 2.92Å; R201-E205 VanDerWaalsContact O-CB 3.28Å; R201-E205 WeakPolarHBondContact O-CB 3.48Å; R201-E205 PolarHBondContact O-N 3Å |
| 202 | E | 83.6 | Confident | 77 | Confident | 38 Ų | 38 | 108.3 Ų | 108.3 | 18% | 0.178 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -70.8 | -26.6 | 179.5 | -72.5 | 174.6 | -177.2 | 0 | 0 | 113.6 | R184 M198 L199 R206 | R184-E202 IonicContact CZ-OE1 2.7Å; R184-E202 IonicContact CZ-OE2 3.61Å; R184-E202 IonicContact NH1-OE1 3.15Å; R184-E202 PolarHBondContact NH1-OE1 3.08Å; R184-E202 IonicContact NH1-OE2 3.63Å; R184-E202 PolarHBondContact NH1-OE2 3.12Å; R184-E202 VanDerWaalsContact NH2-CD 3.32Å; R184-E202 IonicContact NH2-OE1 2.77Å; R184-E202 PolarHBondContact NH2-OE1 2.87Å; R184-E202 IonicContact NH2-OE2 3.34Å; R184-E202 PolarHBondContact NH2-OE2 3.01Å; M198-E202 PolarHBondContact O-N 3.33Å; M198-E202 VanDerWaalsContact O-N 3.15Å; L199-E202 PolarHBondContact O-N 2.96Å; E202-R206 PolarHBondContact O-N 3.39Å; E202-R206 PolarHBondContact O-NE 2.7Å |
| 203 | Y | 85.3 | Confident | 76 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 62% | 0.616 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.1 | -49.1 | 170.3 | -174.8 | -91.8 | 0 | 0 | 0 | 110 | L199 E200 R201 E205 R206 E207 | L199-Y203 PolarHBondContact O-N 3.41Å; E200-Y203 PolarHBondContact O-N 3.41Å; R201-Y203 VanDerWaalsContact C-N 3.33Å; Y203-E205 PolarHBondContact O-N 3.48Å; Y203-R206 PolarHBondContact O-N 3.39Å; Y203-R206 VanDerWaalsContact O-N 3.16Å; Y203-E207 PolarHBondContact O-N 2.77Å |
| 204 | K | 83.3 | Confident | 74.9 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | 180 | -162.7 | 157.8 | -160 | 158.9 | 0 | 113.6 | E200 R201 E207 V208 | E200-K204 WeakPolarHBondContact O-CB 3.29Å; E200-K204 PolarHBondContact O-N 3.04Å; R201-K204 PolarHBondContact O-N 2.92Å; K204-E207 PolarHBondContact O-N 3.15Å; K204-V208 WeakPolarHBondContact O-CB 3.47Å; K204-V208 VanDerWaalsContact O-CG2 3.31Å; K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.48Å |
| 205 | E | 79.6 | Confident | 73.6 | Confident | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 171.7 | -174.8 | 164.8 | -149.7 | 0 | 0 | 111.3 | R201 Y203 L209 | R201-E205 VanDerWaalsContact O-CB 3.28Å; R201-E205 WeakPolarHBondContact O-CB 3.48Å; R201-E205 PolarHBondContact O-N 3Å; Y203-E205 PolarHBondContact O-N 3.48Å; E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å |
| 206 | R | 73.8 | Confident | 72 | Confident | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.4 | -42.7 | 171.4 | -86.4 | -178.2 | -76.9 | 147.9 | -9.9 | 113 | E202 Y203 V208 L209 E210 | E202-R206 PolarHBondContact O-N 3.39Å; E202-R206 PolarHBondContact O-NE 2.7Å; Y203-R206 PolarHBondContact O-N 3.39Å; Y203-R206 VanDerWaalsContact O-N 3.16Å; R206-V208 VanDerWaalsContact C-N 3.29Å; R206-V208 PolarHBondContact O-N 3.31Å; R206-L209 PolarHBondContact O-N 2.87Å; R206-L209 VanDerWaalsContact O-N 3.1Å; R206-E210 VanDerWaalsContact O-CB 3.27Å; R206-E210 WeakPolarHBondContact O-CB 3.44Å; R206-E210 PolarHBondContact O-N 3.42Å |
| 207 | E | 78.1 | Confident | 70.3 | Confident | 98 Ų | 98 | 103.3 Ų | 103.3 | 46% | 0.458 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -55.3 | -43.7 | 173.8 | -178.3 | -176.7 | -151.9 | 0 | 0 | 111.4 | Y203 K204 S211 | Y203-E207 PolarHBondContact O-N 2.77Å; K204-E207 PolarHBondContact O-N 3.15Å; E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 2.95Å |
| 208 | V | 69.7 | Low | 68.8 | Low | 81 Ų | 81 | 104.8 Ų | 104.8 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -36.2 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | K204 R206 N212 | K204-V208 WeakPolarHBondContact O-CB 3.47Å; K204-V208 VanDerWaalsContact O-CG2 3.31Å; K204-V208 WeakPolarHBondContact O-CG2 3.44Å; K204-V208 PolarHBondContact O-N 3.48Å; R206-V208 VanDerWaalsContact C-N 3.29Å; R206-V208 PolarHBondContact O-N 3.31Å; V208-N212 WeakPolarHBondContact O-CB 3.38Å; V208-N212 PolarHBondContact O-N 3.42Å; V208-N212 PolarHBondContact O-ND2 3.37Å |
| 209 | L | 67 | Low | 66.9 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70 | -41.1 | 177 | -148.8 | 79.6 | 0 | 0 | 0 | 112.1 | E205 R206 N212 Q213 | E205-L209 WeakPolarHBondContact O-CB 3.37Å; E205-L209 PolarHBondContact O-N 3.32Å; R206-L209 PolarHBondContact O-N 2.87Å; R206-L209 VanDerWaalsContact O-N 3.1Å; L209-N212 PolarHBondContact O-N 3.01Å; L209-Q213 WeakPolarHBondContact O-CB 3.47Å; L209-Q213 PolarHBondContact O-N 3.08Å |
| 210 | E | 67.8 | Low | 65.2 | Low | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.2 | -42.4 | 175.8 | -175.2 | 167.7 | -153.1 | 0 | 0 | 111.1 | R206 Q213 A214 | R206-E210 VanDerWaalsContact O-CB 3.27Å; R206-E210 WeakPolarHBondContact O-CB 3.44Å; R206-E210 PolarHBondContact O-N 3.42Å; E210-Q213 CarbonylContact O-C 3.59Å; E210-Q213 PolarHBondContact O-N 3.18Å; E210-Q213 VanDerWaalsContact O-N 3.16Å; E210-A214 PolarHBondContact O-N 2.95Å |
| 211 | S | 64.6 | Low | 62.9 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 54% | 0.538 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.2 | -39 | 173.4 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | E207 A214 A215 | E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 2.95Å; S211-A214 PolarHBondContact O-N 3.44Å; S211-A215 PolarHBondContact O-N 3.33Å |
| 212 | N | 58.2 | Low | 61.2 | Low | 105 Ų | 105 | 113.5 Ų | 113.5 | 56% | 0.561 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.4 | -36.1 | 170.8 | -85.7 | -88.2 | 0 | 0 | 0 | 112.5 | V208 L209 A214 A215 A216 | V208-N212 WeakPolarHBondContact O-CB 3.38Å; V208-N212 PolarHBondContact O-N 3.42Å; V208-N212 PolarHBondContact O-ND2 3.37Å; L209-N212 PolarHBondContact O-N 3.01Å; N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A215 PolarHBondContact O-N 3.37Å; N212-A216 WeakPolarHBondContact O-CB 3.46Å; N212-A216 PolarHBondContact O-N 3.05Å |
| 213 | Q | 55.9 | Low | 58.8 | Low | 156 Ų | 156 | 116.1 Ų | 116.1 | 73% | 0.729 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.9 | -30.6 | 176.4 | -169.4 | 156.8 | 100.6 | 0 | 0 | 112.3 | L209 E210 | L209-Q213 WeakPolarHBondContact O-CB 3.47Å; L209-Q213 PolarHBondContact O-N 3.08Å; E210-Q213 CarbonylContact O-C 3.59Å; E210-Q213 PolarHBondContact O-N 3.18Å; E210-Q213 VanDerWaalsContact O-N 3.16Å |
| 214 | A | 52.7 | Low | 56.3 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.1 | -29.2 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | E210 S211 N212 | E210-A214 PolarHBondContact O-N 2.95Å; S211-A214 PolarHBondContact O-N 3.44Å; N212-A214 VanDerWaalsContact C-N 3.33Å |
| 215 | A | 49.1 | Very low | 54.8 | Low | 84 Ų | 84 | 116.2 Ų | 116.2 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.5 | -26 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | S211 N212 G217 | S211-A215 PolarHBondContact O-N 3.33Å; N212-A215 PolarHBondContact O-N 3.37Å; A215-G217 VanDerWaalsContact C-N 3.34Å; A215-G217 PolarHBondContact O-N 3.17Å |
| 216 | A | 48 | Very low | 53.4 | Low | 70 Ų | 70 | 117.5 Ų | 117.5 | 58% | 0.579 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -80.1 | 75.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N212 | N212-A216 WeakPolarHBondContact O-CB 3.46Å; N212-A216 PolarHBondContact O-N 3.05Å |
| 217 | G | 47.9 | Very low | 51.6 | Low | 45 Ų | 45 | 118.3 Ų | 118.3 | 46% | 0.464 | 70% | 0.696 | S | S | . | * | | | trans | -53.9 | 156.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A215 L219 | A215-G217 VanDerWaalsContact C-N 3.34Å; A215-G217 PolarHBondContact O-N 3.17Å; G217-L219 PolarHBondContact O-N 3.37Å |
| 218 | P | 48.5 | Very low | 49.6 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | | | trans | -70.8 | 87.7 | -163.3 | 28.6 | -36.7 | 0 | 0 | 0 | 113.4 | L220 | P218-L220 PolarHBondContact O-N 2.95Š|
| 219 | L | 41.4 | Very low | 48.1 | Very low | 149 Ų | 149 | 124 Ų | 124 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -83.5 | 113.6 | 172.1 | -67.1 | -175.7 | 0 | 0 | 0 | 111 | G217 F221 | G217-L219 PolarHBondContact O-N 3.37Å; L219-F221 PolarHBondContact O-N 3.49Å |
| 220 | L | 46.8 | Very low | 46.9 | Very low | 168 Ų | 168 | 123.4 Ų | 123.4 | 88% | 0.88 | 75% | 0.745 | S | S | * | * | | | trans | -62.1 | 124.3 | 177 | -61.6 | 163.8 | 0 | 0 | 0 | 111 | P218 | P218-L220 PolarHBondContact O-N 2.95Š|
| 221 | F | 37.8 | Very low | 45.5 | Very low | 193 Ų | 193 | 121.2 Ų | 121.2 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -119 | 117.3 | 164.8 | -85.6 | -81.3 | 0 | 0 | 0 | 110.2 | L219 | L219-F221 PolarHBondContact O-N 3.49Š|
| 222 | P | 46.1 | Very low | 44.5 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -81.4 | 135.9 | 176.5 | 31.6 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 223 | A | 33.8 | Very low | 43.6 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 52.6 | 109.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 224 | S | 33.1 | Very low | 43 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | | -144.1 | 122.7 | 118.1 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 225 | L | 51.7 | Low | 42.4 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -86 | 115.4 | -179.9 | -69.1 | 105.9 | 0 | 0 | 0 | 111.4 | | |
| 226 | V | 49.3 | Very low | 41.9 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | | | trans | -152.2 | 156.9 | 141.2 | -167 | 0 | 0 | 0 | 0 | 108.4 | | |
| 227 | H | 35.9 | Very low | 41.6 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 92.6 | 1.3 | 165.6 | -49.3 | 101.8 | 0 | 0 | 0 | 120.3 | A229 | H227-A229 PolarHBondContact O-N 3.32Š|
| 228 | H | 35.9 | Very low | 41.3 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 70.8 | 163.8 | -79.4 | -60.1 | 0 | 0 | 0 | 112.2 | | |
| 229 | A | 37.5 | Very low | 40.7 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.1 | -5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | H227 | H227-A229 PolarHBondContact O-N 3.32Š|
| 230 | A | 42.4 | Very low | 40.3 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -129.4 | 15.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 231 | A | 39.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -127.6 | 9.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 232 | A | 43 | Very low | 39.5 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -100.2 | -4.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 233 | E | 40 | Very low | 39.8 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -108.6 | -2.7 | -168.2 | -64.1 | -167.7 | 135.6 | 0 | 0 | 115.7 | | |
| 234 | F | 42.6 | Very low | 39.7 | Very low | 188 Ų | 188 | 136 Ų | 136 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -112.6 | 16.4 | -173.6 | -156.5 | -105.6 | 0 | 0 | 0 | 115.8 | | |
| 235 | S | 40.7 | Very low | 40.4 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -140.5 | 46.7 | 178.6 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 236 | A | 37 | Very low | 39.4 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -121.7 | 36.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 237 | Y | 41.8 | Very low | 38.5 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -140.5 | 145.4 | 162.8 | 82.8 | -77.4 | 0 | 0 | 0 | 112.5 | | |
| 238 | K | 42.7 | Very low | 38.2 | Very low | 198 Ų | 198 | 135.2 Ų | 135.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 70 | 56.3 | 169.1 | -152.8 | -173.1 | -177.3 | -177.5 | 0 | 118.1 | | |
| 239 | A | 35.3 | Very low | 37.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | -143.2 | 125.3 | 143 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 240 | G | 32.5 | Very low | 37.5 | Very low | 70 Ų | 70 | 137 Ų | 137 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -140.6 | 160.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 241 | F | 32.7 | Very low | 38.3 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 98% | 0.978 | 78% | 0.781 | S | S | * | * | | | trans | 74.3 | 155.6 | -174.4 | -86 | -96.7 | 0 | 0 | 0 | 117.8 | | |
| 242 | S | 36.2 | Very low | 37.9 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -156.6 | -173.3 | -161.5 | -142.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 243 | P | 51.5 | Low | 37.4 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -137.8 | 168.1 | -8.6 | 34.6 | -14.4 | 0 | 0 | 0 | 116.5 | | |
| 244 | A | 33.3 | Very low | 37.1 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | 66 | 178.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 245 | P | 47.7 | Very low | 36.5 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | | -137.7 | 168.3 | -61.2 | 39.6 | -26.1 | 0 | 0 | 0 | 115.2 | | |
| 246 | Q | 29.1 | Very low | 36 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | -156.5 | 131.3 | 144.4 | -72.6 | -50.7 | -61.3 | 0 | 0 | 106.2 | | |
| 247 | V | 32.3 | Very low | 35.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | | | | 61 | 124.4 | 67.6 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 248 | E | 29.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | cis | 148.1 | 120.7 | -11 | 167.4 | 177.1 | 161.1 | 0 | 0 | 106 | | |
| 249 | H | 30 | Very low | 34.9 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -172.7 | 155 | 138.6 | -119.1 | -80.3 | 0 | 0 | 0 | 114.3 | | |
| 250 | Q | 28.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -153.5 | -173.2 | 176.3 | -92.5 | -78.6 | 16.2 | 0 | 0 | 106.3 | | |
| 251 | P | 58.2 | Low | 34.6 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | | | cis | -126.9 | -170.2 | -32.9 | 33.8 | -15.6 | 0 | 0 | 0 | 112.1 | | |
| 252 | K | 31.9 | Very low | 34.9 | Very low | 183 Ų | 183 | 129 Ų | 129 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | trans | 139.2 | 147.7 | 146 | -80.6 | 154.1 | -179.4 | 174.2 | 0 | 114.6 | | |
| 253 | D | 33 | Very low | 34.9 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | cis | -170.1 | 176.8 | -26.1 | -127.4 | -38.8 | 0 | 0 | 0 | 110.9 | | |
| 254 | L | 33.5 | Very low | 33.9 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | 69.2 | 133.8 | 177.3 | -77.9 | 64.4 | 0 | 0 | 0 | 115.8 | | |
| 255 | C | 29 | Very low | 33.8 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | | | cis | 80.4 | 126.4 | 39.9 | -169.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 256 | G | 30.1 | Very low | 34.1 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | cis | 149.3 | 138 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 257 | F | 30.9 | Very low | 34.3 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -164 | 161.7 | 166.4 | -137.2 | -99.4 | 0 | 0 | 0 | 112.9 | | |
| 258 | L | 37.5 | Very low | 34.8 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -141.3 | 157.1 | 178.4 | -86 | 175.2 | 0 | 0 | 0 | 112.5 | | |
| 259 | G | 30.5 | Very low | 34.6 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | 107.4 | 158.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 260 | S | 32.4 | Very low | 35.5 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | cis | -166.4 | 165.9 | -9.9 | -165.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 261 | G | 30.7 | Very low | 35.5 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 102 | 98.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 262 | C | 38.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 86% | 0.858 | 81% | 0.806 | S | S | * | * | | | trans | -86.8 | 149.7 | 154 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 263 | L | 35.2 | Very low | 34.3 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | | | trans | -147.4 | 134.8 | 153.5 | -78.8 | -175.4 | 0 | 0 | 0 | 110.9 | | |
| 264 | D | 30.1 | Very low | 34.2 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -88.7 | 161.8 | 168.4 | -85.9 | -67.8 | 0 | 0 | 0 | 111.7 | | |
| 265 | L | 32.2 | Very low | 34.2 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | | -175.4 | 159.6 | 120.8 | -115.2 | 68.3 | 0 | 0 | 0 | 111.8 | | |
| 266 | P | 54.3 | Low | 34.6 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -123.4 | -177.1 | -161.9 | 44.7 | -35 | 0 | 0 | 0 | 117.9 | | |
| 267 | A | 33.5 | Very low | 35.1 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | | | trans | 79.9 | 164.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 268 | P | 41.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | cis | -128 | -173 | -8.3 | 29.6 | -6.5 | 0 | 0 | 0 | 115.6 | | |
| 269 | Y | 26.8 | Very low | 35.4 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -69.7 | 174.8 | 170.7 | -123.1 | -127.4 | 0 | 0 | 0 | 112.5 | | |
| 270 | P | 47.4 | Very low | 35.5 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | | | cis | -147.6 | -176 | 22 | 45.7 | -25.7 | 0 | 0 | 0 | 119.7 | | |
| 271 | S | 29.5 | Very low | 35.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | 74.3 | 100.9 | 144.7 | -67.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 272 | S | 30.6 | Very low | 35.9 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | | 51.7 | 101.6 | 120.5 | -178.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 273 | A | 33.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -145.6 | 157.2 | 152 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 274 | A | 31.8 | Very low | 36.1 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -58.4 | 150.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 275 | N | 33.6 | Very low | 36.3 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | trans | -60 | 141.5 | 168.9 | -7.5 | -93.8 | 0 | 0 | 0 | 112.2 | | |
| 276 | V | 35.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | -133.4 | 103.9 | 159.4 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 277 | E | 40.7 | Very low | 35.2 | Very low | 159 Ų | 159 | 127.2 Ų | 127.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -84.6 | 122.1 | 172.3 | -64.9 | -176.5 | 142 | 0 | 0 | 109.8 | I279 | E277-I279 HydrophobicContact CB-CG1 4.2Å; E277-I279 PolarHBondContact O-N 3.47Å |
| 278 | L | 33.6 | Very low | 35.4 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -85.1 | 89.3 | 169.5 | -102 | 164.8 | 0 | 0 | 0 | 109.6 | | |
| 279 | I | 41.8 | Very low | 34.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | trans | -81.4 | 117.2 | 178.2 | -62.1 | 173.2 | 0 | 0 | 0 | 110.3 | E277 | E277-I279 HydrophobicContact CB-CG1 4.2Å; E277-I279 PolarHBondContact O-N 3.47Å |
| 280 | S | 32.7 | Very low | 34.9 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -147.6 | 125.1 | 158.1 | 61.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 281 | S | 39.6 | Very low | 34.1 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | | | cis | -165.2 | 129.8 | -8.9 | 52 | 0 | 0 | 0 | 0 | 110.8 | | |
| 282 | N | 32.9 | Very low | 34.2 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | 65.1 | 139.2 | 156.6 | -45.9 | -25.5 | 0 | 0 | 0 | 116.1 | | |
| 283 | V | 38.4 | Very low | 34.5 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | cis | -138.8 | 148.9 | 23.3 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 284 | S | 38.2 | Very low | 34.5 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -70.2 | 173.2 | 178.5 | -42.8 | 0 | 0 | 0 | 0 | 113 | | |
| 285 | V | 34 | Very low | 34.7 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -160.9 | 136.7 | 61.9 | 164.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 286 | A | 29.8 | Very low | 35.1 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | 49.4 | 109.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 287 | T | 34 | Very low | 35.1 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | | | trans | -124.7 | 121.5 | 137.2 | 52.8 | 0 | 0 | 0 | 0 | 109.5 | Y289 | T287-Y289 PolarHBondContact O-N 2.88Š|
| 288 | T | 37 | Very low | 34.8 | Very low | 138 Ų | 138 | 149.1 Ų | 149.1 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | trans | -90.9 | 69.7 | -174.6 | 37.4 | 0 | 0 | 0 | 0 | 112.1 | R290 | T288-R290 PolarHBondContact O-N 3.28Š|
| 289 | Y | 26.7 | Very low | 34.8 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | | | trans | -79.4 | 103.2 | 178.4 | -164.5 | -100 | 0 | 0 | 0 | 111.9 | T287 H291 | T287-Y289 PolarHBondContact O-N 2.88Å; Y289-H291 AromaticContact CD1-CD2 3.64Å; Y289-H291 AromaticContact CD1-NE2 3.91Å; Y289-H291 AromaticContact CE1-CD2 3.68Å; Y289-H291 AromaticContact CE1-NE2 3.74Å |
| 290 | R | 32.6 | Very low | 34.8 | Very low | 227 Ų | 227 | 143.1 Ų | 143.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -89.5 | 108.6 | 171.7 | -81.1 | -75.8 | 179 | 145.2 | -2.2 | 110.3 | T288 | T288-R290 PolarHBondContact O-N 3.28Š|
| 291 | H | 29.8 | Very low | 35 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | | | trans | -58.1 | 146.9 | 167.8 | -88.1 | -107.9 | 0 | 0 | 0 | 112 | Y289 | Y289-H291 AromaticContact CD1-CD2 3.64Å; Y289-H291 AromaticContact CD1-NE2 3.91Å; Y289-H291 AromaticContact CE1-CD2 3.68Å; Y289-H291 AromaticContact CE1-NE2 3.74Å |
| 292 | Y | 30.5 | Very low | 35.5 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | -127.6 | 142.1 | 156.2 | -99 | -93.9 | 0 | 0 | 0 | 108.8 | | |
| 293 | P | 37.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -81.1 | 151.2 | -176.8 | 32.3 | -34.9 | 0 | 0 | 0 | 112.9 | | |
| 294 | L | 34.8 | Very low | 35.5 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -114.5 | 124.5 | 174.5 | -70.3 | 171.8 | 0 | 0 | 0 | 110.5 | | |
| 295 | Q | 35.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | | | trans | -171.6 | 161 | 161.1 | -87.8 | -131.4 | 9.4 | 0 | 0 | 109.3 | | |
| 296 | P | 40.3 | Very low | 35.5 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 83% | 0.826 | S | S | * | * | | | cis | -128.7 | 174.4 | -48.8 | 37.6 | -22.4 | 0 | 0 | 0 | 111.6 | | |
| 297 | S | 36.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 84% | 0.837 | S | S | * | * | | | trans | -72.5 | 142.2 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 298 | R | 35.6 | Very low | 36.6 | Very low | 241 Ų | 241 | 143.1 Ų | 143.1 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | | | trans | -149 | 141.8 | 163.2 | -88.3 | -162 | 177 | -147 | 1.6 | 112.3 | | |
| 299 | G | 32.2 | Very low | 36.6 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | 78.4 | 103 | 147.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 300 | A | 43 | Very low | 37 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | | | trans | -83.9 | 143.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 301 | N | 36.4 | Very low | 37.7 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | | | trans | -155.7 | 143.2 | 156 | -128.1 | -12.5 | 0 | 0 | 0 | 109.6 | | |
| 302 | P | 50.3 | Low | 38.2 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | | | trans | -98.7 | 123.8 | -174.3 | 34.8 | -29.6 | 0 | 0 | 0 | 113.1 | | |
| 303 | G | 36.8 | Very low | 38.5 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | | | trans | 138.7 | 136.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 304 | G | 35 | Very low | 39.1 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | | | trans | 94.7 | 133.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 305 | G | 35.9 | Very low | 39.9 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | | | trans | -86.2 | 158.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 306 | G | 34.9 | Very low | 40.5 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -168.4 | 125 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 307 | F | 42.6 | Very low | 41.1 | Very low | 209 Ų | 209 | 135.6 Ų | 135.6 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | | | trans | -75.8 | 149.9 | 176.7 | -77.8 | -112.2 | 0 | 0 | 0 | 111.8 | | |
| 308 | V | 45.3 | Very low | 42.2 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | | -146.5 | 129.8 | 124.5 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 309 | M | 37.2 | Very low | 43.2 | Very low | 174 Ų | 174 | 125.1 Ų | 125.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -120 | 123.4 | 157.3 | 170.1 | 173.5 | 155.7 | 0 | 0 | 107.5 | P311 | M309-P311 WeakPolarHBondContact O-CD 3.46Š|
| 310 | W | 35.5 | Very low | 44.5 | Very low | 223 Ų | 223 | 124.3 Ų | 124.3 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 118.9 | -178.5 | -88.8 | 93 | 0 | 0 | 0 | 111.6 | | |
| 311 | P | 46.4 | Very low | 45.4 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -73.7 | 142.4 | 168.9 | 31.7 | -33.4 | 0 | 0 | 0 | 110.1 | M309 | M309-P311 WeakPolarHBondContact O-CD 3.46Š|
| 312 | R | 39.9 | Very low | 46.8 | Very low | 256 Ų | 256 | 122.7 Ų | 122.7 | 97% | 0.966 | 76% | 0.759 | S | S | * | * | | | trans | -132.7 | 107.1 | -177.3 | -158.7 | -175.9 | -167.7 | -155.2 | 4 | 110.7 | | |
| 313 | G | 38.1 | Very low | 47.6 | Very low | 72 Ų | 72 | 124.3 Ų | 124.3 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | | | trans | 127.8 | 130.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 314 | A | 48.9 | Very low | 49.3 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | | | trans | -100.7 | 82.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 315 | T | 51.3 | Low | 50.9 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -141.2 | 150.4 | 162.1 | 47.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 316 | N | 50.1 | Low | 52.4 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 58% | 0.583 | 70% | 0.703 | S | S | * | * | | | trans | 70 | 69.6 | 179.2 | -53.1 | 12.6 | 0 | 0 | 0 | 115.8 | G318 D319 | N316-G318 PolarHBondContact O-N 3.16Å; N316-D319 HydrophobicContact CB-CB 4.49Å; N316-D319 VanDerWaalsContact CB-OD2 3.27Å; N316-D319 WeakPolarHBondContact CB-OD2 3.47Å; N316-D319 PolarHBondContact ND2-OD2 3.11Å |
| 317 | L | 52 | Low | 54.2 | Low | 162 Ų | 162 | 127.8 Ų | 127.8 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.5 | -16.2 | 167.6 | -154.3 | 72.9 | 0 | 0 | 0 | 113.1 | | |
| 318 | G | 59.2 | Low | 55.3 | Low | 48 Ų | 48 | 125.4 Ų | 125.4 | 50% | 0.495 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.5 | -38.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N316 A320 L321 L322 | N316-G318 PolarHBondContact O-N 3.16Å; G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.23Å; G318-L321 PolarHBondContact O-N 3.26Å; G318-L321 VanDerWaalsContact O-N 3.17Å; G318-L322 PolarHBondContact O-N 3.41Å; G318-L322 VanDerWaalsContact O-N 3.13Å |
| 319 | D | 57.6 | Low | 56 | Low | 96 Ų | 96 | 124 Ų | 124 | 51% | 0.513 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -64.1 | -32.9 | -173.6 | -64.3 | -23.4 | 0 | 0 | 0 | 112.2 | N316 L322 Y323 | N316-D319 HydrophobicContact CB-CB 4.49Å; N316-D319 VanDerWaalsContact CB-OD2 3.27Å; N316-D319 WeakPolarHBondContact CB-OD2 3.47Å; N316-D319 PolarHBondContact ND2-OD2 3.11Å; D319-L322 PolarHBondContact O-N 3.07Å; D319-Y323 WeakPolarHBondContact O-CB 3.43Å; D319-Y323 PolarHBondContact O-N 3Å |
| 320 | A | 58.6 | Low | 56.9 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.6 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G318 Q324 | G318-A320 VanDerWaalsContact C-N 3.26Å; G318-A320 PolarHBondContact O-N 3.23Å; A320-Q324 WeakPolarHBondContact O-CB 3.3Å; A320-Q324 PolarHBondContact O-N 3.13Å; A320-Q324 VanDerWaalsContact O-N 3.08Å |
| 321 | L | 61.4 | Low | 57.9 | Low | 115 Ų | 115 | 112.7 Ų | 112.7 | 60% | 0.602 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.2 | -37.6 | 178.1 | -63.7 | 177.2 | 0 | 0 | 0 | 111.4 | G318 Q324 Q325 | G318-L321 PolarHBondContact O-N 3.26Å; G318-L321 VanDerWaalsContact O-N 3.17Å; L321-Q324 PolarHBondContact O-N 3.34Å; L321-Q325 PolarHBondContact O-N 3.02Å |
| 322 | L | 65.4 | Low | 58 | Low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.7 | -42.8 | 175.9 | -163.6 | 72 | 0 | 0 | 0 | 111.4 | G318 D319 Q325 C326 | G318-L322 PolarHBondContact O-N 3.41Å; G318-L322 VanDerWaalsContact O-N 3.13Å; D319-L322 PolarHBondContact O-N 3.07Å; L322-Q325 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-SG 3.02Å; L322-C326 VanDerWaalsContact O-SG 3.37Å |
| 323 | Y | 68.2 | Low | 58.6 | Low | 160 Ų | 160 | 104.6 Ų | 104.6 | 63% | 0.627 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 174.3 | -175.8 | -112.6 | 0 | 0 | 0 | 112.2 | D319 C326 L327 | D319-Y323 WeakPolarHBondContact O-CB 3.43Å; D319-Y323 PolarHBondContact O-N 3Å; Y323-C326 PolarHBondContact O-N 2.92Å; Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.54Å; Y323-L327 HydrophobicContact CE1-CG 4.26Å; Y323-L327 WeakPolarHBondContact O-CG 3.26Å; Y323-L327 PolarHBondContact O-N 2.72Å |
| 324 | Q | 71.8 | Confident | 59.2 | Low | 131 Ų | 131 | 109.3 Ų | 109.3 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65 | -39.5 | 177.1 | -169 | 168 | -5.6 | 0 | 0 | 112.3 | A320 L321 L327 F328 | A320-Q324 WeakPolarHBondContact O-CB 3.3Å; A320-Q324 PolarHBondContact O-N 3.13Å; A320-Q324 VanDerWaalsContact O-N 3.08Å; L321-Q324 PolarHBondContact O-N 3.34Å; Q324-L327 PolarHBondContact O-N 3.41Å; Q324-F328 PolarHBondContact O-N 3.07Å; Q324-F328 VanDerWaalsContact O-N 3.08Å |
| 325 | Q | 68.8 | Low | 59.3 | Low | 107 Ų | 107 | 111.4 Ų | 111.4 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.7 | -40.9 | 173.4 | -172 | 65.2 | 60.7 | 0 | 0 | 112.1 | L321 L322 F328 N329 | L321-Q325 PolarHBondContact O-N 3.02Å; L322-Q325 PolarHBondContact O-N 2.91Å; Q325-F328 PolarHBondContact O-N 3.14Å; Q325-N329 PolarHBondContact NE2-OD1 3.16Å; Q325-N329 VanDerWaalsContact NE2-OD1 3.08Å; Q325-N329 PolarHBondContact O-N 3.17Å |
| 326 | C | 67 | Low | 58.9 | Low | 77 Ų | 77 | 114 Ų | 114 | 52% | 0.52 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.7 | -41 | 175.4 | -75.3 | 0 | 0 | 0 | 0 | 112.5 | L322 Y323 A330 | L322-C326 PolarHBondContact O-N 2.91Å; L322-C326 PolarHBondContact O-SG 3.02Å; L322-C326 VanDerWaalsContact O-SG 3.37Å; Y323-C326 PolarHBondContact O-N 2.92Å; C326-A330 WeakPolarHBondContact O-CB 3.42Å; C326-A330 PolarHBondContact O-N 3.46Å |
| 327 | L | 72.5 | Confident | 58.6 | Low | 91 Ų | 91 | 118.3 Ų | 118.3 | 48% | 0.476 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.8 | -43.6 | 174.8 | -74.8 | 175.7 | 0 | 0 | 0 | 112.1 | Y323 Q324 N329 A330 T331 | Y323-L327 HydrophobicContact CD1-CD1 4Å; Y323-L327 HydrophobicContact CE1-CD1 3.54Å; Y323-L327 HydrophobicContact CE1-CG 4.26Å; Y323-L327 WeakPolarHBondContact O-CG 3.26Å; Y323-L327 PolarHBondContact O-N 2.72Å; Q324-L327 PolarHBondContact O-N 3.41Å; L327-N329 PolarHBondContact O-N 2.9Å; L327-A330 WeakPolarHBondContact O-CB 3.38Å; L327-A330 PolarHBondContact O-N 3.3Å; L327-T331 PolarHBondContact O-N 3.21Å; L327-T331 PolarHBondContact O-OG1 2.77Å |
| 328 | F | 66.9 | Low | 58.2 | Low | 160 Ų | 160 | 116.8 Ų | 116.8 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.6 | -41.9 | 179 | -153.4 | -92.2 | 0 | 0 | 0 | 111.9 | Q324 Q325 T331 | Q324-F328 PolarHBondContact O-N 3.07Å; Q324-F328 VanDerWaalsContact O-N 3.08Å; Q325-F328 PolarHBondContact O-N 3.14Å; F328-T331 PolarHBondContact O-N 3.13Å; F328-T331 PolarHBondContact O-OG1 2.83Å |
| 329 | N | 59.4 | Low | 57.5 | Low | 93 Ų | 93 | 118.3 Ų | 118.3 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -66.2 | -35.5 | 174 | -70.2 | 0.8 | 0 | 0 | 0 | 112.4 | Q325 L327 T331 A332 | Q325-N329 PolarHBondContact NE2-OD1 3.16Å; Q325-N329 VanDerWaalsContact NE2-OD1 3.08Å; Q325-N329 PolarHBondContact O-N 3.17Å; L327-N329 PolarHBondContact O-N 2.9Å; N329-T331 VanDerWaalsContact C-N 3.33Å; N329-T331 PolarHBondContact O-N 3.23Å; N329-A332 WeakPolarHBondContact O-CB 3.39Å; N329-A332 PolarHBondContact O-N 2.81Å; N329-A332 VanDerWaalsContact O-N 3.16Å |
| 330 | A | 56.4 | Low | 56.7 | Low | 58 Ų | 58 | 118.1 Ų | 118.1 | 48% | 0.479 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.9 | -35.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C326 L327 A332 | C326-A330 WeakPolarHBondContact O-CB 3.42Å; C326-A330 PolarHBondContact O-N 3.46Å; L327-A330 WeakPolarHBondContact O-CB 3.38Å; L327-A330 PolarHBondContact O-N 3.3Å; A330-A332 PolarHBondContact O-N 3.16Å |
| 331 | T | 56.3 | Low | 55.7 | Low | 102 Ų | 102 | 121.5 Ų | 121.5 | 63% | 0.626 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.4 | -20 | 173.8 | 32.5 | 0 | 0 | 0 | 0 | 114.2 | L327 F328 N329 V333 | L327-T331 PolarHBondContact O-N 3.21Å; L327-T331 PolarHBondContact O-OG1 2.77Å; F328-T331 PolarHBondContact O-N 3.13Å; F328-T331 PolarHBondContact O-OG1 2.83Å; N329-T331 VanDerWaalsContact C-N 3.33Å; N329-T331 PolarHBondContact O-N 3.23Å; T331-V333 VanDerWaalsContact C-N 3.33Å; T331-V333 PolarHBondContact O-N 3.22Å |
| 332 | A | 49.3 | Very low | 54.3 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N329 A330 | N329-A332 WeakPolarHBondContact O-CB 3.39Å; N329-A332 PolarHBondContact O-N 2.81Å; N329-A332 VanDerWaalsContact O-N 3.16Å; A330-A332 PolarHBondContact O-N 3.16Å |
| 333 | V | 51.1 | Low | 52.9 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -8.5 | -174.1 | -162.1 | 0 | 0 | 0 | 0 | 112.7 | T331 N335 | T331-V333 VanDerWaalsContact C-N 3.33Å; T331-V333 PolarHBondContact O-N 3.22Å; V333-N335 VanDerWaalsContact C-N 3.29Å; V333-N335 PolarHBondContact O-N 3.49Å |
| 334 | Q | 50.8 | Low | 51.8 | Low | 171 Ų | 171 | 128 Ų | 128 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | | | trans | -84 | 56 | -177.7 | -74.1 | -85.5 | 11.8 | 0 | 0 | 112.8 | | |
| 335 | N | 51.4 | Low | 50 | Low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | | | trans | -149.3 | 30.4 | 173 | -141.4 | -9.6 | 0 | 0 | 0 | 115.4 | V333 | V333-N335 VanDerWaalsContact C-N 3.29Å; V333-N335 PolarHBondContact O-N 3.49Å |
| 336 | M | 43.5 | Very low | 48.5 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 88% | 0.882 | 73% | 0.731 | S | S | * | * | | | trans | -111.4 | 127.7 | 171.1 | -69.6 | -62.8 | -76.6 | 0 | 0 | 110.6 | | |
| 337 | K | 43.8 | Very low | 46.7 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | | | trans | -77.5 | 131.9 | -168.9 | -169.2 | 177.5 | -176.6 | 179.3 | 0 | 111.5 | G339 | K337-G339 PolarHBondContact O-N 3.25Š|
| 338 | P | 42.6 | Very low | 45.3 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -75.3 | 119.7 | 179.6 | 29.5 | -33.6 | 0 | 0 | 0 | 111.1 | | |
| 339 | G | 45.6 | Very low | 43.6 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | 157.6 | 73.6 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | K337 | K337-G339 PolarHBondContact O-N 3.25Š|
| 340 | A | 40.3 | Very low | 42.3 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -144.9 | 136.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 341 | V | 37.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 141 Ų | 141 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -86 | 138.8 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 342 | W | 32.2 | Very low | 39.7 | Very low | 246 Ų | 246 | 144.4 Ų | 144.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | | | trans | -90 | 109.2 | 172.4 | -74.8 | 83.6 | 0 | 0 | 0 | 110.2 | | |
| 343 | E | 35.1 | Very low | 39.1 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -115.4 | 119.1 | 171.5 | -101.6 | -65.5 | 130.5 | 0 | 0 | 109.3 | K345 | E343-K345 PolarHBondContact O-N 3.31Š|
| 344 | P | 44.5 | Very low | 38.5 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -78.2 | 114.1 | -178.3 | -11.4 | 27.8 | 0 | 0 | 0 | 111.8 | | |
| 345 | K | 35.2 | Very low | 37.5 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -125.3 | 140.7 | 171.5 | -161.1 | 159.6 | -174.6 | 170.7 | 0 | 112.4 | E343 | E343-K345 PolarHBondContact O-N 3.31Š|
| 346 | V | 36.4 | Very low | 36.6 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -102.2 | 170.7 | -168.9 | -166.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 347 | M | 30.6 | Very low | 36 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | | | trans | 84.5 | 158.1 | 169.3 | -44.8 | -58.7 | 176.6 | 0 | 0 | 115.9 | | |
| 348 | P | 41.1 | Very low | 35.5 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | cis | -123.2 | -167.9 | -16.1 | 27.1 | -4.5 | 0 | 0 | 0 | 112.5 | | |
| 349 | A | 32.3 | Very low | 35 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | trans | -114.4 | 147.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 350 | E | 32 | Very low | 34.3 | Very low | 192 Ų | 192 | 141 Ų | 141 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | | | trans | 55.9 | 147.9 | 162.5 | -64.9 | -180 | 88.7 | 0 | 0 | 118.5 | | |
| 351 | S | 31.1 | Very low | 33.8 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | cis | -158 | -174.2 | -10.6 | 50.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 352 | Q | 27.8 | Very low | 33.6 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | cis | -147.8 | 169.8 | 15.6 | -62.4 | -179.2 | -19 | 0 | 0 | 110.2 | | |
| 353 | P | 34.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -103.6 | 154.1 | 175.2 | 38.5 | -32.5 | 0 | 0 | 0 | 115.4 | | |
| 354 | P | 39.1 | Very low | 33.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | trans | -96.3 | 166.4 | 154.7 | 37.5 | -31.1 | 0 | 0 | 0 | 111.1 | | |
| 355 | E | 29.8 | Very low | 32.8 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | cis | -168.3 | 135.3 | -11.5 | -109.4 | 179 | 139.5 | 0 | 0 | 106.8 | | |
| 356 | Q | 32.4 | Very low | 33 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -163.5 | 137.5 | 150.9 | -156.2 | 154.5 | -26.7 | 0 | 0 | 114.7 | | |
| 357 | E | 32.2 | Very low | 32.7 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | 50.3 | 106.1 | 158.7 | -75.4 | 175.1 | 98.4 | 0 | 0 | 123.5 | | |
| 358 | A | 33.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | | | | 57 | 104.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 359 | A | 32 | Very low | 32.6 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | | -168.2 | 139.6 | 121.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 360 | A | 29.8 | Very low | 32.8 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 25.6 | 106.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 361 | A | 30.9 | Very low | 32.8 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | | 73.9 | 136.8 | 113.9 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 362 | L | 32.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | | | trans | 70.2 | 149.8 | 163.1 | -53.4 | 179.6 | 0 | 0 | 0 | 117.5 | | |
| 363 | A | 29.4 | Very low | 32.8 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | cis | -166.5 | 170.4 | -23.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 364 | A | 34.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 66.2 | 133.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 365 | K | 32.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | cis | 73.5 | 100 | 35.9 | -73 | -156.5 | 170.4 | -164.9 | 0 | 116 | | |
| 366 | L | 37.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | | -170.1 | 141 | 106.5 | -109 | 87.6 | 0 | 0 | 0 | 105.5 | | |
| 367 | E | 31.3 | Very low | 32.9 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | | 65.5 | 116 | 51.9 | -166.7 | 171.7 | -153.3 | 0 | 0 | 112.2 | | |
| 368 | G | 30.5 | Very low | 32.7 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | cis | -163.1 | -150 | -5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 369 | S | 38.4 | Very low | 33.5 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | cis | 171.8 | 140.2 | -7.5 | -133.9 | 0 | 0 | 0 | 0 | 105.3 | | |
| 370 | R | 37.1 | Very low | 34 | Very low | 239 Ų | 239 | 130 Ų | 130 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | 72.3 | 160.3 | 163.7 | -52.7 | 169 | -166.7 | -179.6 | 3.8 | 118.1 | | |
| 371 | A | 30.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | cis | 177.2 | 164.4 | -37.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 372 | A | 30.1 | Very low | 34 | Very low | 97 Ų | 97 | 132 Ų | 132 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 66.3 | 132.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 373 | A | 29.8 | Very low | 34 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | cis | 76.3 | 111 | 18.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 374 | L | 30 | Very low | 34.1 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | | -176.9 | 152.5 | 111.8 | -136 | 67.5 | 0 | 0 | 0 | 114.2 | | |
| 375 | L | 32.2 | Very low | 34 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | 75.4 | 136.3 | 157.1 | -54.2 | -176.6 | 0 | 0 | 0 | 123.7 | | |
| 376 | D | 31.3 | Very low | 33.9 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | -80.7 | 165.9 | 163 | -129.6 | -59.9 | 0 | 0 | 0 | 110 | K378 | D376-K378 PolarHBondContact OD1-N 3.41Š|
| 377 | P | 43.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | | -146 | 169.5 | 67 | 35.1 | -12.6 | 0 | 0 | 0 | 118.9 | | |
| 378 | K | 29.4 | Very low | 34.1 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | | | trans | -75.4 | -175.9 | -177.8 | -151 | -165.5 | 175.1 | 63.3 | 0 | 115.2 | D376 | D376-K378 PolarHBondContact OD1-N 3.41Š|
| 379 | P | 49.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | | | | -108.3 | -167 | -86.8 | 41.1 | -25.2 | 0 | 0 | 0 | 114 | | |
| 380 | P | 42.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | | -147.9 | 164 | 95.3 | 39.7 | -23 | 0 | 0 | 0 | 117.9 | | |
| 381 | S | 27.5 | Very low | 35.2 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | 5 | 132.5 | 161.5 | 58.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 382 | A | 32.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -122.9 | 148.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 383 | S | 31.6 | Very low | 35.9 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -110.7 | 154.4 | -170.9 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 384 | Q | 32.4 | Very low | 36.6 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -22.9 | 132.7 | 173.9 | -57.6 | 174 | 4.7 | 0 | 0 | 117.4 | | |
| 385 | M | 31.8 | Very low | 36.8 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 93% | 0.931 | 82% | 0.824 | S | S | * | * | | | trans | -129.1 | 145.6 | 143.2 | -65.2 | -158.1 | 82.4 | 0 | 0 | 109.6 | | |
| 386 | K | 31.6 | Very low | 37.1 | Very low | 193 Ų | 193 | 147 Ų | 147 | 84% | 0.839 | 82% | 0.822 | S | S | * | * | | | trans | -102.7 | 141.5 | 177.1 | -72.6 | 176.5 | 176.3 | 174.7 | 0 | 110 | | |
| 387 | E | 37.3 | Very low | 37.2 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | -72.2 | 141.7 | 174.8 | -59.8 | 173 | 112.9 | 0 | 0 | 111.3 | | |
| 388 | C | 35 | Very low | 36.7 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -148.1 | 105.3 | 171.8 | -110.7 | 0 | 0 | 0 | 0 | 112 | | |
| 389 | S | 39.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | 40.1 | 102.7 | 149.8 | -161.9 | 0 | 0 | 0 | 0 | 119 | | |
| 390 | A | 46.5 | Very low | 36.1 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | | | trans | -82.7 | 114.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 391 | F | 43 | Very low | 35.6 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | | | trans | -179.5 | 107.5 | 141.4 | -97.3 | -60.2 | 0 | 0 | 0 | 111.8 | | |
| 392 | S | 39 | Very low | 35.9 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -160.5 | 138.9 | 160 | -83.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 393 | P | 36.4 | Very low | 36.5 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -84.8 | 149.6 | -174.3 | 33.5 | -35.2 | 0 | 0 | 0 | 112.9 | | |
| 394 | P | 45.8 | Very low | 36.2 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | | | trans | -79.7 | 141.9 | -175.7 | 31.7 | -35.3 | 0 | 0 | 0 | 113.4 | | |
| 395 | K | 34.1 | Very low | 35.9 | Very low | 210 Ų | 210 | 149.1 Ų | 149.1 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | | | trans | -110.3 | 126.1 | 154.6 | -70.2 | -178.7 | 178.1 | 179.1 | 0 | 107.9 | | |
| 396 | R | 38.8 | Very low | 35.9 | Very low | 213 Ų | 213 | 144.4 Ų | 144.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -99.3 | 118.4 | 170.7 | -71.6 | -176.2 | 71 | -167.7 | 0.7 | 109.7 | F398 | R396-F398 HydrophobicContact CB-CD2 4.46Š|
| 397 | S | 32.4 | Very low | 36 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -104.5 | 128.3 | 164.7 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 398 | F | 32.9 | Very low | 35.7 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.772 | 80% | 0.803 | S | S | * | * | | | trans | -139.9 | 132 | 168.9 | -83.8 | -86.7 | 0 | 0 | 0 | 109.8 | R396 | R396-F398 HydrophobicContact CB-CD2 4.46Š|
| 399 | G | 31.4 | Very low | 35.7 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -158.3 | 124.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 400 | L | 36.2 | Very low | 35.1 | Very low | 179 Ų | 179 | 143.8 Ų | 143.8 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | | | trans | -146.3 | 164.7 | 170.8 | -80.5 | -177.6 | 0 | 0 | 0 | 108.5 | | |
| 401 | S | 31.1 | Very low | 35.3 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -104.4 | 170.6 | -147.5 | -53.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 402 | F | 33.3 | Very low | 34.6 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -41.2 | 160.2 | 172.2 | -54.3 | -86.9 | 0 | 0 | 0 | 116.1 | | |
| 403 | P | 45.4 | Very low | 34.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | | -126.2 | 174.8 | 90.2 | 37.3 | -31.2 | 0 | 0 | 0 | 114.4 | | |
| 404 | S | 26.9 | Very low | 33.9 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -113.7 | 149.7 | -177 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 405 | N | 26.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -148.8 | 149 | 146.4 | -158.5 | 10.3 | 0 | 0 | 0 | 113.2 | | |
| 406 | S | 31.2 | Very low | 33.1 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | -62 | 151.5 | -176.4 | -31.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 407 | H | 32.8 | Very low | 32.7 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | | -153.4 | 136.1 | 116.5 | -121.9 | -84.1 | 0 | 0 | 0 | 111.8 | | |
| 408 | S | 31 | Very low | 32.7 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -90 | 157.1 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 409 | H | 34.9 | Very low | 32.7 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | | -162.8 | 161.1 | 121.4 | -92.8 | -64.3 | 0 | 0 | 0 | 110.7 | | |
| 410 | N | 28.4 | Very low | 32.6 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | trans | -140.6 | -169.9 | -168.5 | -145.2 | -3.4 | 0 | 0 | 0 | 105 | | |
| 411 | P | 50.2 | Low | 32.2 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | | | cis | -146.8 | -178.6 | -3.8 | 44 | -24.9 | 0 | 0 | 0 | 118 | | |
| 412 | K | 28.3 | Very low | 32.3 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 62.7 | 161.6 | 148.7 | -95.8 | 101.5 | 164.8 | -171.9 | 0 | 116.9 | | |
| 413 | L | 31.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | cis | -141.1 | 140.1 | -15.1 | -91.6 | 141.5 | 0 | 0 | 0 | 104.8 | | |
| 414 | S | 28.4 | Very low | 31.7 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | | 58.4 | 110.5 | 71.4 | -158 | 0 | 0 | 0 | 0 | 116.6 | | |
| 415 | K | 31.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | | | | 132.2 | 129.7 | 122.9 | -163.6 | 159.9 | -176.7 | 170.9 | 0 | 118 | | |
| 416 | D | 32.4 | Very low | 32.1 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 40.7 | 142.5 | 156.8 | -53.3 | -10.4 | 0 | 0 | 0 | 123.1 | | |
| 417 | G | 30.7 | Very low | 32.1 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | 175.9 | 86 | 168.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 418 | A | 31.3 | Very low | 32 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -12.9 | 122.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 419 | K | 32.8 | Very low | 32.1 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | | 52.2 | 137.3 | 114.4 | -84 | -177.9 | 176.7 | 179 | 0 | 123.8 | | |
| 420 | L | 29.3 | Very low | 32.1 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | 79.1 | 153.6 | 160.7 | -58 | 168.2 | 0 | 0 | 0 | 115.9 | | |
| 421 | S | 29.5 | Very low | 32.2 | Very low | 88 Ų | 88 | 138.7 Ų | 138.7 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | cis | -156.4 | 170.9 | 20 | -156.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 422 | M | 31.7 | Very low | 31.5 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | 64.7 | 120.6 | 171.9 | -47.4 | -75.1 | 74.9 | 0 | 0 | 116.6 | | |
| 423 | K | 34.7 | Very low | 31.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | | 58.1 | 132.6 | 68.4 | -78.9 | -165.5 | 166.3 | -165.4 | 0 | 113.8 | | |
| 424 | L | 31.7 | Very low | 31.6 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | cis | -143.9 | 175 | 42.1 | -158.1 | 65.1 | 0 | 0 | 0 | 114.4 | | |
| 425 | D | 32.5 | Very low | 31.8 | Very low | 116 Ų | 116 | 144.4 Ų | 144.4 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | -88.5 | 157.4 | -164 | -41.4 | -107.9 | 0 | 0 | 0 | 116.6 | | |
| 426 | S | 29.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | | -166.2 | 162.3 | 125 | -160.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 427 | F | 31.9 | Very low | 31.7 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -112.2 | 147.1 | -167.3 | -74.5 | -111.5 | 0 | 0 | 0 | 113.8 | | |
| 428 | H | 30.9 | Very low | 31.9 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | | -150 | 129.3 | 126.1 | -147.1 | -92.3 | 0 | 0 | 0 | 114 | | |
| 429 | S | 31.5 | Very low | 32.8 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | -148 | 162.6 | 167.7 | -137.3 | 0 | 0 | 0 | 0 | 105.3 | | |
| 430 | L | 35.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | cis | -159.3 | 146.9 | 10.2 | 171.6 | 64.9 | 0 | 0 | 0 | 106.3 | | |
| 431 | V | 31.4 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | -135.3 | 92.6 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 432 | Q | 35.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | | | trans | 176.7 | 152.6 | 156.6 | -107.2 | 175.5 | 89.3 | 0 | 0 | 107.1 | | |
| 433 | N | 33.1 | Very low | 33.5 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | cis | -161 | 161.6 | -0.1 | -149.1 | -19.5 | 0 | 0 | 0 | 108.1 | | |
| 434 | S | 29.4 | Very low | 33.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -178.5 | 165.3 | 147 | -160.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 435 | R | 32.5 | Very low | 34 | Very low | 234 Ų | 234 | 140.8 Ų | 140.8 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -144.6 | 153.9 | 177.1 | -91 | -178.3 | 164.1 | -173.6 | -3.3 | 112.6 | | |
| 436 | A | 32.9 | Very low | 34.2 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | 74.7 | 125.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 437 | G | 26.9 | Very low | 35.2 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | | | trans | 178.8 | 138.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 438 | K | 36.1 | Very low | 35.8 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | | | trans | -141 | 169.4 | 174.2 | -86.9 | -168 | 178.3 | -173.9 | 0 | 107.3 | | |
| 439 | P | 49.6 | Very low | 36.5 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | cis | -126.6 | 178.6 | -3.3 | 39.1 | -23.4 | 0 | 0 | 0 | 114.1 | | |
| 440 | G | 27.5 | Very low | 37.2 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | | | trans | 167.5 | 145.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 441 | G | 29.7 | Very low | 37.9 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -143.7 | -168.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 442 | P | 48 | Very low | 38.5 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | cis | -126 | -169.7 | 8.1 | 42 | -26.8 | 0 | 0 | 0 | 114.4 | | |
| 443 | D | 33.1 | Very low | 39.1 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | 55.9 | 118.5 | 156 | -95.7 | -61 | 0 | 0 | 0 | 122.2 | | |
| 444 | L | 39.7 | Very low | 40.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | | -174.6 | 160.2 | 101.3 | -97.8 | 171.8 | 0 | 0 | 0 | 113.3 | | |
| 445 | R | 37.4 | Very low | 40.9 | Very low | 231 Ų | 231 | 139.8 Ų | 139.8 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | -74.3 | 143.4 | 177.7 | -86.2 | -105.3 | -146.5 | 128.2 | 2.9 | 113.4 | | |
| 446 | A | 36.9 | Very low | 41.6 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | | -179.6 | 139 | 120.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 447 | P | 49.2 | Very low | 42.4 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | trans | -102.7 | 131 | 163.1 | 35.2 | -26.6 | 0 | 0 | 0 | 111.6 | | |
| 448 | Y | 45.4 | Very low | 43.4 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | trans | -148.6 | -23.6 | 174 | -166.5 | -117.6 | 0 | 0 | 0 | 115.9 | R450 L452 | Y448-R450 PolarHBondContact O-N 3.08Å; Y448-L452 HydrophobicContact CE1-CD1 3.89Å |
| 449 | C | 44.7 | Very low | 44 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 22.2 | -168.7 | -52.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 450 | R | 47.8 | Very low | 43.6 | Very low | 216 Ų | 216 | 137.3 Ų | 137.3 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -41.5 | -176.7 | -146.8 | -179.1 | -161.7 | -169.9 | 4.5 | 114.7 | Y448 | Y448-R450 PolarHBondContact O-N 3.08Š|
| 451 | E | 48.8 | Very low | 44.7 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -72.2 | -34.5 | -176.3 | -63.8 | -176.6 | 118.9 | 0 | 0 | 112.5 | L453 E454 E455 | E451-L453 PolarHBondContact O-N 3.33Å; E451-L453 VanDerWaalsContact O-N 3.11Å; E451-E454 PolarHBondContact O-N 2.77Å; E451-E455 PolarHBondContact O-N 3.27Å |
| 452 | L | 45.4 | Very low | 45.5 | Very low | 120 Ų | 120 | 149 Ų | 149 | 63% | 0.628 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -65.9 | -16.5 | -175.1 | -136.6 | 147 | 0 | 0 | 0 | 113.8 | Y448 | Y448-L452 HydrophobicContact CE1-CD1 3.89Š|
| 453 | L | 47.9 | Very low | 44.9 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -91.1 | -19.8 | 172.4 | -102.6 | 161 | 0 | 0 | 0 | 113.4 | E451 | E451-L453 PolarHBondContact O-N 3.33Å; E451-L453 VanDerWaalsContact O-N 3.11Å |
| 454 | E | 52.1 | Low | 44.9 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -15.6 | -174.9 | -162.2 | 160.9 | -146.5 | 0 | 0 | 112.6 | E451 | E451-E454 PolarHBondContact O-N 2.77Š|
| 455 | E | 47.8 | Very low | 44.6 | Very low | 105 Ų | 105 | 143.6 Ų | 143.6 | 49% | 0.491 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -75.2 | -37.8 | 169.9 | -160.7 | -173.7 | 142.6 | 0 | 0 | 112.5 | E451 A457 R458 K459 | E451-E455 PolarHBondContact O-N 3.27Å; E455-A457 PolarHBondContact O-N 2.92Å; E455-R458 PolarHBondContact O-N 3.32Å; E455-K459 IonicContact OE1-NZ 2.83Å; E455-K459 PolarHBondContact OE1-NZ 3.4Å |
| 456 | A | 45.8 | Very low | 44.6 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -32.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R458 | A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3.46Å |
| 457 | A | 50.8 | Low | 44.4 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -14.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E455 | E455-A457 PolarHBondContact O-N 2.92Š|
| 458 | R | 48.5 | Very low | 43.7 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 67% | 0.672 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -27.7 | -176.8 | -82.4 | -177.6 | -84.7 | 171.9 | -4.7 | 114.4 | E455 A456 F460 | E455-R458 PolarHBondContact O-N 3.32Å; A456-R458 VanDerWaalsContact C-N 3.31Å; A456-R458 PolarHBondContact O-N 3.46Å; R458-F460 VanDerWaalsContact C-N 3.26Å; R458-F460 PolarHBondContact O-N 3.05Å; R458-F460 VanDerWaalsContact O-N 3.16Å |
| 459 | K | 48.5 | Very low | 43 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 7.6 | -171.3 | -69.5 | -178.5 | 178 | 158.6 | 0 | 115.9 | E455 | E455-K459 IonicContact OE1-NZ 2.83Å; E455-K459 PolarHBondContact OE1-NZ 3.4Å |
| 460 | F | 40.3 | Very low | 42.3 | Very low | 206 Ų | 206 | 142.4 Ų | 142.4 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 15.6 | 177.2 | -152.7 | -97.8 | 0 | 0 | 0 | 114.1 | R458 | R458-F460 VanDerWaalsContact C-N 3.26Å; R458-F460 PolarHBondContact O-N 3.05Å; R458-F460 VanDerWaalsContact O-N 3.16Å |
| 461 | R | 50.6 | Low | 41.8 | Very low | 227 Ų | 227 | 141.7 Ų | 141.7 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -116.7 | -14.5 | -178.1 | -170.6 | 169 | -70.7 | -93.8 | -0.6 | 114.8 | | |
| 462 | E | 47.4 | Very low | 41.8 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -128.8 | 126.1 | -173.8 | -64.9 | -176.8 | 142.4 | 0 | 0 | 111.1 | | |
| 463 | G | 34.3 | Very low | 41.2 | Very low | 83 Ų | 83 | 143.9 Ų | 143.9 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | 96 | 89.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 464 | N | 33 | Very low | 40.4 | Very low | 170 Ų | 170 | 140 Ų | 140 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | | -153.6 | 143.8 | 107 | -161.4 | 1.1 | 0 | 0 | 0 | 110.4 | | |
| 465 | G | 34.2 | Very low | 39.4 | Very low | 59 Ų | 59 | 140.6 Ų | 140.6 | 61% | 0.608 | 77% | 0.769 | S | S | * | * | | | trans | -172.7 | 106.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 466 | K | 36.7 | Very low | 39 | Very low | 185 Ų | 185 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 71.4 | 159.6 | 168.6 | -38.8 | -179.4 | -177.4 | 177.9 | 0 | 113.9 | | |
| 467 | D | 34.3 | Very low | 38.5 | Very low | 140 Ų | 140 | 149.5 Ų | 149.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | cis | -145.7 | -171.9 | 16.2 | -122.6 | -51.2 | 0 | 0 | 0 | 112.2 | | |
| 468 | V | 32.9 | Very low | 37.8 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | 88.6 | 132.6 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 469 | S | 30.7 | Very low | 37.1 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | | 160.6 | 113 | -53.2 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 470 | T | 30.1 | Very low | 36.9 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | | | trans | -154.9 | 81.1 | 167.7 | 5.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 471 | K | 38.5 | Very low | 36.7 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | | | trans | 64.5 | 162.3 | 150.4 | -71.9 | -174.6 | 177.2 | 179.4 | 0 | 120.1 | | |
| 472 | P | 48.1 | Very low | 36.2 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | | | trans | -120.6 | 162.2 | -160.1 | 41.3 | -28.6 | 0 | 0 | 0 | 115.7 | | |
| 473 | M | 31.9 | Very low | 35.9 | Very low | 190 Ų | 190 | 137.6 Ų | 137.6 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | | | trans | -135.8 | 135.3 | 152.3 | -171.9 | 68.6 | 77.1 | 0 | 0 | 107.1 | | |
| 474 | G | 31.3 | Very low | 36.1 | Very low | 62 Ų | 62 | 139 Ų | 139 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | | | trans | -125.5 | 134.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 475 | N | 31.6 | Very low | 36.2 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | | | trans | -163.3 | 139.8 | 140 | -108.8 | -43.3 | 0 | 0 | 0 | 112.9 | | |
| 476 | K | 40.3 | Very low | 37 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | 9.3 | 128.3 | 149.9 | -53.2 | 169.4 | -170.9 | 179.4 | 0 | 117.9 | | |
| 477 | M | 33.9 | Very low | 37.3 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 96% | 0.961 | 80% | 0.802 | S | S | * | * | | | | -165 | 166.2 | 97.7 | -98.6 | 171.7 | -159.9 | 0 | 0 | 110.5 | | |
| 478 | A | 36.5 | Very low | 37.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -139.6 | 131.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 479 | S | 34.8 | Very low | 38.7 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -161.3 | 137.7 | 153 | 50.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 480 | G | 43.7 | Very low | 39.5 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -130.6 | 115.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 481 | E | 35.9 | Very low | 40.2 | Very low | 189 Ų | 189 | 137.6 Ų | 137.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -134.4 | 126.6 | 175 | -90 | -178.6 | 154.6 | 0 | 0 | 109.6 | | |
| 482 | S | 39.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -92 | 111.1 | 179 | 36.1 | 0 | 0 | 0 | 0 | 109.9 | S484 | S482-S484 PolarHBondContact O-N 2.87Š|
| 483 | L | 41.1 | Very low | 40.3 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -62.6 | 108 | -177.1 | -66.9 | 174.1 | 0 | 0 | 0 | 111.8 | F485 | L483-F485 PolarHBondContact O-N 3.21Š|
| 484 | S | 38.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -85.1 | 106.3 | 177.4 | 47.6 | 0 | 0 | 0 | 0 | 110.9 | S482 S486 | S482-S484 PolarHBondContact O-N 2.87Å; S484-S486 PolarHBondContact O-N 3.19Å |
| 485 | F | 36.7 | Very low | 41.2 | Very low | 195 Ų | 195 | 140.7 Ų | 140.7 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -77.5 | 81.4 | -176.1 | -140.5 | -86.8 | 0 | 0 | 0 | 111.5 | L483 | L483-F485 PolarHBondContact O-N 3.21Š|
| 486 | S | 49.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 51% | 0.51 | 80% | 0.795 | S | S | . | * | | | trans | -74.7 | 139.4 | -179.2 | -170.1 | 0 | 0 | 0 | 0 | 113 | S484 E488 | S484-S486 PolarHBondContact O-N 3.19Å; S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 3.16Å |
| 487 | V | 43 | Very low | 41.7 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 67% | 0.673 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -68.9 | -22.9 | -175.2 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | A489 I490 | V487-A489 PolarHBondContact O-N 2.93Å; V487-A489 VanDerWaalsContact O-N 3.08Å; V487-I490 PolarHBondContact O-N 3.11Å |
| 488 | E | 48 | Very low | 41.9 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -51 | -32.5 | 177.3 | -125.6 | 74.4 | -146 | 0 | 0 | 113.9 | S486 I490 | S486-E488 VanDerWaalsContact C-N 3.26Å; S486-E488 PolarHBondContact O-N 3.16Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 3.38Å |
| 489 | A | 48.9 | Very low | 42.1 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -68.8 | -19.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V487 | V487-A489 PolarHBondContact O-N 2.93Å; V487-A489 VanDerWaalsContact O-N 3.08Å |
| 490 | I | 48.5 | Very low | 42.3 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 65% | 0.651 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -86.3 | -30 | -172.5 | -60.4 | 176.4 | 0 | 0 | 0 | 111.9 | V487 E488 K492 | V487-I490 PolarHBondContact O-N 3.11Å; E488-I490 VanDerWaalsContact C-N 3.26Å; E488-I490 PolarHBondContact O-N 3.38Å; I490-K492 VanDerWaalsContact C-N 3.3Å; I490-K492 PolarHBondContact O-N 3.19Å |
| 491 | L | 43.1 | Very low | 42.3 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -85.1 | 8.5 | -172.2 | -68.7 | 174.5 | 0 | 0 | 0 | 114.7 | | |
| 492 | K | 48.2 | Very low | 42.6 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | -132.7 | 56.6 | -171.2 | -150.2 | 168.4 | -172.3 | 174.3 | 0 | 114.7 | I490 | I490-K492 VanDerWaalsContact C-N 3.3Å; I490-K492 PolarHBondContact O-N 3.19Å |
| 493 | R | 42 | Very low | 42.7 | Very low | 228 Ų | 228 | 151.2 Ų | 151.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -111.9 | 132.1 | 158.2 | -66.4 | -173.4 | -175.5 | 179 | 1.2 | 109.8 | | |
| 494 | P | 42.3 | Very low | 42.8 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -70.5 | 144.4 | 169.9 | 30.8 | -33.6 | 0 | 0 | 0 | 110.3 | V496 | P494-V496 PolarHBondContact O-N 2.83Š|
| 495 | A | 39.8 | Very low | 43.1 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -74.8 | 119.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 496 | V | 41.6 | Very low | 43.5 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -93.5 | 99.7 | 174 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | P494 | P494-V496 PolarHBondContact O-N 2.83Š|
| 497 | S | 40.9 | Very low | 43.1 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -67.7 | 127.8 | 169.2 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 498 | R | 36.2 | Very low | 43.1 | Very low | 243 Ų | 243 | 157.8 Ų | 157.8 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | -128 | 116.7 | 162.2 | -155.3 | 168.3 | -170.1 | 160.9 | 2.8 | 108.9 | | |
| 499 | A | 41.8 | Very low | 42.7 | Very low | 90 Ų | 90 | 157.8 Ų | 157.8 | 74% | 0.744 | 83% | 0.833 | S | S | * | * | | | trans | -84.2 | 173.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 500 | F | 39.2 | Very low | 42.2 | Very low | 211 Ų | 211 | 164.2 Ų | 164.2 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | | | trans | -40.4 | 137.4 | 167.4 | -67.1 | -101.1 | 0 | 0 | 0 | 113.1 | | |
| 501 | H | 42.5 | Very low | 41.6 | Very low | 252 Ų | 252 | 167.5 Ų | 167.5 | 100% | 1.167 | 87% | 0.865 | S | S | * | * | | | | -146.9 | 0 | 109.6 | -145.9 | -49.2 | 0 | 0 | 0 | 110.7 | | |