| 1 | M | 41.3 | Very low | 45.2 | Very low | 246 Ų | 246 | 155.5 Ų | 155.5 | 100% | 1.212 | 80% | 0.8 | S | S | * | * | | | | 0 | 144.6 | 0 | -63.8 | 170.2 | -177.8 | 0 | 0 | 106.8 | | |
| 2 | N | 44.9 | Very low | 44.5 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -79.6 | 155.3 | 179.1 | -96.4 | -18.4 | 0 | 0 | 0 | 111.9 | | |
| 3 | L | 47.3 | Very low | 43.6 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | 176.9 | 110.5 | 146.1 | -91.9 | 166 | 0 | 0 | 0 | 104.9 | | |
| 4 | T | 48.4 | Very low | 43 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | | 87 | 132 | 74.4 | -73 | 0 | 0 | 0 | 0 | 112.1 | | |
| 5 | E | 51.7 | Low | 42.6 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | cis | -157.9 | -133.1 | -17 | -160.3 | -160.6 | 157.2 | 0 | 0 | 110.7 | | |
| 6 | P | 61 | Low | 42.9 | Very low | 86 Ų | 86 | 146.3 Ų | 146.3 | 56% | 0.558 | 79% | 0.788 | S | S | * | * | | | trans | -122.9 | -179 | -137.9 | 44.4 | -27.6 | 0 | 0 | 0 | 116.5 | | |
| 7 | N | 38.7 | Very low | 42.2 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | -152.7 | 130.8 | 130.5 | -118.1 | -103.4 | 0 | 0 | 0 | 112.5 | | |
| 8 | L | 39.1 | Very low | 41.8 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | trans | -115.6 | 170.7 | 167.1 | -90.5 | 168.1 | 0 | 0 | 0 | 106.4 | | |
| 9 | P | 51.2 | Low | 41.5 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | | | cis | -124.1 | 161.9 | 32.1 | 5.4 | 23.3 | 0 | 0 | 0 | 115 | | |
| 10 | R | 40.4 | Very low | 42 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | 76.2 | 140 | 70.5 | -145.2 | -175.9 | 163.7 | 179.8 | -12.9 | 111.5 | | |
| 11 | E | 33.8 | Very low | 41.5 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | cis | -145.3 | 170.3 | 24.7 | -164.6 | 129.9 | -147.1 | 0 | 0 | 115.1 | | |
| 12 | A | 36.6 | Very low | 41.1 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | | | trans | -62.1 | 158.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 13 | S | 33.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | | | | -175.6 | 159 | 82.4 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 14 | L | 35.1 | Very low | 39.6 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | cis | -154.5 | -163 | -0.8 | -127 | 171.9 | 0 | 0 | 0 | 110 | | |
| 15 | H | 35.9 | Very low | 39.1 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | -133 | 155.5 | 175.3 | -149.6 | -140.7 | 0 | 0 | 0 | 109.2 | | |
| 16 | P | 47.9 | Very low | 38.4 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | | -152.4 | 139 | 77.5 | 37.9 | -17.1 | 0 | 0 | 0 | 119.1 | | |
| 17 | S | 31.3 | Very low | 37.4 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 50% | 0.503 | 78% | 0.775 | S | S | . | * | | | trans | 57.3 | 101.7 | 130.6 | -167.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 18 | Q | 34 | Very low | 36.9 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | | | | 65.3 | 115.6 | 126.4 | -62 | -176.7 | 95.3 | 0 | 0 | 123.9 | | |
| 19 | M | 36.3 | Very low | 37 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | 67.3 | 162.9 | 124.2 | -60.3 | -58.5 | -170.1 | 0 | 0 | 121.1 | | |
| 20 | P | 51.3 | Low | 36.9 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | | | cis | -133.1 | -172 | -23.6 | 23.8 | 1.1 | 0 | 0 | 0 | 114.5 | | |
| 21 | F | 31.5 | Very low | 36.5 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 78% | 0.781 | S | S | * | * | | | trans | 71.7 | 111 | 161.3 | -63.3 | -71.6 | 0 | 0 | 0 | 122 | | |
| 22 | G | 32.8 | Very low | 37.6 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | | 75.3 | 106.2 | 104.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 23 | G | 31.1 | Very low | 37.6 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -151.8 | 130.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 24 | R | 30.5 | Very low | 37.9 | Very low | 235 Ų | 235 | 139.7 Ų | 139.7 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | cis | 67.4 | 110.9 | 47.3 | -161.7 | 175.4 | -170.7 | -139.4 | -1.7 | 113.2 | | |
| 25 | W | 37 | Very low | 38.1 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -80.6 | 146.2 | 179 | -67.6 | 65.3 | 0 | 0 | 0 | 112 | | |
| 26 | T | 37.4 | Very low | 38.9 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -138.8 | 129.3 | 160.3 | 47.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 27 | S | 40 | Very low | 38.2 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | trans | -72.3 | 152.3 | 167 | 51 | 0 | 0 | 0 | 0 | 111.8 | | |
| 28 | E | 28.8 | Very low | 38.4 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -152.7 | 163.1 | 141.1 | -79.8 | -138.4 | 106.8 | 0 | 0 | 110.6 | | |
| 29 | T | 41.2 | Very low | 38.2 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -113.8 | 157.2 | 178.3 | -47.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 30 | P | 48.9 | Very low | 37.9 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | | | trans | -141.8 | 151.6 | 142.1 | 36.8 | -23.3 | 0 | 0 | 0 | 115.8 | | |
| 31 | S | 32.7 | Very low | 36.9 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -136.4 | 147.9 | 153.5 | -59.1 | 0 | 0 | 0 | 0 | 108 | | |
| 32 | P | 55.7 | Low | 36.9 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | | -141.4 | 179.1 | 124.4 | 33.1 | -16.7 | 0 | 0 | 0 | 113.1 | | |
| 33 | A | 37.6 | Very low | 36.9 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | -122.2 | 169.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 34 | S | 38.4 | Very low | 37.2 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -170.2 | 144.5 | 145.9 | -76.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 35 | D | 40.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -87.7 | -179.9 | 164.9 | -114.2 | -47.7 | 0 | 0 | 0 | 109.7 | | |
| 36 | P | 52.4 | Low | 37.1 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | cis | -151.8 | 177.7 | 33.1 | 44.8 | -23.6 | 0 | 0 | 0 | 120.5 | | |
| 37 | E | 33.1 | Very low | 36.6 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 74.3 | 157.6 | 143.1 | -87.8 | -176.4 | 137.8 | 0 | 0 | 123.9 | | |
| 38 | M | 35.4 | Very low | 36.1 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 157 | 173.1 | -47.6 | -61.9 | 176.8 | 0 | 0 | 118.1 | | |
| 39 | D | 28.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | cis | -165.1 | 172.1 | -47.4 | -149.4 | -49.3 | 0 | 0 | 0 | 108.5 | | |
| 40 | F | 29.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | | | trans | 69.5 | 97.1 | 148.6 | -134.1 | -103.4 | 0 | 0 | 0 | 123.4 | | |
| 41 | E | 31.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | | 56.7 | 172.6 | 122.9 | -62.6 | -116.7 | 88.9 | 0 | 0 | 124.8 | | |
| 42 | E | 32.2 | Very low | 35.6 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 75.9 | 102.1 | 166.1 | -133.2 | 171.9 | 123 | 0 | 0 | 117.8 | | |
| 43 | S | 31.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | | | cis | 95.9 | 97.9 | 36.3 | -63.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 44 | L | 37.8 | Very low | 35.2 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 88% | 0.88 | 77% | 0.765 | S | S | * | * | | | trans | -149.9 | 142.7 | 157.3 | -70.3 | 178.7 | 0 | 0 | 0 | 108.9 | | |
| 45 | S | 32.8 | Very low | 34.8 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | cis | 174.9 | 148.7 | -29.9 | 46.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 46 | A | 32.3 | Very low | 34.4 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | 95 | 113.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 47 | D | 27.2 | Very low | 34 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | cis | 71.7 | 135.9 | 47.1 | -57.9 | -64 | 0 | 0 | 0 | 113.2 | | |
| 48 | C | 29.5 | Very low | 34 | Very low | 114 Ų | 114 | 132 Ų | 132 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | cis | -136 | 149.1 | 25 | -57.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 49 | S | 30 | Very low | 33.8 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | 51.6 | 125.6 | 135.3 | -53.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 50 | S | 32.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -78.8 | -171.6 | 152.8 | -124.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 51 | P | 51.3 | Low | 33.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | cis | -130.1 | -176 | -0.8 | 42.9 | -26.8 | 0 | 0 | 0 | 114.4 | | |
| 52 | D | 27 | Very low | 34.6 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | | -178.6 | 163.2 | 112.4 | -121.3 | -40 | 0 | 0 | 0 | 115.2 | | |
| 53 | A | 32.2 | Very low | 34.7 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -164.6 | -179.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 54 | P | 52.9 | Low | 35 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | cis | -125.6 | 170.4 | -18.5 | 40.6 | -27.1 | 0 | 0 | 0 | 113.5 | | |
| 55 | A | 30.3 | Very low | 34.6 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -159.8 | 113.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 56 | E | 32.2 | Very low | 34.5 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -77.1 | 165.8 | 146.1 | -99.1 | -83.5 | 130 | 0 | 0 | 108 | R58 | E56-R58 PolarHBondContact OE2-N 3.32Š|
| 57 | P | 44.2 | Very low | 34.7 | Very low | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | cis | -163.4 | 171.2 | 45 | 49.1 | -27.3 | 0 | 0 | 0 | 122.7 | | |
| 58 | R | 31.7 | Very low | 34.9 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 75% | 0.751 | 78% | 0.781 | S | S | * | * | | | trans | 80.1 | 135.4 | 144.3 | -57.4 | -136 | -173.2 | -152.8 | -0.4 | 124.3 | E56 | E56-R58 PolarHBondContact OE2-N 3.32Š|
| 59 | R | 31.7 | Very low | 35 | Very low | 232 Ų | 232 | 134.7 Ų | 134.7 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | | | trans | 70.3 | 135 | 152.2 | -68.3 | 173.4 | -169.4 | -88.2 | 8.3 | 117.6 | | |
| 60 | G | 29.6 | Very low | 35.3 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | | | cis | 179.9 | 179.6 | -4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 61 | E | 32.2 | Very low | 35.4 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | | | trans | -35.6 | 160.5 | 172.7 | -71.5 | -82.8 | 108.9 | 0 | 0 | 117.2 | R63 | E61-R63 WeakPolarHBondContact OE2-CB 3.46Š|
| 62 | P | 45.8 | Very low | 34.6 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | -120.3 | 165.9 | 19.7 | 17.1 | 7.7 | 0 | 0 | 0 | 114.3 | | |
| 63 | R | 34.9 | Very low | 34.9 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | cis | 93.8 | 87.5 | 31 | -170.6 | -158.3 | 158.7 | 128.2 | -2.2 | 116.1 | E61 | E61-R63 WeakPolarHBondContact OE2-CB 3.46Š|
| 64 | M | 36 | Very low | 34.9 | Very low | 186 Ų | 186 | 140 Ų | 140 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -154.5 | 128.3 | 132.6 | 48.3 | -93.2 | 177.2 | 0 | 0 | 108.7 | | |
| 65 | A | 30.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | | | cis | 124 | 94.8 | 7.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 66 | L | 30.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | 68.2 | 145.3 | 156.5 | -51.5 | 179 | 0 | 0 | 0 | 115.8 | | |
| 67 | T | 34.8 | Very low | 35 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | cis | -135.8 | 164.1 | 48.8 | 49.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 68 | V | 32.6 | Very low | 34.8 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -93.9 | 145.7 | 173.7 | 166.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 69 | G | 31.3 | Very low | 35.5 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -156.4 | 39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 70 | S | 36.2 | Very low | 35.5 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -78 | 128.2 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 71 | R | 34.6 | Very low | 35.7 | Very low | 226 Ų | 226 | 132.6 Ų | 132.6 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -165.7 | 115.1 | 154.8 | -112.4 | 172.6 | 116.2 | 173 | 1 | 110.5 | | |
| 72 | G | 34.6 | Very low | 35.8 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -93.9 | 166.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 73 | Q | 34 | Very low | 35.6 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -170 | 125.7 | 154.3 | -102.2 | 141.5 | 109.3 | 0 | 0 | 109.3 | | |
| 74 | S | 32.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -111.4 | 150.4 | 151.9 | -53.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 75 | P | 47.9 | Very low | 36.2 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | | -134.2 | -164.6 | 79.8 | 42.4 | -28.4 | 0 | 0 | 0 | 110.6 | | |
| 76 | D | 27.6 | Very low | 36.6 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | cis | -148.2 | -176.2 | 5.5 | -157.9 | 0.8 | 0 | 0 | 0 | 111.1 | | |
| 77 | L | 41.6 | Very low | 37.3 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -91.8 | 168.5 | -170.5 | -70.9 | 170.9 | 0 | 0 | 0 | 116.6 | | |
| 78 | T | 39.9 | Very low | 37.6 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -59.8 | 161.7 | 178.7 | -5.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 79 | P | 46.9 | Very low | 38.1 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | | | | -140.9 | 156.7 | 112.6 | 38.5 | -27.8 | 0 | 0 | 0 | 115 | | |
| 80 | G | 31.8 | Very low | 38.8 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 156.3 | 93.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 81 | G | 32.4 | Very low | 39.2 | Very low | 88 Ų | 88 | 124.6 Ų | 124.6 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | -95.4 | 150.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 82 | G | 35.1 | Very low | 39.7 | Very low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | | | trans | -167.4 | 145.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L84 | G82-L84 PolarHBondContact O-N 2.98Š|
| 83 | P | 41.8 | Very low | 40.3 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -78.5 | 112.6 | -171.6 | 30.2 | -33.9 | 0 | 0 | 0 | 112.2 | A85 | P83-A85 PolarHBondContact O-N 3.08Š|
| 84 | L | 36.5 | Very low | 40.8 | Very low | 181 Ų | 181 | 113.9 Ų | 113.9 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | trans | -82.7 | 90.2 | 174 | -77.2 | 171.5 | 0 | 0 | 0 | 111.5 | G82 | G82-L84 PolarHBondContact O-N 2.98Š|
| 85 | A | 46.7 | Very low | 41.8 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -83.4 | 145.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P83 | P83-A85 PolarHBondContact O-N 3.08Š|
| 86 | G | 39.1 | Very low | 42 | Very low | 81 Ų | 81 | 112.7 Ų | 112.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | 91 | 98.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 87 | A | 45.9 | Very low | 44.5 | Very low | 116 Ų | 116 | 114.9 Ų | 114.9 | 96% | 0.959 | 79% | 0.793 | S | S | * | * | | | trans | -79.1 | 125 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 88 | G | 39.8 | Very low | 46.8 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -165.6 | 137.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G90 | G88-G90 PolarHBondContact O-N 3.3Š|
| 89 | D | 43.7 | Very low | 49.4 | Very low | 168 Ų | 168 | 111.9 Ų | 111.9 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | trans | -63.7 | 110.3 | -168.8 | -60.2 | -100.1 | 0 | 0 | 0 | 114.4 | K91 | D89-K91 PolarHBondContact O-N 3.18Š|
| 90 | G | 46.1 | Very low | 51.7 | Low | 86 Ų | 86 | 114.8 Ų | 114.8 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | | | trans | -73.5 | 89 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G88 | G88-G90 PolarHBondContact O-N 3.3Š|
| 91 | K | 45.5 | Very low | 54.8 | Low | 202 Ų | 202 | 118.5 Ų | 118.5 | 88% | 0.878 | 75% | 0.745 | S | S | * | * | | | trans | -147.7 | 48.1 | 169.9 | -155.2 | 161.7 | -173.5 | 166.7 | 0 | 115.1 | D89 | D89-K91 PolarHBondContact O-N 3.18Š|
| 92 | A | 44.2 | Very low | 58 | Low | 45 Ų | 45 | 116.4 Ų | 116.4 | 37% | 0.372 | 72% | 0.715 | S | S | . | * | | | trans | -150.7 | 16.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | G94 A95 | A92-G94 PolarHBondContact O-N 2.73Å; A92-A95 PolarHBondContact O-N 2.83Å |
| 93 | S | 47.1 | Very low | 61 | Low | 103 Ų | 103 | 117.3 Ų | 117.3 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 10.5 | -168.1 | 52 | 0 | 0 | 0 | 0 | 117.6 | E96 | S93-E96 VanDerWaalsContact CA-OE2 3.26Å; S93-E96 WeakPolarHBondContact CA-OE2 3.26Å; S93-E96 VanDerWaalsContact CB-OE2 3.26Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å |
| 94 | G | 43.9 | Very low | 63.7 | Low | 87 Ų | 87 | 115.4 Ų | 115.4 | 90% | 0.897 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -3.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A92 | A92-G94 PolarHBondContact O-N 2.73Š|
| 95 | A | 54.7 | Low | 66.6 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -123.7 | 9.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A92 Q97 R98 | A92-A95 PolarHBondContact O-N 2.83Å; A95-Q97 VanDerWaalsContact C-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.36Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; A95-R98 PolarHBondContact O-N 2.9Å; A95-R98 VanDerWaalsContact O-N 3.16Å |
| 96 | E | 52.3 | Low | 69.1 | Low | 147 Ų | 147 | 105.1 Ų | 105.1 | 69% | 0.687 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -19.2 | -155.8 | -157.4 | 125.7 | -122.2 | 0 | 0 | 115.3 | S93 | S93-E96 VanDerWaalsContact CA-OE2 3.26Å; S93-E96 WeakPolarHBondContact CA-OE2 3.26Å; S93-E96 VanDerWaalsContact CB-OE2 3.26Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å |
| 97 | Q | 79.6 | Confident | 71.9 | Confident | 196 Ų | 196 | 105.7 Ų | 105.7 | 92% | 0.916 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -3.3 | -179.8 | -67.7 | 173.3 | -6.7 | 0 | 0 | 113.9 | A95 I99 | A95-Q97 VanDerWaalsContact C-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.36Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; Q97-I99 PolarHBondContact O-N 3.03Å |
| 98 | R | 89.2 | Confident | 74.4 | Confident | 151 Ų | 151 | 101 Ų | 101 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -94.6 | 98.6 | 175 | -169.9 | -177.7 | -178.6 | 165.4 | 9.1 | 111.5 | A95 R100 R169 | A95-R98 PolarHBondContact O-N 2.9Å; A95-R98 VanDerWaalsContact O-N 3.16Å; R98-R100 PolarHBondContact O-N 2.66Å; R98-R169 PolarHBondContact NH2-O 2.81Å |
| 99 | I | 94.3 | Very high | 77.2 | Confident | 67 Ų | 67 | 99 Ų | 99 | 34% | 0.344 | 53% | 0.533 | S | S | . | . | | | trans | -46.7 | 122.2 | 165.8 | -59.1 | 167.9 | 0 | 0 | 0 | 110 | Q97 H159 H163 Y166 | Q97-I99 PolarHBondContact O-N 3.03Å; I99-H159 VanDerWaalsContact CG2-CE1 3.44Å; I99-H159 WeakPolarHBondContact CG2-CE1 3.42Å; I99-H163 HydrophobicContact CD1-CB 4.21Å; I99-H163 WeakPolarHBondContact CG2-CD2 3.32Å; I99-Y166 HydrophobicContact CB-CD2 3.92Å; I99-Y166 HydrophobicContact CB-CE2 3.99Å; I99-Y166 HydrophobicContact CD1-CD2 4.41Å; I99-Y166 HydrophobicContact CG2-CD2 3.41Å; I99-Y166 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y166 HydrophobicContact CG2-CE2 3.57Å; I99-Y166 HydrophobicContact CG2-CG 4.43Å |
| 100 | R | 95.8 | Very high | 79.8 | Confident | 192 Ų | 192 | 91 Ų | 91 | 73% | 0.725 | 49% | 0.49 | S | S | * | . | | | trans | -76.6 | 176.2 | 177.7 | -64.7 | -173 | 179.2 | -143.5 | 2.8 | 110.2 | R98 H159 | R98-R100 PolarHBondContact O-N 2.66Å; R100-H159 PolarHBondContact O-CE1 2.83Å; R100-H159 PolarHBondContact O-NE2 3.15Å |
| 101 | R | 97.9 | Very high | 82.3 | Confident | 157 Ų | 157 | 92.6 Ų | 92.6 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 153.5 | 169.4 | -51.9 | -172.9 | -155.4 | -152.9 | 5.8 | 109.1 | Y168 | R101-Y168 VanDerWaalsContact NH1-CZ 3.31Å; R101-Y168 PolarHBondContact NH1-OH 3.18Å; R101-Y168 VanDerWaalsContact NH2-CE2 3.27Å; R101-Y168 PolarHBondContact NH2-OH 3.37Å |
| 102 | P | 98.3 | Very high | 84.8 | Confident | 43 Ų | 43 | 87.1 Ų | 87.1 | 28% | 0.279 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 158.2 | 159.5 | 28.8 | -33.3 | 0 | 0 | 0 | 110 | H159 | P102-H159 HydrophobicContact CB-CB 4.04Å; P102-H159 HydrophobicContact CG-CB 4.23Å |
| 103 | M | 98.3 | Very high | 87.3 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 39% | 0.389 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 134.1 | 175 | -63.5 | -173.1 | -64.7 | 0 | 0 | 109.5 | M107 V108 L155 | M103-M107 HydrophobicContact CB-CB 4.04Å; M103-M107 HydrophobicContact CG-CB 4.41Å; M103-V108 HydrophobicContact CB-CG2 3.77Å; M103-V108 HydrophobicContact CE-CG2 4.35Å; M103-L155 HydrophobicContact CB-CD1 4.34Å; M103-L155 HydrophobicContact CE-CD1 3.9Å |
| 104 | N | 98.6 | Very high | 89.8 | Confident | 94 Ų | 94 | 84.5 Ų | 84.5 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 168.7 | 168 | 70.6 | 0.2 | 0 | 0 | 0 | 110.6 | F106 M107 V108 | N104-F106 VanDerWaalsContact C-N 3.3Å; N104-F106 PolarHBondContact O-N 2.7Å; N104-F106 VanDerWaalsContact O-N 3.17Å; N104-M107 CarbonylContact O-C 3.31Å; N104-M107 WeakPolarHBondContact O-CA 3.02Å; N104-M107 PolarHBondContact O-N 3.02Å; N104-M107 WeakPolarHBondContact OD1-CB 3.14Å; N104-M107 WeakPolarHBondContact OD1-CG 3.49Å; N104-M107 PolarHBondContact OD1-N 3.42Å; N104-M107 VanDerWaalsContact OD1-N 3.08Å; N104-V108 PolarHBondContact O-N 3.33Å |
| 105 | A | 98.4 | Very high | 92.4 | Very high | 15 Ų | 15 | 86.9 Ų | 86.9 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.3 | -45 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M107 V108 W109 W137 F148 V149 A152 | A105-M107 PolarHBondContact O-N 3.03Å; A105-V108 PolarHBondContact O-N 2.84Å; A105-W109 PolarHBondContact O-N 3.25Å; A105-W137 HydrophobicContact CB-CH2 3.88Å; A105-W137 HydrophobicContact CB-CZ2 3.98Å; A105-F148 VanDerWaalsContact CA-O 3.27Å; A105-F148 WeakPolarHBondContact CA-O 3.46Å; A105-F148 HydrophobicContact CB-CB 4.37Å; A105-F148 WeakPolarHBondContact CB-O 3.32Å; A105-V149 HydrophobicContact CB-CB 4.41Å; A105-V149 HydrophobicContact CB-CG2 3.79Å; A105-A152 HydrophobicContact CB-CB 4.14Å; A105-A152 VanDerWaalsContact N-CB 3.29Å |
| 106 | F | 98.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 89.1 Ų | 89.1 | 20% | 0.202 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.4 | 173.3 | -102.4 | 0 | 0 | 0 | 112.6 | N104 W109 A110 L133 W137 | N104-F106 VanDerWaalsContact C-N 3.3Å; N104-F106 PolarHBondContact O-N 2.7Å; N104-F106 VanDerWaalsContact O-N 3.17Å; F106-W109 HydrophobicContact CD2-CE3 4.04Å; F106-W109 HydrophobicContact CD2-CZ3 4.15Å; F106-W109 HydrophobicContact CE2-CE3 4.14Å; F106-W109 AromaticContact CE2-CZ3 3.82Å; F106-W109 HydrophobicContact CE2-CZ3 3.82Å; F106-A110 HydrophobicContact CD2-CB 4.48Å; F106-A110 HydrophobicContact CE1-CB 4.27Å; F106-A110 HydrophobicContact CE2-CB 4.19Å; F106-A110 HydrophobicContact CZ-CB 4.07Å; F106-A110 WeakPolarHBondContact O-CA 3.26Å; F106-A110 WeakPolarHBondContact O-CB 3.25Å; F106-A110 PolarHBondContact O-N 3.17Å; F106-L133 HydrophobicContact CE2-CB 4.38Å; F106-L133 HydrophobicContact CZ-CB 4.29Å; F106-W137 HydrophobicContact CB-CD2 4.41Å; F106-W137 HydrophobicContact CD2-CB 3.7Å; F106-W137 AromaticContact CD2-CD1 3.84Å; F106-W137 AromaticContact CD2-CD2 3.97Å; F106-W137 HydrophobicContact CD2-CD2 3.97Å; F106-W137 AromaticContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CE2-CB 3.87Å; F106-W137 HydrophobicContact CE2-CG 4.22Å |
| 107 | M | 98.6 | Very high | 96.5 | Very high | 92 Ų | 92 | 82.9 Ų | 82.9 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.5 | -30 | 179.3 | -69.9 | -69.5 | 177.8 | 0 | 0 | 113 | M103 N104 A105 K111 | M103-M107 HydrophobicContact CB-CB 4.04Å; M103-M107 HydrophobicContact CG-CB 4.41Å; N104-M107 CarbonylContact O-C 3.31Å; N104-M107 WeakPolarHBondContact O-CA 3.02Å; N104-M107 PolarHBondContact O-N 3.02Å; N104-M107 WeakPolarHBondContact OD1-CB 3.14Å; N104-M107 WeakPolarHBondContact OD1-CG 3.49Å; N104-M107 PolarHBondContact OD1-N 3.42Å; N104-M107 VanDerWaalsContact OD1-N 3.08Å; A105-M107 PolarHBondContact O-N 3.03Å; M107-K111 PolarHBondContact O-N 3.37Å |
| 108 | V | 98.6 | Very high | 97.4 | Very high | 18 Ų | 18 | 75.2 Ų | 75.2 | 11% | 0.109 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.6 | -59.9 | 170.1 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | M103 N104 A105 A110 K111 F148 E151 A152 L155 | M103-V108 HydrophobicContact CB-CG2 3.77Å; M103-V108 HydrophobicContact CE-CG2 4.35Å; N104-V108 PolarHBondContact O-N 3.33Å; A105-V108 PolarHBondContact O-N 2.84Å; V108-A110 PolarHBondContact O-N 3.06Å; V108-K111 VanDerWaalsContact O-CB 3.23Å; V108-K111 WeakPolarHBondContact O-CB 3.2Å; V108-K111 PolarHBondContact O-N 3.04Å; V108-F148 HydrophobicContact CG1-CD1 4.14Å; V108-E151 HydrophobicContact CG1-CB 4.38Å; V108-E151 HydrophobicContact CG1-CG 3.8Å; V108-E151 HydrophobicContact CG2-CG 4.46Å; V108-A152 HydrophobicContact CG2-CB 4.28Å; V108-L155 HydrophobicContact CG2-CD1 3.83Å |
| 109 | W | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 74.5 Ų | 74.5 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 179.8 | 169.4 | 81.2 | 0 | 0 | 0 | 112.9 | A105 F106 K111 D112 E113 L133 W137 L140 F148 | A105-W109 PolarHBondContact O-N 3.25Å; F106-W109 HydrophobicContact CD2-CE3 4.04Å; F106-W109 HydrophobicContact CD2-CZ3 4.15Å; F106-W109 HydrophobicContact CE2-CE3 4.14Å; F106-W109 AromaticContact CE2-CZ3 3.82Å; F106-W109 HydrophobicContact CE2-CZ3 3.82Å; W109-K111 PolarHBondContact O-N 2.95Å; W109-K111 VanDerWaalsContact O-N 3.15Å; W109-D112 PolarHBondContact O-N 3.42Å; W109-E113 HydrophobicContact CH2-CB 4.48Å; W109-E113 HydrophobicContact CH2-CG 4.06Å; W109-E113 HydrophobicContact CZ2-CB 4.1Å; W109-E113 HydrophobicContact CZ2-CG 3.73Å; W109-E113 PolarHBondContact O-N 2.74Å; W109-L133 HydrophobicContact CH2-CB 4.27Å; W109-L133 HydrophobicContact CH2-CD2 3.65Å; W109-L133 WeakPolarHBondContact CH2-O 3.42Å; W109-L133 HydrophobicContact CZ2-CD2 4.49Å; W109-L133 HydrophobicContact CZ3-CB 4Å; W109-L133 HydrophobicContact CZ3-CD2 3.75Å; W109-L133 WeakPolarHBondContact CZ3-O 3.34Å; W109-W137 HydrophobicContact CB-CE3 3.97Å; W109-W137 HydrophobicContact CB-CZ3 3.61Å; W109-W137 AromaticContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CZ3 4.12Å; W109-W137 HydrophobicContact CE3-CB 4.08Å; W109-W137 HydrophobicContact CE3-CD2 4.29Å; W109-W137 AromaticContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CZ3 4.46Å; W109-W137 AromaticContact CG-CE3 3.72Å; W109-W137 HydrophobicContact CG-CE3 3.72Å; W109-W137 AromaticContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CH2-CB 4.14Å; W109-W137 HydrophobicContact CZ3-CB 3.71Å; W109-W137 HydrophobicContact CZ3-CE3 4.41Å; W109-L140 HydrophobicContact CD2-CD1 4.42Å; W109-L140 HydrophobicContact CZ2-CD1 4.12Å; W109-F148 HydrophobicContact CB-CB 4.22Å; W109-F148 HydrophobicContact CB-CD1 3.76Å; W109-F148 HydrophobicContact CB-CD2 4.13Å; W109-F148 HydrophobicContact CB-CE1 4.15Å; W109-F148 HydrophobicContact CB-CE2 4.49Å; W109-F148 HydrophobicContact CB-CG 3.75Å; W109-F148 AromaticContact CD1-CE2 3.65Å; W109-F148 AromaticContact CD1-CZ 3.68Å; W109-F148 HydrophobicContact CG-CD2 4.4Å; W109-F148 HydrophobicContact CG-CE2 4.42Å; W109-F148 HydrophobicContact CG-CG 4.47Å |
| 110 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.6 | -10.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F106 V108 R114 L133 | F106-A110 HydrophobicContact CD2-CB 4.48Å; F106-A110 HydrophobicContact CE1-CB 4.27Å; F106-A110 HydrophobicContact CE2-CB 4.19Å; F106-A110 HydrophobicContact CZ-CB 4.07Å; F106-A110 WeakPolarHBondContact O-CA 3.26Å; F106-A110 WeakPolarHBondContact O-CB 3.25Å; F106-A110 PolarHBondContact O-N 3.17Å; V108-A110 PolarHBondContact O-N 3.06Å; A110-R114 WeakPolarHBondContact O-CB 3.45Å; A110-R114 PolarHBondContact O-N 3.04Å; A110-R114 VanDerWaalsContact O-N 3.15Å; A110-R114 PolarHBondContact O-NH1 3.42Å; A110-L133 HydrophobicContact CB-CD1 4.38Å; A110-L133 HydrophobicContact CB-CD2 4.35Å |
| 111 | K | 98 | Very high | 97.7 | Very high | 118 Ų | 118 | 70.2 Ų | 70.2 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -56.9 | 174 | 179 | -166.8 | 167.1 | -156.3 | 0 | 110.1 | M107 V108 W109 K115 | M107-K111 PolarHBondContact O-N 3.37Å; V108-K111 VanDerWaalsContact O-CB 3.23Å; V108-K111 WeakPolarHBondContact O-CB 3.2Å; V108-K111 PolarHBondContact O-N 3.04Å; W109-K111 PolarHBondContact O-N 2.95Å; W109-K111 VanDerWaalsContact O-N 3.15Å; K111-K115 PolarHBondContact O-N 3.08Å |
| 112 | D | 97.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 47% | 0.471 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -86.6 | -33.1 | -171.7 | -61.1 | -49 | 0 | 0 | 0 | 111.5 | W109 R114 K115 R116 | W109-D112 PolarHBondContact O-N 3.42Å; D112-R114 PolarHBondContact O-N 3.38Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-R116 PolarHBondContact O-N 3.44Å |
| 113 | E | 97.9 | Very high | 97.5 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 18% | 0.182 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.8 | -34.8 | 173.1 | -176.1 | 60.3 | -168.3 | 0 | 0 | 112.3 | W109 K115 R116 L117 L133 | W109-E113 HydrophobicContact CH2-CB 4.48Å; W109-E113 HydrophobicContact CH2-CG 4.06Å; W109-E113 HydrophobicContact CZ2-CB 4.1Å; W109-E113 HydrophobicContact CZ2-CG 3.73Å; W109-E113 PolarHBondContact O-N 2.74Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-R116 VanDerWaalsContact CD-NE 3.31Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-CZ 3.59Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 PolarHBondContact OE1-NE 3.34Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 3.48Å; E113-R116 PolarHBondContact OE1-NH2 2.74Å; E113-R116 WeakPolarHBondContact OE2-CD 3.43Å; E113-R116 IonicContact OE2-CZ 3.63Å; E113-R116 IonicContact OE2-NE 2.71Å; E113-R116 PolarHBondContact OE2-NE 2.89Å; E113-R116 IonicContact OE2-NH2 3.66Å; E113-L117 HydrophobicContact CG-CD1 4.47Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 3.41Å; E113-L133 HydrophobicContact CB-CD2 3.74Å; E113-L133 HydrophobicContact CG-CD2 3.42Å; E113-L133 VanDerWaalsContact CG-CD2 3.42Å |
| 114 | R | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 20% | 0.2 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 171.2 | -173.2 | -176.8 | -66.2 | 99.5 | -2.3 | 111.5 | A110 D112 L117 A118 N126 L129 L133 | A110-R114 WeakPolarHBondContact O-CB 3.45Å; A110-R114 PolarHBondContact O-N 3.04Å; A110-R114 VanDerWaalsContact O-N 3.15Å; A110-R114 PolarHBondContact O-NH1 3.42Å; D112-R114 PolarHBondContact O-N 3.38Å; R114-L117 PolarHBondContact O-N 2.94Å; R114-A118 VanDerWaalsContact O-CB 3.27Å; R114-A118 WeakPolarHBondContact O-CB 3.21Å; R114-A118 PolarHBondContact O-N 2.81Å; R114-N126 WeakPolarHBondContact CD-OD1 3.36Å; R114-L129 HydrophobicContact CG-CD1 4.38Å; R114-L133 HydrophobicContact CB-CD1 3.61Å; R114-L133 HydrophobicContact CG-CD1 3.94Å |
| 115 | K | 98.1 | Very high | 97.3 | Very high | 137 Ų | 137 | 74.4 Ų | 74.4 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.3 | -44.5 | 175.7 | -175.7 | -176 | 176.6 | -174.1 | 0 | 110.3 | K111 D112 E113 A118 L119 | K111-K115 PolarHBondContact O-N 3.08Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 2.87Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; K115-A118 PolarHBondContact O-N 3.14Å; K115-L119 HydrophobicContact CG-CD1 4.15Å; K115-L119 WeakPolarHBondContact O-CD1 3.33Å; K115-L119 VanDerWaalsContact O-CG 3.3Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 3.15Å |
| 116 | R | 97.9 | Very high | 97.2 | Very high | 113 Ų | 113 | 77.9 Ų | 77.9 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.2 | -51.5 | 175.3 | -160.3 | -168.9 | 68.5 | 82.1 | 1.3 | 111.3 | D112 E113 L119 Q120 | D112-R116 PolarHBondContact O-N 3.44Å; E113-R116 VanDerWaalsContact CD-NE 3.31Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-CZ 3.59Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 PolarHBondContact OE1-NE 3.34Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 3.48Å; E113-R116 PolarHBondContact OE1-NH2 2.74Å; E113-R116 WeakPolarHBondContact OE2-CD 3.43Å; E113-R116 IonicContact OE2-CZ 3.63Å; E113-R116 IonicContact OE2-NE 2.71Å; E113-R116 PolarHBondContact OE2-NE 2.89Å; E113-R116 IonicContact OE2-NH2 3.66Å; R116-L119 PolarHBondContact O-N 3.03Å; R116-Q120 VanDerWaalsContact C-NE2 3.34Å; R116-Q120 PolarHBondContact O-N 3.43Å; R116-Q120 PolarHBondContact O-NE2 3.47Å |
| 117 | L | 96.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 78.9 Ų | 78.9 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | -179.4 | -69.2 | 174.5 | 0 | 0 | 0 | 113 | E113 R114 L119 Q120 N121 L129 L133 | E113-L117 HydrophobicContact CG-CD1 4.47Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 3.41Å; R114-L117 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.15Å; L117-Q120 PolarHBondContact O-N 3.03Å; L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 2.9Å; L117-N121 PolarHBondContact O-ND2 2.92Å; L117-L129 HydrophobicContact CB-CD2 4.05Å; L117-L133 HydrophobicContact CD1-CD2 4.02Å; L117-L133 HydrophobicContact CD1-CG 4.14Å |
| 118 | A | 97.4 | Very high | 97.1 | Very high | 35 Ų | 35 | 77.7 Ų | 77.7 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.1 | -31.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R114 K115 N121 P122 L129 | R114-A118 VanDerWaalsContact O-CB 3.27Å; R114-A118 WeakPolarHBondContact O-CB 3.21Å; R114-A118 PolarHBondContact O-N 2.81Å; K115-A118 PolarHBondContact O-N 3.14Å; A118-N121 CarbonylContact O-C 3.41Å; A118-N121 VanDerWaalsContact O-C 3.31Å; A118-N121 PolarHBondContact O-N 2.93Å; A118-P122 WeakPolarHBondContact O-CA 3.48Å; A118-L129 HydrophobicContact CB-CD1 3.89Å |
| 119 | L | 97.1 | Very high | 97 | Very high | 136 Ų | 136 | 76.9 Ų | 76.9 | 71% | 0.712 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.5 | -34.8 | 173.4 | -76 | 163.9 | 0 | 0 | 0 | 112.6 | K115 R116 L117 | K115-L119 HydrophobicContact CG-CD1 4.15Å; K115-L119 WeakPolarHBondContact O-CD1 3.33Å; K115-L119 VanDerWaalsContact O-CG 3.3Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 3.15Å; R116-L119 PolarHBondContact O-N 3.03Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.15Å |
| 120 | Q | 96.3 | Very high | 97 | Very high | 109 Ų | 109 | 78 Ų | 78 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -78.3 | -26.6 | 174.4 | -75.7 | 154.8 | 100.5 | 0 | 0 | 112.8 | R116 L117 | R116-Q120 VanDerWaalsContact C-NE2 3.34Å; R116-Q120 PolarHBondContact O-N 3.43Å; R116-Q120 PolarHBondContact O-NE2 3.47Å; L117-Q120 PolarHBondContact O-N 3.03Å |
| 121 | N | 93.3 | Very high | 97 | Very high | 61 Ų | 61 | 85.1 Ų | 85.1 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | | | trans | -137.4 | 71 | -171.1 | -53.1 | -97.5 | 0 | 0 | 0 | 110.3 | L117 A118 D123 L124 | L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 2.9Å; L117-N121 PolarHBondContact O-ND2 2.92Å; A118-N121 CarbonylContact O-C 3.41Å; A118-N121 VanDerWaalsContact O-C 3.31Å; A118-N121 PolarHBondContact O-N 2.93Å; N121-D123 PolarHBondContact O-N 3.5Å; N121-L124 HydrophobicContact CB-CB 4Å; N121-L124 HydrophobicContact CB-CD1 3.56Å; N121-L124 HydrophobicContact CB-CG 3.74Å; N121-L124 PolarHBondContact O-N 3.24Å; N121-L124 VanDerWaalsContact O-N 3.11Å |
| 122 | P | 94.5 | Very high | 97 | Very high | 106 Ų | 106 | 82.6 Ų | 82.6 | 69% | 0.688 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -28.9 | -174.2 | 24.5 | -34.6 | 0 | 0 | 0 | 113.3 | A118 | A118-P122 WeakPolarHBondContact O-CA 3.48Š|
| 123 | D | 96.3 | Very high | 97.1 | Very high | 157 Ų | 157 | 78.4 Ų | 78.4 | 84% | 0.84 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13 | -179.8 | -52.2 | -59.8 | 0 | 0 | 0 | 113.8 | N121 H125 | N121-D123 PolarHBondContact O-N 3.5Å; D123-H125 PolarHBondContact O-N 2.96Å |
| 124 | L | 95.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 77.7 Ų | 77.7 | 32% | 0.319 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -77.5 | 115.1 | -178.1 | -76.8 | -174.6 | 0 | 0 | 0 | 112 | N121 V128 L129 M132 | N121-L124 HydrophobicContact CB-CB 4Å; N121-L124 HydrophobicContact CB-CD1 3.56Å; N121-L124 HydrophobicContact CB-CG 3.74Å; N121-L124 PolarHBondContact O-N 3.24Å; N121-L124 VanDerWaalsContact O-N 3.11Å; L124-V128 HydrophobicContact CD2-CG1 4.36Å; L124-L129 HydrophobicContact CB-CD2 3.78Å; L124-L129 HydrophobicContact CB-CG 4.26Å; L124-L129 HydrophobicContact CD1-CD2 4.01Å; L124-M132 HydrophobicContact CD1-SD 4.4Å |
| 125 | H | 97.1 | Very high | 97.1 | Very high | 136 Ų | 136 | 81 Ų | 81 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | | | trans | -60.9 | 142.3 | 177.9 | -171.4 | 70 | 0 | 0 | 0 | 112.6 | D123 A127 V128 L129 | D123-H125 PolarHBondContact O-N 2.96Å; H125-A127 PolarHBondContact O-N 2.94Å; H125-V128 WeakPolarHBondContact O-CB 3.48Å; H125-V128 PolarHBondContact O-N 3.01Å; H125-L129 PolarHBondContact O-N 3.49Å |
| 126 | N | 96.1 | Very high | 97.1 | Very high | 89 Ų | 89 | 77 Ų | 77 | 48% | 0.476 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.2 | -24.3 | -171.9 | -89.1 | -88.6 | 0 | 0 | 0 | 115.2 | R114 S130 | R114-N126 WeakPolarHBondContact CD-OD1 3.36Å; N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.49Å; N126-S130 PolarHBondContact O-N 3.07Å; N126-S130 PolarHBondContact O-OG 3.12Å |
| 127 | A | 97.6 | Very high | 97.1 | Very high | 66 Ų | 66 | 73.9 Ų | 73.9 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -39 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H125 S130 K131 | H125-A127 PolarHBondContact O-N 2.94Å; A127-S130 PolarHBondContact O-N 3.5Å; A127-K131 PolarHBondContact O-N 3.48Å |
| 128 | V | 97.4 | Very high | 97.2 | Very high | 68 Ų | 68 | 81.3 Ų | 81.3 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | L124 H125 S130 K131 M132 | L124-V128 HydrophobicContact CD2-CG1 4.36Å; H125-V128 WeakPolarHBondContact O-CB 3.48Å; H125-V128 PolarHBondContact O-N 3.01Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3Å; V128-K131 WeakPolarHBondContact O-CB 3.36Å; V128-K131 PolarHBondContact O-N 3.2Å; V128-M132 HydrophobicContact CG1-SD 4.37Å; V128-M132 PolarHBondContact O-N 3.48Å |
| 129 | L | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.005 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -55.3 | -43.3 | 174.1 | -58.9 | -176.6 | 0 | 0 | 0 | 111.3 | R114 L117 A118 L124 H125 K131 M132 L133 | R114-L129 HydrophobicContact CG-CD1 4.38Å; L117-L129 HydrophobicContact CB-CD2 4.05Å; A118-L129 HydrophobicContact CB-CD1 3.89Å; L124-L129 HydrophobicContact CB-CD2 3.78Å; L124-L129 HydrophobicContact CB-CG 4.26Å; L124-L129 HydrophobicContact CD1-CD2 4.01Å; H125-L129 PolarHBondContact O-N 3.49Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.41Å; L129-M132 PolarHBondContact O-N 2.79Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 VanDerWaalsContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CD1 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.93Å |
| 130 | S | 98.2 | Very high | 97.2 | Very high | 49 Ų | 49 | 79.7 Ų | 79.7 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.4 | -30.2 | 178.3 | -59 | 0 | 0 | 0 | 0 | 113.5 | N126 A127 V128 G134 | N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.49Å; N126-S130 PolarHBondContact O-N 3.07Å; N126-S130 PolarHBondContact O-OG 3.12Å; A127-S130 PolarHBondContact O-N 3.5Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3Å; S130-G134 PolarHBondContact O-N 2.71Å; S130-G134 VanDerWaalsContact O-N 3.1Å |
| 131 | K | 98.2 | Very high | 97.4 | Very high | 150 Ų | 150 | 76.7 Ų | 76.7 | 65% | 0.652 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.3 | -46.3 | 171.8 | -173.5 | 179.6 | 178.6 | -178 | 0 | 111.3 | A127 V128 L129 G134 Q135 | A127-K131 PolarHBondContact O-N 3.48Å; V128-K131 WeakPolarHBondContact O-CB 3.36Å; V128-K131 PolarHBondContact O-N 3.2Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.41Å; K131-G134 PolarHBondContact O-N 3.46Å; K131-Q135 PolarHBondContact O-N 3.31Å |
| 132 | M | 97.9 | Very high | 97.6 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 176.5 | -64.3 | 168.9 | 69.7 | 0 | 0 | 111.2 | L124 V128 L129 G134 Q135 S136 | L124-M132 HydrophobicContact CD1-SD 4.4Å; V128-M132 HydrophobicContact CG1-SD 4.37Å; V128-M132 PolarHBondContact O-N 3.48Å; L129-M132 PolarHBondContact O-N 2.79Å; M132-G134 VanDerWaalsContact C-N 3.28Å; M132-G134 PolarHBondContact O-N 3.17Å; M132-Q135 WeakPolarHBondContact O-CA 3.45Å; M132-Q135 WeakPolarHBondContact O-CB 3.36Å; M132-Q135 PolarHBondContact O-N 3.44Å; M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 3.4Å |
| 133 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -56 | -41.4 | 176.1 | -71.4 | 161.6 | 0 | 0 | 0 | 112.2 | F106 W109 A110 E113 R114 L117 L129 Q135 S136 W137 | F106-L133 HydrophobicContact CE2-CB 4.38Å; F106-L133 HydrophobicContact CZ-CB 4.29Å; W109-L133 HydrophobicContact CH2-CB 4.27Å; W109-L133 HydrophobicContact CH2-CD2 3.65Å; W109-L133 WeakPolarHBondContact CH2-O 3.42Å; W109-L133 HydrophobicContact CZ2-CD2 4.49Å; W109-L133 HydrophobicContact CZ3-CB 4Å; W109-L133 HydrophobicContact CZ3-CD2 3.75Å; W109-L133 WeakPolarHBondContact CZ3-O 3.34Å; A110-L133 HydrophobicContact CB-CD1 4.38Å; A110-L133 HydrophobicContact CB-CD2 4.35Å; E113-L133 HydrophobicContact CB-CD2 3.74Å; E113-L133 HydrophobicContact CG-CD2 3.42Å; E113-L133 VanDerWaalsContact CG-CD2 3.42Å; R114-L133 HydrophobicContact CB-CD1 3.61Å; R114-L133 HydrophobicContact CG-CD1 3.94Å; L117-L133 HydrophobicContact CD1-CD2 4.02Å; L117-L133 HydrophobicContact CD1-CG 4.14Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 VanDerWaalsContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CD1 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.93Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-W137 WeakPolarHBondContact O-CB 3.16Å; L133-W137 PolarHBondContact O-N 3.04Å |
| 134 | G | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.2 | -25.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S130 K131 M132 K138 | S130-G134 PolarHBondContact O-N 2.71Å; S130-G134 VanDerWaalsContact O-N 3.1Å; K131-G134 PolarHBondContact O-N 3.46Å; M132-G134 VanDerWaalsContact C-N 3.28Å; M132-G134 PolarHBondContact O-N 3.17Å; G134-K138 WeakPolarHBondContact O-CG 3.14Å |
| 135 | Q | 98.4 | Very high | 97.9 | Very high | 121 Ų | 121 | 73 Ų | 73 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -79.6 | -50 | 172.9 | -67.8 | 172.1 | -53 | 0 | 0 | 110.8 | K131 M132 L133 W137 K138 A139 | K131-Q135 PolarHBondContact O-N 3.31Å; M132-Q135 WeakPolarHBondContact O-CA 3.45Å; M132-Q135 WeakPolarHBondContact O-CB 3.36Å; M132-Q135 PolarHBondContact O-N 3.44Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.43Å; Q135-W137 PolarHBondContact O-N 3.09Å; Q135-K138 WeakPolarHBondContact O-CB 3.4Å; Q135-K138 PolarHBondContact O-N 3.44Å; Q135-K138 VanDerWaalsContact O-N 3.12Å; Q135-A139 PolarHBondContact O-N 2.98Å; Q135-A139 VanDerWaalsContact O-N 3.14Å |
| 136 | S | 98.1 | Very high | 98 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | M132 L133 K138 A139 L140 | M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 3.4Å; L133-S136 PolarHBondContact O-N 2.91Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.14Å; S136-A139 PolarHBondContact O-N 3.32Å; S136-A139 VanDerWaalsContact O-N 3.11Å; S136-L140 PolarHBondContact O-N 3.12Å |
| 137 | W | 98.4 | Very high | 98.1 | Very high | 47 Ų | 47 | 71 Ų | 71 | 18% | 0.178 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.4 | 178.2 | -102.7 | 0 | 0 | 0 | 112.8 | A105 F106 W109 L133 Q135 A139 L140 K145 F148 | A105-W137 HydrophobicContact CB-CH2 3.88Å; A105-W137 HydrophobicContact CB-CZ2 3.98Å; F106-W137 HydrophobicContact CB-CD2 4.41Å; F106-W137 HydrophobicContact CD2-CB 3.7Å; F106-W137 AromaticContact CD2-CD1 3.84Å; F106-W137 AromaticContact CD2-CD2 3.97Å; F106-W137 HydrophobicContact CD2-CD2 3.97Å; F106-W137 AromaticContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CE2-CB 3.87Å; F106-W137 HydrophobicContact CE2-CG 4.22Å; W109-W137 HydrophobicContact CB-CE3 3.97Å; W109-W137 HydrophobicContact CB-CZ3 3.61Å; W109-W137 AromaticContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CZ3 4.12Å; W109-W137 HydrophobicContact CE3-CB 4.08Å; W109-W137 HydrophobicContact CE3-CD2 4.29Å; W109-W137 AromaticContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CZ3 4.46Å; W109-W137 AromaticContact CG-CE3 3.72Å; W109-W137 HydrophobicContact CG-CE3 3.72Å; W109-W137 AromaticContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CH2-CB 4.14Å; W109-W137 HydrophobicContact CZ3-CB 3.71Å; W109-W137 HydrophobicContact CZ3-CE3 4.41Å; L133-W137 WeakPolarHBondContact O-CB 3.16Å; L133-W137 PolarHBondContact O-N 3.04Å; Q135-W137 PolarHBondContact O-N 3.09Å; W137-A139 VanDerWaalsContact C-N 3.34Å; W137-L140 HydrophobicContact CE3-CD1 3.86Å; W137-L140 HydrophobicContact CZ3-CD1 4.3Å; W137-K145 HydrophobicContact CE3-CG 4.42Å; W137-K145 HydrophobicContact CH2-CB 3.99Å; W137-K145 HydrophobicContact CH2-CG 3.76Å; W137-K145 HydrophobicContact CZ2-CB 4.32Å; W137-K145 HydrophobicContact CZ2-CD 4.4Å; W137-K145 HydrophobicContact CZ2-CG 3.89Å; W137-K145 HydrophobicContact CZ3-CG 4.03Å; W137-K145 WeakPolarHBondContact O-CE 3.49Å; W137-K145 PolarHBondContact O-NZ 3.23Å; W137-K145 VanDerWaalsContact O-NZ 3.14Å; W137-F148 HydrophobicContact CH2-CB 4.13Å; W137-F148 HydrophobicContact CZ3-CB 4.28Å; W137-F148 HydrophobicContact CZ3-CD2 4.2Å; W137-F148 HydrophobicContact CZ3-CG 4.45Å |
| 138 | K | 98.3 | Very high | 98.2 | Very high | 171 Ų | 171 | 71 Ų | 71 | 74% | 0.743 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 175.1 | -77.6 | 179.7 | 174.6 | -167.7 | 0 | 110.8 | G134 Q135 S136 K145 | G134-K138 WeakPolarHBondContact O-CG 3.14Å; Q135-K138 WeakPolarHBondContact O-CB 3.4Å; Q135-K138 PolarHBondContact O-N 3.44Å; Q135-K138 VanDerWaalsContact O-N 3.12Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.14Å; K138-K145 PolarHBondContact O-NZ 2.9Å |
| 139 | A | 98.3 | Very high | 98.2 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.4 | -22.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q135 S136 W137 | Q135-A139 PolarHBondContact O-N 2.98Å; Q135-A139 VanDerWaalsContact O-N 3.14Å; S136-A139 PolarHBondContact O-N 3.32Å; S136-A139 VanDerWaalsContact O-N 3.11Å; W137-A139 VanDerWaalsContact C-N 3.34Å |
| 140 | L | 97.9 | Very high | 98.3 | Very high | 48 Ų | 48 | 76.2 Ų | 76.2 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -59.1 | 146.9 | 174.7 | -73.2 | 174.9 | 0 | 0 | 0 | 112.1 | W109 S136 W137 D144 K145 | W109-L140 HydrophobicContact CD2-CD1 4.42Å; W109-L140 HydrophobicContact CZ2-CD1 4.12Å; S136-L140 PolarHBondContact O-N 3.12Å; W137-L140 HydrophobicContact CE3-CD1 3.86Å; W137-L140 HydrophobicContact CZ3-CD1 4.3Å; L140-D144 HydrophobicContact CB-CB 4.2Å; L140-D144 HydrophobicContact CD2-CB 4.03Å; L140-K145 HydrophobicContact CB-CG 4.13Å; L140-K145 WeakPolarHBondContact O-CE 3.24Å; L140-K145 PolarHBondContact O-NZ 2.94Å |
| 141 | S | 98.5 | Very high | 98.3 | Very high | 45 Ų | 45 | 77 Ų | 77 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | | | trans | -70.9 | 165 | 175.2 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | T143 D144 K145 | S141-T143 PolarHBondContact O-N 3.34Å; S141-T143 PolarHBondContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-OG1 2.99Å; S141-D144 VanDerWaalsContact CB-OD2 3.26Å; S141-D144 WeakPolarHBondContact CB-OD2 3.23Å; S141-D144 PolarHBondContact N-OD2 3.26Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 PolarHBondContact OG-N 2.95Å; S141-D144 VanDerWaalsContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD1 3.01Å; S141-D144 PolarHBondContact OG-OD2 2.94Å; S141-K145 WeakPolarHBondContact O-CD 3.29Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.2Å; S141-K145 PolarHBondContact O-N 3.43Å |
| 142 | A | 97.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 69% | 0.686 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60 | -36.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K145 R146 | A142-K145 PolarHBondContact O-N 3.46Å; A142-R146 PolarHBondContact O-N 3.13Å |
| 143 | T | 98.3 | Very high | 98.3 | Very high | 99 Ų | 99 | 71 Ų | 71 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | 175.4 | 29.8 | 0 | 0 | 0 | 0 | 113.2 | S141 P147 | S141-T143 PolarHBondContact O-N 3.34Å; S141-T143 PolarHBondContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-OG1 2.99Å; T143-P147 WeakPolarHBondContact O-CD 3.25Å |
| 144 | D | 98.1 | Very high | 98.4 | Very high | 77 Ų | 77 | 76.5 Ų | 76.5 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.6 | -32.9 | 175.9 | -49.4 | -44 | 0 | 0 | 0 | 111.8 | L140 S141 P147 F148 | L140-D144 HydrophobicContact CB-CB 4.2Å; L140-D144 HydrophobicContact CD2-CB 4.03Å; S141-D144 VanDerWaalsContact CB-OD2 3.26Å; S141-D144 WeakPolarHBondContact CB-OD2 3.23Å; S141-D144 PolarHBondContact N-OD2 3.26Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 PolarHBondContact OG-N 2.95Å; S141-D144 VanDerWaalsContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD1 3.01Å; S141-D144 PolarHBondContact OG-OD2 2.94Å; D144-P147 WeakPolarHBondContact O-CD 3.42Å; D144-F148 VanDerWaalsContact O-CD2 3.25Å; D144-F148 WeakPolarHBondContact O-CD2 3.27Å; D144-F148 VanDerWaalsContact O-CE2 3.28Å; D144-F148 WeakPolarHBondContact O-CE2 3.41Å |
| 145 | K | 98.4 | Very high | 98.4 | Very high | 48 Ų | 48 | 77 Ų | 77 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -70.1 | -35.2 | 176.7 | -73.2 | 163.1 | 172.5 | 146.5 | 0 | 112.1 | W137 K138 L140 S141 A142 F148 V149 | W137-K145 HydrophobicContact CE3-CG 4.42Å; W137-K145 HydrophobicContact CH2-CB 3.99Å; W137-K145 HydrophobicContact CH2-CG 3.76Å; W137-K145 HydrophobicContact CZ2-CB 4.32Å; W137-K145 HydrophobicContact CZ2-CD 4.4Å; W137-K145 HydrophobicContact CZ2-CG 3.89Å; W137-K145 HydrophobicContact CZ3-CG 4.03Å; W137-K145 WeakPolarHBondContact O-CE 3.49Å; W137-K145 PolarHBondContact O-NZ 3.23Å; W137-K145 VanDerWaalsContact O-NZ 3.14Å; K138-K145 PolarHBondContact O-NZ 2.9Å; L140-K145 HydrophobicContact CB-CG 4.13Å; L140-K145 WeakPolarHBondContact O-CE 3.24Å; L140-K145 PolarHBondContact O-NZ 2.94Å; S141-K145 WeakPolarHBondContact O-CD 3.29Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.2Å; S141-K145 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 3.46Å; K145-F148 PolarHBondContact O-N 2.81Å; K145-V149 PolarHBondContact O-N 2.84Å; K145-V149 VanDerWaalsContact O-N 3.13Å |
| 146 | R | 98.3 | Very high | 98.4 | Very high | 124 Ų | 124 | 77.7 Ų | 77.7 | 47% | 0.468 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -45.6 | -55.7 | -173.5 | -172.6 | -179.1 | 67.8 | 177.6 | -0.8 | 115 | A142 F148 V149 E150 | A142-R146 PolarHBondContact O-N 3.13Å; R146-F148 PolarHBondContact O-N 2.91Å; R146-F148 VanDerWaalsContact O-N 3.15Å; R146-V149 WeakPolarHBondContact O-CA 3.46Å; R146-V149 WeakPolarHBondContact O-CB 3.3Å; R146-V149 PolarHBondContact O-N 3.35Å; R146-E150 VanDerWaalsContact CD-OE1 3.26Å; R146-E150 WeakPolarHBondContact CD-OE1 3.37Å; R146-E150 HydrophobicContact CG-CG 4.24Å; R146-E150 WeakPolarHBondContact CG-OE1 3.28Å; R146-E150 IonicContact NE-OE1 3.72Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.04Å |
| 147 | P | 98.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 78.6 Ų | 78.6 | 40% | 0.396 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -28.8 | -178.3 | 23.6 | -35.2 | 0 | 0 | 0 | 113.5 | T143 D144 E151 | T143-P147 WeakPolarHBondContact O-CD 3.25Å; D144-P147 WeakPolarHBondContact O-CD 3.42Å; P147-E151 WeakPolarHBondContact O-CB 3.35Å; P147-E151 PolarHBondContact O-N 3.44Å |
| 148 | F | 98.5 | Very high | 98.4 | Very high | 65 Ų | 65 | 80.1 Ų | 80.1 | 29% | 0.285 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -80.1 | -24.3 | 176.1 | -52.3 | -73 | 0 | 0 | 0 | 112.7 | A105 V108 W109 W137 D144 K145 R146 A152 | A105-F148 VanDerWaalsContact CA-O 3.27Å; A105-F148 WeakPolarHBondContact CA-O 3.46Å; A105-F148 HydrophobicContact CB-CB 4.37Å; A105-F148 WeakPolarHBondContact CB-O 3.32Å; V108-F148 HydrophobicContact CG1-CD1 4.14Å; W109-F148 HydrophobicContact CB-CB 4.22Å; W109-F148 HydrophobicContact CB-CD1 3.76Å; W109-F148 HydrophobicContact CB-CD2 4.13Å; W109-F148 HydrophobicContact CB-CE1 4.15Å; W109-F148 HydrophobicContact CB-CE2 4.49Å; W109-F148 HydrophobicContact CB-CG 3.75Å; W109-F148 AromaticContact CD1-CE2 3.65Å; W109-F148 AromaticContact CD1-CZ 3.68Å; W109-F148 HydrophobicContact CG-CD2 4.4Å; W109-F148 HydrophobicContact CG-CE2 4.42Å; W109-F148 HydrophobicContact CG-CG 4.47Å; W137-F148 HydrophobicContact CH2-CB 4.13Å; W137-F148 HydrophobicContact CZ3-CB 4.28Å; W137-F148 HydrophobicContact CZ3-CD2 4.2Å; W137-F148 HydrophobicContact CZ3-CG 4.45Å; D144-F148 VanDerWaalsContact O-CD2 3.25Å; D144-F148 WeakPolarHBondContact O-CD2 3.27Å; D144-F148 VanDerWaalsContact O-CE2 3.28Å; D144-F148 WeakPolarHBondContact O-CE2 3.41Å; K145-F148 PolarHBondContact O-N 2.81Å; R146-F148 PolarHBondContact O-N 2.91Å; R146-F148 VanDerWaalsContact O-N 3.15Å; F148-A152 WeakPolarHBondContact O-CB 3.26Å; F148-A152 PolarHBondContact O-N 3.39Å; F148-A152 VanDerWaalsContact O-N 3.14Å |
| 149 | V | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 73.2 Ų | 73.2 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.4 | -47 | 169.6 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | A105 K145 R146 E151 A152 E153 | A105-V149 HydrophobicContact CB-CB 4.41Å; A105-V149 HydrophobicContact CB-CG2 3.79Å; K145-V149 PolarHBondContact O-N 2.84Å; K145-V149 VanDerWaalsContact O-N 3.13Å; R146-V149 WeakPolarHBondContact O-CA 3.46Å; R146-V149 WeakPolarHBondContact O-CB 3.3Å; R146-V149 PolarHBondContact O-N 3.35Å; V149-E151 PolarHBondContact O-N 2.58Å; V149-A152 PolarHBondContact O-N 3.08Å; V149-A152 VanDerWaalsContact O-N 3.15Å; V149-E153 PolarHBondContact O-N 3.45Å |
| 150 | E | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 74 Ų | 74 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.4 | -48 | 175.7 | -69.5 | 166.9 | 175.8 | 0 | 0 | 111.5 | R146 A152 E153 R154 | R146-E150 VanDerWaalsContact CD-OE1 3.26Å; R146-E150 WeakPolarHBondContact CD-OE1 3.37Å; R146-E150 HydrophobicContact CG-CG 4.24Å; R146-E150 WeakPolarHBondContact CG-OE1 3.28Å; R146-E150 IonicContact NE-OE1 3.72Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.04Å; E150-A152 PolarHBondContact O-N 3.28Å; E150-E153 PolarHBondContact O-N 2.97Å; E150-R154 WeakPolarHBondContact O-CB 3.39Å; E150-R154 PolarHBondContact O-N 3.09Å |
| 151 | E | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 78.6 Ų | 78.6 | 30% | 0.304 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.4 | -33.7 | 175.5 | 175.2 | 57.6 | -165.1 | 0 | 0 | 112.8 | V108 P147 V149 R154 L155 | V108-E151 HydrophobicContact CG1-CB 4.38Å; V108-E151 HydrophobicContact CG1-CG 3.8Å; V108-E151 HydrophobicContact CG2-CG 4.46Å; P147-E151 WeakPolarHBondContact O-CB 3.35Å; P147-E151 PolarHBondContact O-N 3.44Å; V149-E151 PolarHBondContact O-N 2.58Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-R154 IonicContact OE1-CZ 2.74Å; E151-R154 IonicContact OE1-NE 3.61Å; E151-R154 IonicContact OE1-NH2 4Å; E151-R154 PolarHBondContact OE1-NH2 3.48Å; E151-R154 IonicContact OE2-CZ 3.42Å; E151-R154 IonicContact OE2-NE 2.73Å; E151-R154 PolarHBondContact OE2-NE 3.12Å; E151-R154 IonicContact OE2-NH2 3.02Å; E151-R154 PolarHBondContact OE2-NH2 3.2Å; E151-L155 HydrophobicContact CG-CD1 4.14Å; E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 VanDerWaalsContact O-CG 3.25Å; E151-L155 WeakPolarHBondContact O-CG 3.26Å; E151-L155 PolarHBondContact O-N 3.14Å; E151-L155 WeakPolarHBondContact OE1-CG 3.47Å |
| 152 | A | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 81 Ų | 81 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A105 V108 F148 V149 E150 L155 R156 | A105-A152 HydrophobicContact CB-CB 4.14Å; A105-A152 VanDerWaalsContact N-CB 3.29Å; V108-A152 HydrophobicContact CG2-CB 4.28Å; F148-A152 WeakPolarHBondContact O-CB 3.26Å; F148-A152 PolarHBondContact O-N 3.39Å; F148-A152 VanDerWaalsContact O-N 3.14Å; V149-A152 PolarHBondContact O-N 3.08Å; V149-A152 VanDerWaalsContact O-N 3.15Å; E150-A152 PolarHBondContact O-N 3.28Å; A152-L155 PolarHBondContact O-N 3.04Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.49Å |
| 153 | E | 98.8 | Very high | 98.3 | Very high | 85 Ų | 85 | 80.2 Ų | 80.2 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 172.3 | -77.6 | -54.1 | 111.5 | 0 | 0 | 111.8 | V149 E150 L155 R156 V157 | V149-E153 PolarHBondContact O-N 3.45Å; E150-E153 PolarHBondContact O-N 2.97Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.44Å; E153-R156 VanDerWaalsContact CD-NE 3.35Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 VanDerWaalsContact OE1-CD 3.29Å; E153-R156 WeakPolarHBondContact OE1-CD 3Å; E153-R156 IonicContact OE1-NE 3.14Å; E153-R156 PolarHBondContact OE1-NE 3.39Å; E153-R156 VanDerWaalsContact OE1-NE 3.14Å; E153-R156 IonicContact OE2-CZ 2.75Å; E153-R156 IonicContact OE2-NE 2.69Å; E153-R156 PolarHBondContact OE2-NE 3.02Å; E153-R156 IonicContact OE2-NH2 3.33Å; E153-R156 PolarHBondContact OE2-NH2 2.96Å; E153-V157 WeakPolarHBondContact O-CB 3.17Å; E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.4Å |
| 154 | R | 98.8 | Very high | 98.2 | Very high | 115 Ų | 115 | 79.8 Ų | 79.8 | 43% | 0.434 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 170.8 | -163.7 | -159.2 | 64.2 | 67.3 | 5.1 | 111.4 | E150 E151 Q158 | E150-R154 WeakPolarHBondContact O-CB 3.39Å; E150-R154 PolarHBondContact O-N 3.09Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-R154 IonicContact OE1-CZ 2.74Å; E151-R154 IonicContact OE1-NE 3.61Å; E151-R154 IonicContact OE1-NH2 4Å; E151-R154 PolarHBondContact OE1-NH2 3.48Å; E151-R154 IonicContact OE2-CZ 3.42Å; E151-R154 IonicContact OE2-NE 2.73Å; E151-R154 PolarHBondContact OE2-NE 3.12Å; E151-R154 IonicContact OE2-NH2 3.02Å; E151-R154 PolarHBondContact OE2-NH2 3.2Å; R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.43Å; R154-Q158 PolarHBondContact O-N 3.16Å |
| 155 | L | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 83.8 Ų | 83.8 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.7 | -34 | 174.4 | -73.4 | 168.6 | 0 | 0 | 0 | 112.7 | M103 V108 E151 A152 E153 H159 | M103-L155 HydrophobicContact CB-CD1 4.34Å; M103-L155 HydrophobicContact CE-CD1 3.9Å; V108-L155 HydrophobicContact CG2-CD1 3.83Å; E151-L155 HydrophobicContact CG-CD1 4.14Å; E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 VanDerWaalsContact O-CG 3.25Å; E151-L155 WeakPolarHBondContact O-CG 3.26Å; E151-L155 PolarHBondContact O-N 3.14Å; E151-L155 WeakPolarHBondContact OE1-CG 3.47Å; A152-L155 PolarHBondContact O-N 3.04Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.44Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 3.47Å |
| 156 | R | 98.4 | Very high | 98 | Very high | 136 Ų | 136 | 84.5 Ų | 84.5 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 176.5 | -172.2 | 173.5 | 94.3 | 102.9 | -9.2 | 112 | A152 E153 H159 L160 | A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.49Å; E153-R156 VanDerWaalsContact CD-NE 3.35Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 VanDerWaalsContact OE1-CD 3.29Å; E153-R156 WeakPolarHBondContact OE1-CD 3Å; E153-R156 IonicContact OE1-NE 3.14Å; E153-R156 PolarHBondContact OE1-NE 3.39Å; E153-R156 VanDerWaalsContact OE1-NE 3.14Å; E153-R156 IonicContact OE2-CZ 2.75Å; E153-R156 IonicContact OE2-NE 2.69Å; E153-R156 PolarHBondContact OE2-NE 3.02Å; E153-R156 IonicContact OE2-NH2 3.33Å; E153-R156 PolarHBondContact OE2-NH2 2.96Å; R156-H159 PolarHBondContact O-N 3.15Å; R156-L160 PolarHBondContact O-N 3.32Å |
| 157 | V | 98.4 | Very high | 97.9 | Very high | 74 Ų | 74 | 86.1 Ų | 86.1 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 176.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | E153 H159 L160 Q161 | E153-V157 WeakPolarHBondContact O-CB 3.17Å; E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.4Å; V157-H159 VanDerWaalsContact C-N 3.34Å; V157-H159 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.93Å; V157-Q161 WeakPolarHBondContact O-CG 3.47Å; V157-Q161 PolarHBondContact O-N 3.08Å |
| 158 | Q | 98.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.8 | -48 | 174.2 | 178.8 | 178.3 | -8.8 | 0 | 0 | 111.1 | R154 L160 Q161 D162 | R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.43Å; R154-Q158 PolarHBondContact O-N 3.16Å; Q158-L160 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 2.84Å; Q158-D162 WeakPolarHBondContact CG-OD2 3Å; Q158-D162 PolarHBondContact NE2-OD2 2.77Å; Q158-D162 WeakPolarHBondContact O-CB 3.42Å; Q158-D162 PolarHBondContact O-N 3.17Å |
| 159 | H | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 94.3 Ų | 94.3 | 13% | 0.125 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.5 | -31.2 | 179.4 | -171.4 | 86.6 | 0 | 0 | 0 | 113.6 | I99 R100 P102 L155 R156 V157 H163 Y166 | I99-H159 VanDerWaalsContact CG2-CE1 3.44Å; I99-H159 WeakPolarHBondContact CG2-CE1 3.42Å; R100-H159 PolarHBondContact O-CE1 2.83Å; R100-H159 PolarHBondContact O-NE2 3.15Å; P102-H159 HydrophobicContact CB-CB 4.04Å; P102-H159 HydrophobicContact CG-CB 4.23Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 3.47Å; R156-H159 PolarHBondContact O-N 3.15Å; V157-H159 VanDerWaalsContact C-N 3.34Å; V157-H159 PolarHBondContact O-N 3.28Å; H159-H163 AromaticContact CE1-CD2 3.55Å; H159-H163 AromaticContact ND1-CD2 3.76Å; H159-H163 WeakPolarHBondContact O-CB 3.48Å; H159-H163 PolarHBondContact O-N 3.33Å; H159-Y166 AromaticContact NE2-CD1 3.75Å; H159-Y166 AromaticContact NE2-CD2 3.73Å; H159-Y166 AromaticContact NE2-CE1 3.91Å; H159-Y166 AromaticContact NE2-CE2 3.87Å; H159-Y166 AromaticContact NE2-CG 3.64Å; H159-Y166 AromaticContact NE2-CZ 3.93Å |
| 160 | L | 97.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.6 | -33.4 | 174.8 | -174.9 | 61.8 | 0 | 0 | 0 | 112.2 | R156 V157 Q158 H163 P164 | R156-L160 PolarHBondContact O-N 3.32Å; V157-L160 PolarHBondContact O-N 2.93Å; Q158-L160 PolarHBondContact O-N 3.45Å; L160-H163 CarbonylContact O-C 3.6Å; L160-P164 WeakPolarHBondContact O-CA 3.38Å; L160-P164 VanDerWaalsContact O-N 3.13Å |
| 161 | Q | 98.1 | Very high | 96.9 | Very high | 145 Ų | 145 | 99.4 Ų | 99.4 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -71.8 | -45.3 | 173.6 | -67.2 | 176.9 | 18.7 | 0 | 0 | 111.9 | V157 Q158 H163 | V157-Q161 WeakPolarHBondContact O-CG 3.47Å; V157-Q161 PolarHBondContact O-N 3.08Å; Q158-Q161 PolarHBondContact O-N 2.84Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.31Å |
| 162 | D | 97.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 107.5 Ų | 107.5 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -31.6 | 177.7 | -67.8 | -21 | 0 | 0 | 0 | 111.5 | Q158 | Q158-D162 WeakPolarHBondContact CG-OD2 3Å; Q158-D162 PolarHBondContact NE2-OD2 2.77Å; Q158-D162 WeakPolarHBondContact O-CB 3.42Å; Q158-D162 PolarHBondContact O-N 3.17Å |
| 163 | H | 97.1 | Very high | 96 | Very high | 66 Ų | 66 | 115.7 Ų | 115.7 | 31% | 0.306 | 52% | 0.524 | S | S | . | . | | | trans | -139.2 | 67.9 | -174.4 | -51.7 | -38.3 | 0 | 0 | 0 | 113 | I99 H159 L160 Q161 N165 Y166 | I99-H163 HydrophobicContact CD1-CB 4.21Å; I99-H163 WeakPolarHBondContact CG2-CD2 3.32Å; H159-H163 AromaticContact CE1-CD2 3.55Å; H159-H163 AromaticContact ND1-CD2 3.76Å; H159-H163 WeakPolarHBondContact O-CB 3.48Å; H159-H163 PolarHBondContact O-N 3.33Å; L160-H163 CarbonylContact O-C 3.6Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.31Å; H163-N165 PolarHBondContact O-N 2.86Å; H163-N165 VanDerWaalsContact O-N 3.12Å; H163-Y166 WeakPolarHBondContact O-CB 2.82Å; H163-Y166 PolarHBondContact O-N 2.75Å |
| 164 | P | 96.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 121.1 Ų | 121.1 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.1 | -175.7 | 23.7 | -34.7 | 0 | 0 | 0 | 113.6 | L160 Y166 | L160-P164 WeakPolarHBondContact O-CA 3.38Å; L160-P164 VanDerWaalsContact O-N 3.13Å; P164-Y166 VanDerWaalsContact C-N 3.3Å; P164-Y166 PolarHBondContact O-N 2.93Å |
| 165 | N | 95.4 | Very high | 94.1 | Very high | 161 Ų | 161 | 121.5 Ų | 121.5 | 86% | 0.861 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 11.5 | 176.8 | -66.3 | -19.2 | 0 | 0 | 0 | 113.4 | H163 K167 | H163-N165 PolarHBondContact O-N 2.86Å; H163-N165 VanDerWaalsContact O-N 3.12Å; N165-K167 PolarHBondContact O-N 3.46Å |
| 166 | Y | 97 | Very high | 92.7 | Very high | 63 Ų | 63 | 125.8 Ų | 125.8 | 25% | 0.247 | 59% | 0.589 | C | S | . | * | | | trans | -66.3 | 122.7 | 179.2 | 179.5 | -100.9 | 0 | 0 | 0 | 111.8 | I99 H159 H163 P164 | I99-Y166 HydrophobicContact CB-CD2 3.92Å; I99-Y166 HydrophobicContact CB-CE2 3.99Å; I99-Y166 HydrophobicContact CD1-CD2 4.41Å; I99-Y166 HydrophobicContact CG2-CD2 3.41Å; I99-Y166 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y166 HydrophobicContact CG2-CE2 3.57Å; I99-Y166 HydrophobicContact CG2-CG 4.43Å; H159-Y166 AromaticContact NE2-CD1 3.75Å; H159-Y166 AromaticContact NE2-CD2 3.73Å; H159-Y166 AromaticContact NE2-CE1 3.91Å; H159-Y166 AromaticContact NE2-CE2 3.87Å; H159-Y166 AromaticContact NE2-CG 3.64Å; H159-Y166 AromaticContact NE2-CZ 3.93Å; H163-Y166 WeakPolarHBondContact O-CB 2.82Å; H163-Y166 PolarHBondContact O-N 2.75Å; P164-Y166 VanDerWaalsContact C-N 3.3Å; P164-Y166 PolarHBondContact O-N 2.93Å |
| 167 | K | 95.3 | Very high | 91.4 | Very high | 159 Ų | 159 | 128 Ų | 128 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | | | trans | -124.2 | 119.4 | 172.5 | -169.6 | 161 | -171.8 | 162.6 | 0 | 110.7 | N165 R169 | N165-K167 PolarHBondContact O-N 3.46Å; K167-R169 PolarHBondContact O-N 3.34Å; K167-R169 VanDerWaalsContact O-N 3.14Å |
| 168 | Y | 96.1 | Very high | 89.8 | Confident | 111 Ų | 111 | 133.9 Ų | 133.9 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | | | trans | -61.3 | 117 | 174.8 | 172.4 | -133.2 | 0 | 0 | 0 | 110.6 | R101 P170 | R101-Y168 VanDerWaalsContact NH1-CZ 3.31Å; R101-Y168 PolarHBondContact NH1-OH 3.18Å; R101-Y168 VanDerWaalsContact NH2-CE2 3.27Å; R101-Y168 PolarHBondContact NH2-OH 3.37Å; Y168-P170 HydrophobicContact CD1-CG 4.39Å; Y168-P170 HydrophobicContact CE1-CG 3.75Å; Y168-P170 HydrophobicContact CE2-CG 4.24Å |
| 169 | R | 93.5 | Very high | 88.1 | Confident | 187 Ų | 187 | 137.5 Ų | 137.5 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | | | trans | -115.7 | 103.2 | 174.8 | -64.7 | -176.4 | -170.3 | -136 | 5.4 | 109.9 | R98 K167 R171 | R98-R169 PolarHBondContact NH2-O 2.81Å; K167-R169 PolarHBondContact O-N 3.34Å; K167-R169 VanDerWaalsContact O-N 3.14Å; R169-R171 PolarHBondContact O-N 2.69Å |
| 170 | P | 93 | Very high | 86 | Confident | 87 Ų | 87 | 145.4 Ų | 145.4 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | | | trans | -59.4 | 127.8 | 172 | -18.3 | 27.3 | 0 | 0 | 0 | 110.8 | Y168 R172 | Y168-P170 HydrophobicContact CD1-CG 4.39Å; Y168-P170 HydrophobicContact CE1-CG 3.75Å; Y168-P170 HydrophobicContact CE2-CG 4.24Å; P170-R172 PolarHBondContact O-N 3.14Å |
| 171 | R | 91.3 | Very high | 83.9 | Confident | 198 Ų | 198 | 149.5 Ų | 149.5 | 75% | 0.747 | 69% | 0.685 | S | S | * | * | | | trans | -84.9 | 98.4 | 175.6 | -173.2 | 178.9 | -173.4 | -96.8 | 7.9 | 109.6 | R169 K173 | R169-R171 PolarHBondContact O-N 2.69Å; R171-K173 PolarHBondContact O-N 2.68Å; R171-K173 VanDerWaalsContact O-N 3.15Å |
| 172 | R | 89.2 | Confident | 82 | Confident | 234 Ų | 234 | 148.7 Ų | 148.7 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | | | trans | -53.3 | 120.8 | 167.1 | -69.2 | 179.1 | 74 | 173.6 | 3.6 | 108.6 | P170 K174 | P170-R172 PolarHBondContact O-N 3.14Å; R172-K174 PolarHBondContact O-N 3.14Å |
| 173 | K | 88.1 | Confident | 79.7 | Confident | 180 Ų | 180 | 149.2 Ų | 149.2 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | | | trans | -67 | 124.2 | 167.2 | -66.8 | 179.7 | -179 | 177.1 | 0 | 106.6 | R171 T175 | R171-K173 PolarHBondContact O-N 2.68Å; R171-K173 VanDerWaalsContact O-N 3.15Å; K173-T175 PolarHBondContact O-N 2.83Å; K173-T175 VanDerWaalsContact O-N 3.07Å |
| 174 | K | 83.3 | Confident | 77.9 | Confident | 199 Ų | 199 | 151.2 Ų | 151.2 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | | | trans | -66.5 | 106.9 | 165.8 | -73 | -173.9 | 177.2 | -176 | 0 | 106.4 | R172 T176 | R172-K174 PolarHBondContact O-N 3.14Å; K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.03Å |
| 175 | T | 74.4 | Confident | 76.1 | Confident | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | | | trans | -69.1 | 97.4 | 169.4 | 37.7 | 0 | 0 | 0 | 0 | 107.5 | K173 K177 | K173-T175 PolarHBondContact O-N 2.83Å; K173-T175 VanDerWaalsContact O-N 3.07Å; T175-K177 PolarHBondContact O-N 3.4Å |
| 176 | T | 70.1 | Confident | 74.3 | Confident | 123 Ų | 123 | 148.6 Ų | 148.6 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | | | trans | -62.6 | 93.3 | 163.3 | 39.9 | 0 | 0 | 0 | 0 | 106.8 | K174 K178 | K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.03Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.22Å |
| 177 | K | 70.1 | Confident | 72.4 | Confident | 184 Ų | 184 | 153.1 Ų | 153.1 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | | | trans | -56.3 | 98.1 | 168.8 | -69.9 | -173.7 | 178.5 | -174.5 | 0 | 106.3 | T175 L179 | T175-K177 PolarHBondContact O-N 3.4Å; K177-L179 PolarHBondContact O-N 3Å |
| 178 | K | 65.9 | Low | 70.5 | Confident | 197 Ų | 197 | 152 Ų | 152 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -65.7 | 87.1 | 162.8 | -72.4 | -170.2 | -180 | -176.8 | 0 | 105.2 | T176 K180 | T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.22Å; K178-K180 PolarHBondContact O-N 3.49Å |
| 179 | L | 61.3 | Low | 68.3 | Low | 155 Ų | 155 | 154.7 Ų | 154.7 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | trans | -50.8 | 108.4 | 162.3 | -77 | 159.6 | 0 | 0 | 0 | 105.2 | K177 R181 | K177-L179 PolarHBondContact O-N 3Å; L179-R181 PolarHBondContact O-N 3.42Å |
| 180 | K | 55 | Low | 65.9 | Low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | -58.4 | 103.1 | 157.1 | -85.7 | -173.4 | 174.9 | -179.4 | 0 | 104 | K178 V182 | K178-K180 PolarHBondContact O-N 3.49Å; K180-V182 PolarHBondContact O-N 3.45Å |
| 181 | R | 53.1 | Low | 63.8 | Low | 192 Ų | 192 | 154.4 Ų | 154.4 | 73% | 0.725 | 76% | 0.76 | S | S | * | * | | | trans | -60.7 | 96.3 | 163.8 | 175.9 | 177 | 166.4 | 116.2 | 2.8 | 104.9 | L179 E183 | L179-R181 PolarHBondContact O-N 3.42Å; R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact NE-OE1 3.14Å; R181-E183 PolarHBondContact NE-OE1 3.44Å; R181-E183 IonicContact NH2-OE1 3.56Å; R181-E183 PolarHBondContact O-N 3.39Å; R181-E183 VanDerWaalsContact O-N 3.14Å |
| 182 | V | 58.7 | Low | 61.8 | Low | 127 Ų | 127 | 148.9 Ų | 148.9 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -67.1 | 111 | 172.7 | -172.5 | 0 | 0 | 0 | 0 | 104.6 | K180 P184 | K180-V182 PolarHBondContact O-N 3.45Å; V182-P184 WeakPolarHBondContact O-CD 3.42Å |
| 183 | E | 50.3 | Low | 59.7 | Low | 106 Ų | 106 | 147.2 Ų | 147.2 | 50% | 0.495 | 76% | 0.758 | S | S | . | * | | | trans | -64.2 | 122.1 | -178.2 | -83.5 | -58.3 | 134.1 | 0 | 0 | 109.3 | R181 G185 | R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact NE-OE1 3.14Å; R181-E183 PolarHBondContact NE-OE1 3.44Å; R181-E183 IonicContact NH2-OE1 3.56Å; R181-E183 PolarHBondContact O-N 3.39Å; R181-E183 VanDerWaalsContact O-N 3.14Å; E183-G185 PolarHBondContact O-N 2.93Å |
| 184 | P | 58.1 | Low | 57.5 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 17.8 | -174.4 | 31.9 | -36.5 | 0 | 0 | 0 | 113.4 | V182 | V182-P184 WeakPolarHBondContact O-CD 3.42Š|
| 185 | G | 58 | Low | 55.2 | Low | 45 Ų | 45 | 137 Ų | 137 | 46% | 0.464 | 76% | 0.76 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.2 | -22.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E183 L187 | E183-G185 PolarHBondContact O-N 2.93Å; G185-L187 PolarHBondContact O-N 3Å |
| 186 | L | 57.7 | Low | 53.5 | Low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -14.1 | -172.2 | -64.4 | -175.6 | 0 | 0 | 0 | 114.9 | | |
| 187 | L | 57.1 | Low | 52.4 | Low | 158 Ų | 158 | 135.7 Ų | 135.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -11 | 178.1 | -68.4 | 177.7 | 0 | 0 | 0 | 114 | G185 | G185-L187 PolarHBondContact O-N 3Š|
| 188 | L | 56.1 | Low | 50.7 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -90.8 | -22.9 | -173.9 | -159.3 | 67.5 | 0 | 0 | 0 | 113.8 | S190 | L188-S190 PolarHBondContact O-N 2.96Š|
| 189 | H | 50.1 | Low | 49.6 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -77.6 | -19.2 | -172 | -114.6 | 87.9 | 0 | 0 | 0 | 114.7 | L191 | H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.28Å |
| 190 | S | 43.4 | Very low | 48.4 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -83.2 | 2 | -178 | -57.6 | 0 | 0 | 0 | 0 | 114.9 | L188 | L188-S190 PolarHBondContact O-N 2.96Š|
| 191 | L | 48.7 | Very low | 47.6 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -114.7 | 4.3 | -177.9 | -75.6 | 166.9 | 0 | 0 | 0 | 113.9 | H189 | H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.28Å |
| 192 | A | 50 | Low | 46.7 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -123.8 | 38.4 | -166 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 193 | Q | 44.8 | Very low | 46.2 | Very low | 198 Ų | 198 | 121.4 Ų | 121.4 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | trans | -143.8 | 60.9 | 171 | -157.2 | 159.3 | 53.2 | 0 | 0 | 114.3 | | |
| 194 | G | 41.8 | Very low | 45.4 | Very low | 87 Ų | 87 | 119.7 Ų | 119.7 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | | | trans | -113.1 | 105.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | G | 33.8 | Very low | 44.5 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | 151.1 | 116.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 196 | A | 39.3 | Very low | 43.4 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -83.8 | 162.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 197 | P | 46.9 | Very low | 43 | Very low | 122 Ų | 122 | 121 Ų | 121 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | | -153.7 | 178.8 | 86.5 | 41.4 | -23.3 | 0 | 0 | 0 | 116.8 | | |
| 198 | A | 34.6 | Very low | 42 | Very low | 88 Ų | 88 | 120.9 Ų | 120.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | 67.4 | 104.5 | 146.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 199 | L | 43.3 | Very low | 41 | Very low | 183 Ų | 183 | 119.1 Ų | 119.1 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | | | | 23.3 | 121.9 | 123.7 | -53.7 | 175.9 | 0 | 0 | 0 | 119.4 | | |
| 200 | G | 35.6 | Very low | 40.3 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -154.2 | 131 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 201 | L | 38.3 | Very low | 39.9 | Very low | 182 Ų | 182 | 117.9 Ų | 117.9 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | trans | -76.3 | 157.2 | -171.8 | -66.1 | 146.9 | 0 | 0 | 0 | 113.7 | | |
| 202 | G | 33.3 | Very low | 39 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | -85 | -144.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 203 | P | 48.5 | Very low | 38.3 | Very low | 140 Ų | 140 | 117 Ų | 117 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | | | cis | -141.9 | -175.8 | 3.7 | 43.9 | -26 | 0 | 0 | 0 | 116.5 | | |
| 204 | G | 33.5 | Very low | 37.8 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | 101.6 | 148.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 205 | V | 39.8 | Very low | 37.2 | Very low | 147 Ų | 147 | 112.6 Ų | 112.6 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | cis | -147.7 | 155.8 | -6 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 206 | G | 34.1 | Very low | 37.2 | Very low | 68 Ų | 68 | 113.9 Ų | 113.9 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -103.3 | -155 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 207 | P | 50.6 | Low | 37.1 | Very low | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | cis | -123.4 | -162.7 | 2.4 | 24.7 | 2.2 | 0 | 0 | 0 | 111.5 | | |
| 208 | L | 35 | Very low | 36.7 | Very low | 156 Ų | 156 | 113 Ų | 113 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | | | cis | -161.2 | 152.5 | 37.2 | -73.9 | 159.6 | 0 | 0 | 0 | 112.8 | | |
| 209 | A | 34.7 | Very low | 36.8 | Very low | 98 Ų | 98 | 116.8 Ų | 116.8 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | | | trans | 42.7 | 150.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 210 | A | 36.1 | Very low | 36.4 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | | | cis | -169.4 | 158.7 | -19.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 211 | D | 35 | Very low | 36.8 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | 57.4 | 152.5 | 171.1 | -60.7 | -48.7 | 0 | 0 | 0 | 119.4 | | |
| 212 | G | 31 | Very low | 36.6 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | cis | 148.3 | 83.1 | -14.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 213 | V | 34.9 | Very low | 36.8 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | -180 | 155.3 | 145.1 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 214 | S | 33.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 116.4 Ų | 116.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -57 | 161.3 | 177.9 | -48.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 215 | G | 29.3 | Very low | 36.6 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | cis | 164.3 | 158 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 216 | A | 33.8 | Very low | 36.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -157.1 | 168.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 217 | A | 36.9 | Very low | 36.6 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | 66 | 105.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 218 | A | 37.8 | Very low | 35.7 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | | | trans | -88.8 | 134.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 219 | L | 37.2 | Very low | 35.8 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | | | trans | -139.3 | 137.3 | 169.8 | -73.2 | 176.9 | 0 | 0 | 0 | 110.5 | | |
| 220 | L | 35.4 | Very low | 36.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | | | trans | -148.7 | 161.3 | 173.6 | -79 | 177.5 | 0 | 0 | 0 | 108.3 | | |
| 221 | P | 44.3 | Very low | 36.2 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | | | cis | -121 | 177.8 | -19.6 | 37.9 | -24.4 | 0 | 0 | 0 | 111.8 | | |
| 222 | S | 34.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -122.8 | 117.7 | 156.9 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 223 | L | 37.5 | Very low | 36.2 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | | | trans | -114.7 | 113.9 | -175.6 | -177.6 | 68.3 | 0 | 0 | 0 | 109.5 | | |
| 224 | G | 37.7 | Very low | 36.3 | Very low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 83% | 0.829 | S | S | * | * | | | trans | -179.8 | 75.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 225 | H | 40 | Very low | 36.5 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | | | trans | -138.6 | 98.2 | 163.1 | -93.2 | 58.2 | 0 | 0 | 0 | 108 | | |
| 226 | F | 31.7 | Very low | 37.1 | Very low | 194 Ų | 194 | 145 Ų | 145 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | | | trans | -74.4 | 142.8 | 165.6 | -171.3 | -93.1 | 0 | 0 | 0 | 108 | | |
| 227 | R | 40.9 | Very low | 37.1 | Very low | 231 Ų | 231 | 144.3 Ų | 144.3 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | | | trans | -142.3 | 146.2 | 176.8 | -157.6 | 177.8 | -175.3 | -145.3 | -3.4 | 111.4 | | |
| 228 | D | 32.4 | Very low | 37.2 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 161.6 | -158.8 | -48 | -90.9 | 0 | 0 | 0 | 115.8 | | |
| 229 | L | 37.5 | Very low | 37.1 | Very low | 170 Ų | 170 | 149 Ų | 149 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72 | 147.7 | 171.8 | -68.6 | 161.5 | 0 | 0 | 0 | 112.2 | | |
| 230 | P | 41.4 | Very low | 37.2 | Very low | 122 Ų | 122 | 148.9 Ų | 148.9 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 150.3 | 141.8 | 35.4 | -28.2 | 0 | 0 | 0 | 110.6 | | |
| 231 | A | 37.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -123.9 | 127.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 232 | H | 33.1 | Very low | 37.5 | Very low | 203 Ų | 203 | 146.6 Ų | 146.6 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | | | trans | -175.3 | 152.6 | 159.9 | -122.1 | -83.9 | 0 | 0 | 0 | 110.6 | | |
| 233 | G | 32.9 | Very low | 38.4 | Very low | 68 Ų | 68 | 146.9 Ų | 146.9 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | 109 | 110.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 234 | D | 36.7 | Very low | 38.6 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -59.7 | 143.4 | 177.1 | -42.6 | -86.6 | 0 | 0 | 0 | 115.1 | | |
| 235 | L | 38.9 | Very low | 38.8 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | | -164.7 | 156.8 | 128.3 | -161.7 | 52 | 0 | 0 | 0 | 111.2 | | |
| 236 | E | 41.3 | Very low | 39.2 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -88.5 | 162.8 | -172 | -62.2 | 178.8 | 97.1 | 0 | 0 | 115.8 | | |
| 237 | S | 33.4 | Very low | 40 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | 72.8 | 138.9 | 157.5 | -132.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 238 | Y | 39.9 | Very low | 40.3 | Very low | 222 Ų | 222 | 138.9 Ų | 138.9 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | | | cis | -133.4 | 157.2 | 20.1 | -81.7 | -95 | 0 | 0 | 0 | 112.9 | | |
| 239 | G | 35.5 | Very low | 40.8 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -80.3 | 150 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 240 | L | 38.7 | Very low | 41 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -85.3 | 131.7 | 169.3 | -66.3 | 171.8 | 0 | 0 | 0 | 110.1 | T242 | L240-T242 PolarHBondContact O-N 2.88Š|
| 241 | P | 44.3 | Very low | 41.4 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -77.7 | 108.4 | 178 | 30 | -33.1 | 0 | 0 | 0 | 111.4 | P243 | P241-P243 WeakPolarHBondContact O-CD 3.28Š|
| 242 | T | 42 | Very low | 41.6 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -75.8 | 123.5 | 161.4 | 43.5 | 0 | 0 | 0 | 0 | 109.9 | L240 E244 | L240-T242 PolarHBondContact O-N 2.88Å; T242-E244 PolarHBondContact O-N 3.1Å |
| 243 | P | 53.4 | Low | 42 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -71.4 | 91.5 | 170 | -16.1 | 32 | 0 | 0 | 0 | 110 | P241 | P241-P243 WeakPolarHBondContact O-CD 3.28Š|
| 244 | E | 40.8 | Very low | 42 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | trans | -84.3 | 141.7 | 176.6 | -94 | -74.7 | 95.3 | 0 | 0 | 112.1 | T242 | T242-E244 PolarHBondContact O-N 3.1Š|
| 245 | M | 43.6 | Very low | 42 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | | | trans | 66.6 | 147.5 | 162.2 | -62.5 | -63.1 | 162.9 | 0 | 0 | 120 | | |
| 246 | S | 48.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -94.6 | 127.3 | -177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | L248 | S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.3Å |
| 247 | P | 47.9 | Very low | 41.6 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -83 | 71 | -174.1 | 34.2 | -36.6 | 0 | 0 | 0 | 112.6 | | |
| 248 | L | 46.4 | Very low | 42 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -148.2 | 58 | 169 | -97.8 | -176.6 | 0 | 0 | 0 | 112 | S246 | S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.3Å |
| 249 | D | 44.3 | Very low | 41.9 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -161.8 | 104.6 | 158.4 | -117.2 | -23.1 | 0 | 0 | 0 | 110.7 | | |
| 250 | L | 41.7 | Very low | 41.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -179.4 | 134.4 | 151.5 | -104.3 | 162.4 | 0 | 0 | 0 | 110.2 | | |
| 251 | L | 49.5 | Very low | 42 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -106.6 | 164.7 | 170.9 | -99.9 | 68.3 | 0 | 0 | 0 | 109.7 | | |
| 252 | E | 40.4 | Very low | 41.9 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | 66.3 | 145.4 | 168.5 | -83.1 | 157.5 | 85.1 | 0 | 0 | 115.7 | | |
| 253 | D | 41 | Very low | 41.7 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | cis | -152.8 | 169.1 | -2.8 | -177.5 | 29.3 | 0 | 0 | 0 | 109.7 | | |
| 254 | G | 33.8 | Very low | 40.8 | Very low | 58 Ų | 58 | 142.2 Ų | 142.2 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | | | trans | 83.4 | 93.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 255 | A | 36.6 | Very low | 40.6 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | | | trans | 49.8 | 118.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 256 | G | 36.5 | Very low | 40 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -175.8 | 119.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 257 | E | 36.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -73.1 | 149 | -168.8 | -61.1 | -177.4 | 128.5 | 0 | 0 | 114.6 | | |
| 258 | S | 40.8 | Very low | 38.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 19 | 135.3 | 139.7 | -51.5 | 0 | 0 | 0 | 0 | 118.7 | | |
| 259 | V | 38.7 | Very low | 38.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | | -167.4 | 138.8 | 67.9 | 156.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 260 | F | 35.5 | Very low | 37.5 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | S | Bend | | 169.1 | 83.1 | 124.2 | -163.3 | -93.8 | 0 | 0 | 0 | 112.8 | | |
| 261 | F | 40.2 | Very low | 37.2 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | | | trans | -179.7 | 140.1 | 135.4 | -100.5 | -66.4 | 0 | 0 | 0 | 109.3 | | |
| 262 | P | 41.5 | Very low | 36.3 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -77.6 | 152.6 | -172.5 | -18.1 | 33.8 | 0 | 0 | 0 | 115.6 | | |
| 263 | Q | 37.4 | Very low | 36.1 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -135.4 | 131.8 | -178.8 | 174.5 | -174.2 | -10.4 | 0 | 0 | 110.8 | | |
| 264 | H | 36.2 | Very low | 35.5 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | -176.1 | 122.4 | 172.5 | 170.9 | -69.6 | 0 | 0 | 0 | 109.4 | | |
| 265 | M | 35.8 | Very low | 35.5 | Very low | 117 Ų | 117 | 133 Ų | 133 | 58% | 0.576 | 77% | 0.765 | S | S | * | * | | | cis | -136.6 | 159.9 | -12.5 | -67.9 | -105 | 76.1 | 0 | 0 | 105.2 | | |
| 266 | Q | 31.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 55% | 0.551 | 75% | 0.752 | S | S | * | * | | | | 56.2 | 138.8 | 55.5 | -79.8 | -171.6 | -94.4 | 0 | 0 | 112.3 | | |
| 267 | D | 34.4 | Very low | 35 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | cis | -152.9 | 174.5 | 17.4 | -105.4 | -25.9 | 0 | 0 | 0 | 109.6 | | |
| 268 | E | 33.1 | Very low | 34.9 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | | | cis | -156.6 | 168 | 19.2 | -128.9 | -77.2 | 77.4 | 0 | 0 | 111.5 | | |
| 269 | A | 36.1 | Very low | 34.6 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 63% | 0.628 | 73% | 0.733 | S | S | * | * | | | trans | 4.8 | 126.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 270 | G | 30.5 | Very low | 34.2 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | | | | 107.6 | 114.7 | 80.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 271 | M | 35.2 | Very low | 34.3 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 99% | 0.985 | 73% | 0.729 | S | S | * | * | | | trans | 65.5 | 146.5 | 143.6 | -65.9 | 165.9 | 59.4 | 0 | 0 | 121.2 | | |
| 272 | G | 30.7 | Very low | 34.2 | Very low | 81 Ų | 81 | 134.4 Ų | 134.4 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | | | trans | 125.4 | 112.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 273 | G | 36.8 | Very low | 33.7 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 68% | 0.68 | 72% | 0.72 | S | S | * | * | | | trans | -94.8 | -153.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 274 | W | 28.5 | Very low | 33.5 | Very low | 238 Ų | 238 | 130.5 Ų | 130.5 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | | | trans | 85 | 93.7 | 170.1 | -57.8 | 88.8 | 0 | 0 | 0 | 118.9 | | |
| 275 | T | 32.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 73% | 0.725 | S | S | * | * | | | | 52.1 | 121.4 | 125.4 | 60.9 | 0 | 0 | 0 | 0 | 123 | | |
| 276 | S | 29.4 | Very low | 33.2 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | | 74.7 | 120 | 126.4 | -77.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 277 | R | 32.4 | Very low | 33.4 | Very low | 216 Ų | 216 | 131.1 Ų | 131.1 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | | | | 87.2 | 120.9 | 128.7 | -66.2 | 166 | -167.5 | -103.8 | 2.3 | 122.4 | | |
| 278 | L | 35.9 | Very low | 33.4 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | trans | 65 | 157.3 | 141.1 | -86.7 | 71.9 | 0 | 0 | 0 | 118.1 | | |
| 279 | D | 33.1 | Very low | 33.4 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 46% | 0.46 | 75% | 0.753 | S | S | . | * | | | cis | -149.7 | 134.1 | -2.8 | -150.6 | -46.8 | 0 | 0 | 0 | 107.6 | R281 | D279-R281 IonicContact OD1-CZ 3.34Å; D279-R281 IonicContact OD1-NE 2.83Å; D279-R281 PolarHBondContact OD1-NE 3.3Å; D279-R281 IonicContact OD1-NH2 2.7Å; D279-R281 PolarHBondContact OD1-NH2 3.39Å; D279-R281 IonicContact OD2-CZ 3.74Å; D279-R281 IonicContact OD2-NE 3.83Å; D279-R281 IonicContact OD2-NH2 3.54Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å |
| 280 | S | 30.2 | Very low | 33.3 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | | 167.5 | 132.7 | 102.9 | -69.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 281 | R | 38.3 | Very low | 33.4 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | | 62.1 | 130.2 | 70.8 | -71.4 | -173.6 | -90.3 | -170.8 | -5.5 | 112.2 | D279 | D279-R281 IonicContact OD1-CZ 3.34Å; D279-R281 IonicContact OD1-NE 2.83Å; D279-R281 PolarHBondContact OD1-NE 3.3Å; D279-R281 IonicContact OD1-NH2 2.7Å; D279-R281 PolarHBondContact OD1-NH2 3.39Å; D279-R281 IonicContact OD2-CZ 3.74Å; D279-R281 IonicContact OD2-NE 3.83Å; D279-R281 IonicContact OD2-NH2 3.54Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å |
| 282 | I | 38.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 76% | 0.757 | S | S | * | * | | | cis | -155.3 | 171.9 | 15.9 | 14.7 | 168.4 | 0 | 0 | 0 | 109.5 | | |
| 283 | S | 31.1 | Very low | 33.5 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | cis | -165.5 | 141.5 | -1.1 | 41.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 284 | S | 31.9 | Very low | 33.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | | 49 | 125.1 | 127.4 | -159.6 | 0 | 0 | 0 | 0 | 123 | | |
| 285 | V | 35.4 | Very low | 33.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | | -166.2 | 141.3 | 108.1 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 286 | E | 31.6 | Very low | 33.8 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 83% | 0.827 | 77% | 0.771 | S | S | * | * | | | trans | -100.5 | 155.7 | 173.6 | -68.5 | 174.6 | 76.7 | 0 | 0 | 112.3 | | |
| 287 | S | 36.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | | | trans | -167.1 | 115.7 | 143.3 | -87.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 288 | N | 33.3 | Very low | 34.1 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 41 | 130.8 | 134.2 | -56.5 | -46.8 | 0 | 0 | 0 | 120.8 | | |
| 289 | M | 32.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 133.2 Ų | 133.2 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | | -168.4 | 124.9 | 94.3 | -95.4 | -61.3 | 160.6 | 0 | 0 | 111.8 | | |
| 290 | T | 35.1 | Very low | 34 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | -138.8 | 126.8 | 173.7 | -29.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 291 | S | 32.7 | Very low | 35.3 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -137.4 | 113 | -175.9 | -65.1 | 0 | 0 | 0 | 0 | 112 | | |
| 292 | S | 33.6 | Very low | 36 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -99.3 | 147.9 | 170.3 | -53 | 0 | 0 | 0 | 0 | 110.5 | | |
| 293 | I | 34.4 | Very low | 35.8 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | | | trans | -137.4 | 150.2 | 153.1 | 53.2 | 170.9 | 0 | 0 | 0 | 110.2 | | |
| 294 | S | 33.1 | Very low | 36 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -124.4 | 156.5 | -167.9 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 295 | S | 36.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -74.9 | 147.2 | 177.8 | -42.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 296 | V | 35.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | | | trans | -156.4 | 129.8 | 156.9 | -95.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 297 | S | 31.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 60.5 | 92 | 131.8 | -53.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 298 | A | 35.6 | Very low | 36 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | | 47.2 | 127.5 | 111.4 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 299 | K | 32 | Very low | 36.1 | Very low | 207 Ų | 207 | 134.2 Ų | 134.2 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | -158.1 | 168.7 | 142.8 | -138 | 80 | 175.7 | -169 | 0 | 112.3 | | |
| 300 | L | 35.8 | Very low | 36.2 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -140.2 | 174.7 | -177.5 | -74.9 | 167.9 | 0 | 0 | 0 | 109 | | |
| 301 | P | 56.9 | Low | 36.8 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | cis | -122.7 | -125.7 | -28.4 | 31.5 | -7.6 | 0 | 0 | 0 | 108.6 | | |
| 302 | P | 54.6 | Low | 36.9 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | cis | -135.6 | 162.9 | -33.5 | 37.4 | -18.6 | 0 | 0 | 0 | 118.2 | | |
| 303 | S | 32.6 | Very low | 37 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | 73.1 | 140.7 | 139.4 | 71.6 | 0 | 0 | 0 | 0 | 124.9 | | |
| 304 | H | 34.9 | Very low | 37.2 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | | | trans | 64.6 | 149.5 | 164.9 | -63.3 | -77.7 | 0 | 0 | 0 | 119.5 | | |
| 305 | A | 33.8 | Very low | 37.9 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 60% | 0.595 | 76% | 0.764 | S | S | * | * | | | cis | -170.4 | 167.5 | -26 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 306 | F | 31.9 | Very low | 37.8 | Very low | 202 Ų | 202 | 137.1 Ų | 137.1 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | | | trans | 65.5 | 151.7 | 171.4 | -78.4 | -97.8 | 0 | 0 | 0 | 116.9 | | |
| 307 | S | 32.2 | Very low | 37.7 | Very low | 68 Ų | 68 | 140 Ų | 140 | 48% | 0.476 | 77% | 0.767 | S | S | . | * | | | cis | -164.6 | 156 | -17.5 | -152.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 308 | H | 37.5 | Very low | 38 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | 61 | 161.1 | 168.3 | -45.4 | -62.4 | 0 | 0 | 0 | 116.4 | | |
| 309 | Q | 36.7 | Very low | 38.5 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | cis | -126.6 | -165.9 | 13.4 | -54.4 | -78 | 0.9 | 0 | 0 | 112.1 | | |
| 310 | V | 34 | Very low | 39.3 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -146.8 | 162.1 | -161.2 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 311 | P | 48.4 | Very low | 40.3 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | cis | -126.2 | -177.3 | -25.8 | 37.7 | -22 | 0 | 0 | 0 | 114.2 | | |
| 312 | L | 33.8 | Very low | 39.2 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | | -173.2 | 129.1 | 118.8 | -102.6 | 169.3 | 0 | 0 | 0 | 115.2 | | |
| 313 | R | 36.4 | Very low | 38.3 | Very low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | | | trans | 44.6 | 104.4 | 157.1 | -82 | -174 | 172.3 | 177.9 | -1.9 | 123.3 | | |
| 314 | T | 39.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 141 Ų | 141 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | | 45.4 | 135.2 | 116.5 | 60.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 315 | P | 46.4 | Very low | 38 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | | -138.8 | 151.8 | 89.7 | 38.3 | -26.5 | 0 | 0 | 0 | 117.8 | | |
| 316 | V | 34.5 | Very low | 38 | Very low | 143 Ų | 143 | 138.5 Ų | 138.5 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | 17.6 | 133.5 | 153.6 | -170.6 | 0 | 0 | 0 | 0 | 121 | | |
| 317 | K | 32.6 | Very low | 38.1 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | -135.8 | 135.1 | 173.1 | -179.9 | 79.9 | 170 | -172.4 | 0 | 110 | | |
| 318 | C | 37.4 | Very low | 38.7 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -86.1 | 143.2 | 177.5 | -52.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 319 | P | 47.6 | Very low | 38.5 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -104.2 | 156.9 | 168.6 | 37.6 | -31.5 | 0 | 0 | 0 | 113.9 | | |
| 320 | P | 47.3 | Very low | 38.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -94.9 | 172.6 | 174.3 | 38.6 | -35.3 | 0 | 0 | 0 | 113.5 | | |
| 321 | P | 57.9 | Low | 38.5 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -102 | 157 | -172.9 | 38.6 | -34.6 | 0 | 0 | 0 | 115.4 | | |
| 322 | L | 34.1 | Very low | 38.2 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 97% | 0.969 | 80% | 0.795 | S | S | * | * | | | trans | -146.9 | 168.5 | 150.4 | -84.4 | -173.2 | 0 | 0 | 0 | 109.4 | | |
| 323 | A | 35 | Very low | 38.2 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | 166.9 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 324 | D | 28.5 | Very low | 38.3 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | | -167.3 | 167.1 | 121.7 | -111.7 | -32.6 | 0 | 0 | 0 | 114.6 | | |
| 325 | S | 33.2 | Very low | 38 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -7.4 | 152.1 | 160.3 | -80.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 326 | S | 32.9 | Very low | 37.3 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | cis | -173.6 | 158.9 | 3.4 | 47.6 | 0 | 0 | 0 | 0 | 114 | | |
| 327 | S | 35.7 | Very low | 37.2 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | 76.9 | 154.4 | 151.8 | -62.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 328 | P | 44.7 | Very low | 37.4 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -121.8 | 166.1 | -162 | 41.6 | -27.6 | 0 | 0 | 0 | 116 | | |
| 329 | V | 33.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | | | trans | -131.1 | 132.3 | 161.5 | 175 | 0 | 0 | 0 | 0 | 108.8 | Y331 | V329-Y331 HydrophobicContact CG1-CD2 4.46Å; V329-Y331 HydrophobicContact CG1-CE2 4.22Å |
| 330 | S | 33.9 | Very low | 36.9 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -107.3 | 138.2 | -173.6 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 331 | Y | 36.8 | Very low | 36.9 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -138 | 152.6 | 159.5 | -82.7 | -74.1 | 0 | 0 | 0 | 110.6 | V329 | V329-Y331 HydrophobicContact CG1-CD2 4.46Å; V329-Y331 HydrophobicContact CG1-CE2 4.22Å |
| 332 | P | 42 | Very low | 35.6 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -87.3 | 157.9 | -157.5 | 33.7 | -37 | 0 | 0 | 0 | 115 | | |
| 333 | R | 32.8 | Very low | 35.4 | Very low | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | | | trans | -111.9 | 127.8 | 173.5 | 175.5 | -179.6 | 178.3 | 173.2 | 1.4 | 109.9 | | |
| 334 | P | 38.8 | Very low | 34.9 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | | | trans | -75.8 | 145.2 | 170.6 | 31.4 | -33.3 | 0 | 0 | 0 | 111.1 | | |
| 335 | S | 32.7 | Very low | 34.9 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -120.9 | 122.8 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 336 | F | 31.6 | Very low | 34.8 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | | | trans | -109 | 133.7 | 168.2 | -77.1 | -84.4 | 0 | 0 | 0 | 109.4 | | |
| 337 | S | 32.9 | Very low | 34.9 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -126.5 | 132.9 | -174.8 | 53 | 0 | 0 | 0 | 0 | 111.2 | | |
| 338 | I | 35.6 | Very low | 35.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99 | 133.7 | -179.4 | -61.3 | 168.1 | 0 | 0 | 0 | 109.2 | | |
| 339 | P | 42.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 164.3 | 179.8 | 34.6 | -35.3 | 0 | 0 | 0 | 114.7 | | |
| 340 | E | 33.7 | Very low | 34.8 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 159.2 | -178.8 | -118.4 | -170.1 | 142 | 0 | 0 | 114.3 | | |
| 341 | P | 45.6 | Very low | 34.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -113.9 | 116.5 | -179.6 | 36.6 | -24.8 | 0 | 0 | 0 | 115.2 | | |
| 342 | V | 32 | Very low | 34.6 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -140.2 | 96.9 | 173.8 | -171.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 343 | K | 28.4 | Very low | 35.1 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | 49.3 | 111.7 | 131.5 | -169.9 | -175.1 | -178.8 | -177.4 | 0 | 122.2 | | |
| 344 | C | 24.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -158.9 | 138.8 | 136.6 | -103.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 345 | Q | 29.7 | Very low | 35 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | | | | 82 | 108.4 | 52.9 | -114.5 | -168.1 | -1.4 | 0 | 0 | 116.5 | | |
| 346 | Q | 31.8 | Very low | 34.9 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | 45.6 | 124.5 | 151.4 | -73.4 | 176.1 | -22.6 | 0 | 0 | 122.4 | | |
| 347 | T | 33.9 | Very low | 35 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -103.2 | 135 | 166.8 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 348 | P | 47.4 | Very low | 34.9 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | | | trans | -140.9 | 138.2 | 158.2 | 36.7 | -21.8 | 0 | 0 | 0 | 114.7 | | |
| 349 | L | 32.8 | Very low | 35 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -178.7 | 121.8 | 155 | -93.1 | 141.2 | 0 | 0 | 0 | 106.3 | | |
| 350 | S | 32.5 | Very low | 34.7 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | | 82.1 | 140.3 | 79.7 | -156.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 351 | T | 31.8 | Very low | 34.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | cis | -147.5 | 166 | 28.3 | -55.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 352 | A | 34 | Very low | 34 | Very low | 85 Ų | 85 | 140.7 Ų | 140.7 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | -86.6 | -174.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 353 | P | 52.8 | Low | 34 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | | -147.6 | 159.7 | 77.3 | 38 | -18.9 | 0 | 0 | 0 | 118.5 | | |
| 354 | V | 35.7 | Very low | 34.2 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | 27.5 | 135.4 | 141.7 | -171.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 355 | G | 32.4 | Very low | 34.7 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | | | cis | 156.4 | -178.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 356 | Y | 31.3 | Very low | 35 | Very low | 224 Ų | 224 | 131.4 Ų | 131.4 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | | | trans | 77.2 | 128.8 | 163.7 | -114.2 | -117.6 | 0 | 0 | 0 | 123 | | |
| 357 | L | 33.8 | Very low | 35.1 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | 80.3 | 92.8 | 139.8 | -150 | 70.5 | 0 | 0 | 0 | 124.3 | | |
| 358 | N | 31.1 | Very low | 35 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | | 55.3 | 145.1 | 119.1 | -151.4 | 13.4 | 0 | 0 | 0 | 124.4 | | |
| 359 | Q | 37.3 | Very low | 34.4 | Very low | 152 Ų | 152 | 124.4 Ų | 124.4 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | trans | 91.6 | 105.8 | 144.4 | -118.8 | 171.5 | 107.6 | 0 | 0 | 123.2 | | |
| 360 | M | 36.4 | Very low | 34.5 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | | 50.6 | 151.8 | 127.6 | -59.6 | -70.8 | -84.6 | 0 | 0 | 124.1 | | |
| 361 | Y | 34.9 | Very low | 34.6 | Very low | 225 Ų | 225 | 129.2 Ų | 129.2 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 149.5 | 176.5 | -58.7 | -89.5 | 0 | 0 | 0 | 116.2 | | |
| 362 | G | 30 | Very low | 35.1 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | cis | 161.2 | 115.7 | -12.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 363 | G | 31.8 | Very low | 35.9 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | 78.1 | 172.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 364 | T | 32.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | cis | -151.3 | 158 | -6.1 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 365 | A | 35.2 | Very low | 35.1 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | 59.3 | 120.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 366 | S | 35.9 | Very low | 35.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | | 84.7 | 111.3 | 122 | -65.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 367 | S | 33.2 | Very low | 35.7 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | | 109.4 | 132.4 | 117.7 | -158.3 | 0 | 0 | 0 | 0 | 120 | | |
| 368 | A | 32.8 | Very low | 35.9 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | 61.6 | 142.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 369 | A | 34.9 | Very low | 36 | Very low | 75 Ų | 75 | 133.2 Ų | 133.2 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | cis | -165.7 | -171.4 | -13.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 370 | H | 35.1 | Very low | 36.1 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | 96.2 | 143.8 | 163.4 | -52.9 | -77.2 | 0 | 0 | 0 | 119.3 | | |
| 371 | F | 34.7 | Very low | 36.9 | Very low | 200 Ų | 200 | 129.7 Ų | 129.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | 71.7 | 82.5 | 172.3 | -64 | -71.1 | 0 | 0 | 0 | 120.6 | | |
| 372 | T | 41.6 | Very low | 37.4 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -92.5 | 175.6 | 132.2 | 57.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 373 | P | 51.6 | Low | 38.5 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | cis | -133.2 | 155.7 | 6 | 41 | -24.1 | 0 | 0 | 0 | 118 | | |
| 374 | S | 36.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 22.2 | 128.6 | 137.7 | -47.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 375 | H | 35.3 | Very low | 39 | Very low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | | -145.7 | 145.3 | 107 | -141 | -88.6 | 0 | 0 | 0 | 112 | | |
| 376 | L | 40.9 | Very low | 38.9 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -146.7 | 153.8 | -179.7 | -163.4 | 85.7 | 0 | 0 | 0 | 109.4 | | |
| 377 | G | 35.2 | Very low | 38.8 | Very low | 60 Ų | 60 | 132.7 Ų | 132.7 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | | | trans | 119.9 | 102.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 378 | Q | 37 | Very low | 39 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | | 100.2 | 153.9 | 60.6 | -86.1 | -169.5 | -26.4 | 0 | 0 | 111.8 | | |
| 379 | L | 33.8 | Very low | 39.1 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | | | trans | -118 | 176.5 | -157.9 | -65.9 | 166.3 | 0 | 0 | 0 | 112.5 | | |
| 380 | S | 39.3 | Very low | 38.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 106.8 | 166.4 | 158.8 | -29.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 381 | P | 52.6 | Low | 38.6 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | | -130.6 | 175.6 | -114.2 | 24.9 | 0.8 | 0 | 0 | 0 | 115.3 | | |
| 382 | P | 47.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | -83.3 | 151 | 171 | 33.7 | -34.4 | 0 | 0 | 0 | 113.4 | | |
| 383 | P | 52.3 | Low | 38.2 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -100.2 | -179.5 | 178.2 | 40.3 | -36.4 | 0 | 0 | 0 | 114.1 | | |
| 384 | E | 38.9 | Very low | 37.3 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -129.9 | 158.7 | -177.8 | -88.4 | -93.2 | 90.3 | 0 | 0 | 112.5 | | |
| 385 | T | 36.1 | Very low | 37.2 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | 69.9 | 161.1 | 173.1 | 85.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 386 | S | 33.2 | Very low | 37 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | cis | -141.2 | -164.9 | 14.9 | -82.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 387 | S | 32.7 | Very low | 37.7 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -132.8 | -179.2 | -150.6 | 59.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 388 | S | 37.1 | Very low | 37.6 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 89.1 | 159.8 | 165.8 | 93.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 389 | S | 35.5 | Very low | 37.4 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -153 | 161.1 | 14.6 | -88.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 390 | C | 28.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 60.9 | 158.4 | 153.9 | 80.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 391 | S | 30.2 | Very low | 37.4 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | cis | -148.7 | 154.2 | 12.9 | -63.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 392 | S | 32.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | 58.6 | 126.3 | 144.3 | -57 | 0 | 0 | 0 | 0 | 124.8 | | |
| 393 | S | 36.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 39.5 | 136.7 | 130.8 | -40.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 394 | C | 32.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | | | | 179.7 | 150.8 | 71.1 | -93.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 395 | I | 33.7 | Very low | 34.7 | Very low | 165 Ų | 165 | 119.8 Ų | 119.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | 68.8 | 136.8 | 138.8 | -63.6 | -68.5 | 0 | 0 | 0 | 121.7 | | |
| 396 | L | 29.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 122.3 Ų | 122.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -92.9 | -169.7 | 170 | -68.2 | 166.6 | 0 | 0 | 0 | 110.8 | | |
| 397 | P | 56.6 | Low | 34.4 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | cis | -130.9 | -154 | -11.6 | 33.2 | -9.6 | 0 | 0 | 0 | 112.3 | | |
| 398 | A | 32.3 | Very low | 34.4 | Very low | 88 Ų | 88 | 122 Ų | 122 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | 84.2 | 143.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 399 | S | 34 | Very low | 34.1 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | cis | -170.3 | 149.5 | -14.6 | 47.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 400 | S | 34.9 | Very low | 34 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 58% | 0.58 | 76% | 0.755 | S | S | * | * | | | trans | 67.2 | 162.9 | 142.7 | 63.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 401 | F | 38.3 | Very low | 34.1 | Very low | 203 Ų | 203 | 125.1 Ų | 125.1 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | | | trans | 68.4 | 127.4 | 179.1 | -46.2 | -75.9 | 0 | 0 | 0 | 115.7 | | |
| 402 | G | 32.3 | Very low | 34.5 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | | | cis | 167.7 | 160.3 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 403 | R | 33.5 | Very low | 34.4 | Very low | 248 Ų | 248 | 130.1 Ų | 130.1 | 94% | 0.936 | 75% | 0.753 | S | S | * | * | | | trans | 10.3 | 141.4 | 145.4 | -89.7 | -177.1 | 162 | -161.7 | -5.2 | 118.9 | | |
| 404 | S | 31.4 | Very low | 34.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | cis | -176 | 162.9 | 4.4 | -159 | 0 | 0 | 0 | 0 | 111.9 | | |
| 405 | A | 35.8 | Very low | 34.5 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | | | trans | 63.3 | 131.2 | 138 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 406 | H | 33 | Very low | 34.7 | Very low | 179 Ų | 179 | 122.7 Ų | 122.7 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | | | trans | 68.3 | 154.7 | 147.9 | -80.6 | -97.9 | 0 | 0 | 0 | 118.7 | | |
| 407 | S | 30.8 | Very low | 35 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | cis | -146.8 | 171.7 | -0.8 | -138.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 408 | D | 32.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -63.1 | 143.6 | 175.8 | -33.8 | -108.9 | 0 | 0 | 0 | 114.7 | | |
| 409 | Q | 30.1 | Very low | 35.4 | Very low | 194 Ų | 194 | 123.7 Ų | 123.7 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | | | trans | -153.1 | 174.9 | 134.2 | -145.3 | 106.6 | 129 | 0 | 0 | 111.1 | | |
| 410 | S | 35 | Very low | 35.7 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | trans | -128.9 | 170 | -153.3 | 55.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 411 | S | 30.8 | Very low | 36.3 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | | | trans | 83.4 | 132.7 | 153.3 | -93.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 412 | L | 37 | Very low | 36.7 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | trans | 50.5 | 121.3 | 139.6 | -58 | 168.2 | 0 | 0 | 0 | 117.6 | | |
| 413 | E | 31.4 | Very low | 37.4 | Very low | 164 Ų | 164 | 116.5 Ų | 116.5 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | | | | -159.7 | 176.4 | 68.9 | -105.5 | -54.1 | 132.6 | 0 | 0 | 113.9 | | |
| 414 | A | 40.2 | Very low | 38.1 | Very low | 94 Ų | 94 | 109.3 Ų | 109.3 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | | | trans | -84.4 | 140.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 415 | G | 31.2 | Very low | 38.6 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 78% | 0.784 | 67% | 0.673 | S | S | * | * | | | trans | -140.1 | 113.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | H417 | G415-H417 PolarHBondContact O-N 3.48Š|
| 416 | G | 37.5 | Very low | 39.3 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | | | trans | -78.9 | 107.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | M418 | G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 2.98Å; G416-M418 VanDerWaalsContact O-N 3.08Å |
| 417 | H | 36.5 | Very low | 40.2 | Very low | 157 Ų | 157 | 107.7 Ų | 107.7 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | | | trans | -84.1 | 65.5 | 174.6 | -165.8 | -72.7 | 0 | 0 | 0 | 112.6 | G415 G419 | G415-H417 PolarHBondContact O-N 3.48Å; H417-G419 VanDerWaalsContact C-N 3.28Å; H417-G419 PolarHBondContact O-N 3.34Å |
| 418 | M | 50.7 | Low | 41.1 | Very low | 176 Ų | 176 | 107.9 Ų | 107.9 | 87% | 0.867 | 64% | 0.638 | S | S | * | * | | | trans | -78.4 | 79.5 | 170.4 | 56.9 | -148 | 76.1 | 0 | 0 | 110.7 | G416 | G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 2.98Å; G416-M418 VanDerWaalsContact O-N 3.08Å |
| 419 | G | 47.1 | Very low | 42.4 | Very low | 49 Ų | 49 | 104.6 Ų | 104.6 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | | | trans | -166.9 | 27.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | H417 S421 | H417-G419 VanDerWaalsContact C-N 3.28Å; H417-G419 PolarHBondContact O-N 3.34Å; G419-S421 PolarHBondContact O-N 3.12Å |
| 420 | S | 40.3 | Very low | 44.1 | Very low | 92 Ų | 92 | 101 Ų | 101 | 64% | 0.643 | 61% | 0.61 | S | S | * | * | | | trans | -61.1 | 118.5 | 175.4 | -84.7 | 0 | 0 | 0 | 0 | 111.4 | E424 | S420-E424 WeakPolarHBondContact CA-OE2 3.47Å; S420-E424 WeakPolarHBondContact CB-OE2 3.4Å; S420-E424 PolarHBondContact OG-OE2 3.14Å |
| 421 | S | 47.1 | Very low | 45.2 | Very low | 68 Ų | 68 | 103.2 Ų | 103.2 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | | | trans | -63.1 | 145.7 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | G419 A423 E424 | G419-S421 PolarHBondContact O-N 3.12Å; S421-A423 PolarHBondContact O-N 2.91Å; S421-A423 PolarHBondContact OG-N 3.11Å; S421-E424 WeakPolarHBondContact O-CB 3.27Å; S421-E424 PolarHBondContact O-N 3.42Å |
| 422 | S | 45.7 | Very low | 46.5 | Very low | 85 Ų | 85 | 104.2 Ų | 104.2 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.3 | -21.5 | 175.9 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | E424 F425 W426 | S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.4Å; S422-F425 PolarHBondContact O-N 3.41Å; S422-W426 PolarHBondContact O-N 3.2Å |
| 423 | A | 48.3 | Very low | 48 | Very low | 55 Ų | 55 | 103.2 Ų | 103.2 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.9 | -32.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S421 S427 | S421-A423 PolarHBondContact O-N 2.91Å; S421-A423 PolarHBondContact OG-N 3.11Å; A423-S427 WeakPolarHBondContact O-CB 3.31Å; A423-S427 PolarHBondContact O-N 2.85Å; A423-S427 PolarHBondContact O-OG 3.07Å |
| 424 | E | 47.5 | Very low | 49 | Very low | 98 Ų | 98 | 102.4 Ų | 102.4 | 46% | 0.458 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.6 | -46 | 178.3 | -62.1 | 179.2 | 158 | 0 | 0 | 110.6 | S420 S421 S422 W426 S427 E428 | S420-E424 WeakPolarHBondContact CA-OE2 3.47Å; S420-E424 WeakPolarHBondContact CB-OE2 3.4Å; S420-E424 PolarHBondContact OG-OE2 3.14Å; S421-E424 WeakPolarHBondContact O-CB 3.27Å; S421-E424 PolarHBondContact O-N 3.42Å; S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.4Å; E424-W426 PolarHBondContact O-N 3.11Å; E424-S427 WeakPolarHBondContact O-CB 3.47Å; E424-S427 PolarHBondContact O-N 3Å; E424-S427 VanDerWaalsContact O-N 3.12Å; E424-E428 PolarHBondContact O-N 2.95Å |
| 425 | F | 43.2 | Very low | 49.9 | Very low | 132 Ų | 132 | 102 Ų | 102 | 58% | 0.579 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.4 | -45.5 | 175.2 | 177.1 | -97.4 | 0 | 0 | 0 | 112.3 | S422 S427 E428 V429 | S422-F425 PolarHBondContact O-N 3.41Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.73Å; F425-E428 PolarHBondContact O-N 3.26Å; F425-V429 HydrophobicContact CD1-CG2 4.44Å; F425-V429 HydrophobicContact CE1-CG2 4.04Å; F425-V429 HydrophobicContact CE2-CG2 4.39Å; F425-V429 HydrophobicContact CZ-CG2 4.01Å; F425-V429 WeakPolarHBondContact O-CG2 3.43Å; F425-V429 PolarHBondContact O-N 3.05Å |
| 426 | W | 48.4 | Very low | 51.2 | Low | 132 Ų | 132 | 104.6 Ų | 104.6 | 50% | 0.5 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -34.8 | 176.1 | -66.6 | 117.2 | 0 | 0 | 0 | 112.7 | S422 E424 E428 V429 D430 | S422-W426 PolarHBondContact O-N 3.2Å; E424-W426 PolarHBondContact O-N 3.11Å; W426-E428 VanDerWaalsContact C-N 3.31Å; W426-E428 PolarHBondContact O-N 3.31Å; W426-V429 PolarHBondContact O-N 3.05Å; W426-D430 WeakPolarHBondContact O-CB 3.49Å; W426-D430 PolarHBondContact O-N 3.3Å |
| 427 | S | 53 | Low | 51.7 | Low | 56 Ų | 56 | 110.9 Ų | 110.9 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -32.1 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | A423 E424 F425 R431 | A423-S427 WeakPolarHBondContact O-CB 3.31Å; A423-S427 PolarHBondContact O-N 2.85Å; A423-S427 PolarHBondContact O-OG 3.07Å; E424-S427 WeakPolarHBondContact O-CB 3.47Å; E424-S427 PolarHBondContact O-N 3Å; E424-S427 VanDerWaalsContact O-N 3.12Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.73Å; S427-R431 WeakPolarHBondContact O-CB 3.14Å; S427-R431 WeakPolarHBondContact O-CG 3.37Å; S427-R431 PolarHBondContact O-N 3.39Å; S427-R431 VanDerWaalsContact O-N 3.09Å |
| 428 | E | 49.2 | Very low | 52.8 | Low | 96 Ų | 96 | 106.5 Ų | 106.5 | 45% | 0.449 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.4 | -37.4 | 178.1 | -149.9 | 62.7 | -169 | 0 | 0 | 112.1 | E424 F425 W426 R431 H432 | E424-E428 PolarHBondContact O-N 2.95Å; F425-E428 PolarHBondContact O-N 3.26Å; W426-E428 VanDerWaalsContact C-N 3.31Å; W426-E428 PolarHBondContact O-N 3.31Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE2-NH1 3.5Å; E428-H432 WeakPolarHBondContact O-CB 3.38Å; E428-H432 PolarHBondContact O-CD2 3.15Å; E428-H432 PolarHBondContact O-N 3.28Å |
| 429 | V | 60 | Low | 52.8 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 37% | 0.37 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 171.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | F425 W426 H432 E433 | F425-V429 HydrophobicContact CD1-CG2 4.44Å; F425-V429 HydrophobicContact CE1-CG2 4.04Å; F425-V429 HydrophobicContact CE2-CG2 4.39Å; F425-V429 HydrophobicContact CZ-CG2 4.01Å; F425-V429 WeakPolarHBondContact O-CG2 3.43Å; F425-V429 PolarHBondContact O-N 3.05Å; W426-V429 PolarHBondContact O-N 3.05Å; V429-H432 PolarHBondContact O-N 3.04Å; V429-E433 PolarHBondContact O-N 3.43Å |
| 430 | D | 65.1 | Low | 53.2 | Low | 120 Ų | 120 | 106.4 Ų | 106.4 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -38.7 | 179 | -160.1 | 50.4 | 0 | 0 | 0 | 111.5 | W426 F434 | W426-D430 WeakPolarHBondContact O-CB 3.49Å; W426-D430 PolarHBondContact O-N 3.3Å; D430-F434 WeakPolarHBondContact O-CB 3.34Å; D430-F434 PolarHBondContact O-N 2.67Å |
| 431 | R | 59.1 | Low | 53.5 | Low | 148 Ų | 148 | 105.4 Ų | 105.4 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 169.5 | -81 | -174.5 | -176.5 | 96.8 | 8.1 | 112.7 | S427 E428 E433 F434 D435 | S427-R431 WeakPolarHBondContact O-CB 3.14Å; S427-R431 WeakPolarHBondContact O-CG 3.37Å; S427-R431 PolarHBondContact O-N 3.39Å; S427-R431 VanDerWaalsContact O-N 3.09Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE2-NH1 3.5Å; R431-E433 PolarHBondContact O-N 3.16Å; R431-F434 PolarHBondContact O-N 3.49Å; R431-D435 PolarHBondContact O-N 3.41Å |
| 432 | H | 57.8 | Low | 53.5 | Low | 120 Ų | 120 | 112 Ų | 112 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.3 | -34.1 | -179.5 | -79.1 | -43.1 | 0 | 0 | 0 | 113 | E428 V429 Q436 | E428-H432 WeakPolarHBondContact O-CB 3.38Å; E428-H432 PolarHBondContact O-CD2 3.15Å; E428-H432 PolarHBondContact O-N 3.28Å; V429-H432 PolarHBondContact O-N 3.04Å; H432-Q436 WeakPolarHBondContact O-CB 3.41Å; H432-Q436 PolarHBondContact O-N 3.21Å |
| 433 | E | 69.4 | Low | 53 | Low | 125 Ų | 125 | 112.6 Ų | 112.6 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67 | -42 | 171.5 | -172.1 | 168.7 | 171.5 | 0 | 0 | 111.1 | V429 R431 Q436 Y437 | V429-E433 PolarHBondContact O-N 3.43Å; R431-E433 PolarHBondContact O-N 3.16Å; E433-Q436 PolarHBondContact O-N 3Å; E433-Y437 WeakPolarHBondContact O-CB 3.47Å; E433-Y437 PolarHBondContact O-N 3.41Å |
| 434 | F | 50.9 | Low | 52.5 | Low | 147 Ų | 147 | 119.9 Ų | 119.9 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62 | -50.1 | 175.3 | -176.1 | -95.2 | 0 | 0 | 0 | 112.6 | D430 R431 Q436 Y437 V438 | D430-F434 WeakPolarHBondContact O-CB 3.34Å; D430-F434 PolarHBondContact O-N 2.67Å; R431-F434 PolarHBondContact O-N 3.49Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; F434-Y437 WeakPolarHBondContact O-CB 3.17Å; F434-Y437 PolarHBondContact O-N 3.3Å; F434-Y437 VanDerWaalsContact O-N 3.13Å; F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.8Å; F434-V438 HydrophobicContact CE2-CG2 4.47Å; F434-V438 HydrophobicContact CZ-CG2 3.98Å; F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 3.32Å |
| 435 | D | 60.1 | Low | 51.9 | Low | 86 Ų | 86 | 122.1 Ų | 122.1 | 46% | 0.46 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -36.8 | 177.5 | -99.7 | -31.2 | 0 | 0 | 0 | 112 | R431 Y437 V438 N439 | R431-D435 PolarHBondContact O-N 3.41Å; D435-Y437 VanDerWaalsContact C-N 3.33Å; D435-V438 PolarHBondContact O-N 3.37Å; D435-N439 VanDerWaalsContact O-CB 3.3Å; D435-N439 WeakPolarHBondContact O-CB 3.31Å; D435-N439 PolarHBondContact O-N 3.46Å; D435-N439 PolarHBondContact O-ND2 3.31Å |
| 436 | Q | 57.5 | Low | 51.4 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.2 | -42.9 | 172.5 | -176.2 | 172.7 | 78.4 | 0 | 0 | 110.7 | H432 E433 F434 M440 | H432-Q436 WeakPolarHBondContact O-CB 3.41Å; H432-Q436 PolarHBondContact O-N 3.21Å; E433-Q436 PolarHBondContact O-N 3Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; Q436-M440 HydrophobicContact CG-CE 4.12Å; Q436-M440 VanDerWaalsContact O-CB 3.24Å; Q436-M440 WeakPolarHBondContact O-CB 3.48Å; Q436-M440 PolarHBondContact O-N 3.39Å |
| 437 | Y | 49.7 | Very low | 51.3 | Low | 196 Ų | 196 | 120.9 Ų | 120.9 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 178.6 | -160.3 | -91.6 | 0 | 0 | 0 | 112.7 | E433 F434 D435 | E433-Y437 WeakPolarHBondContact O-CB 3.47Å; E433-Y437 PolarHBondContact O-N 3.41Å; F434-Y437 WeakPolarHBondContact O-CB 3.17Å; F434-Y437 PolarHBondContact O-N 3.3Å; F434-Y437 VanDerWaalsContact O-N 3.13Å; D435-Y437 VanDerWaalsContact C-N 3.33Å |
| 438 | V | 58.5 | Low | 50.6 | Low | 64 Ų | 64 | 129.1 Ų | 129.1 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.1 | -44.5 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | F434 D435 G441 | F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.8Å; F434-V438 HydrophobicContact CE2-CG2 4.47Å; F434-V438 HydrophobicContact CZ-CG2 3.98Å; F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 3.32Å; D435-V438 PolarHBondContact O-N 3.37Å; V438-G441 PolarHBondContact O-N 3.08Å |
| 439 | N | 51.8 | Low | 49.8 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 47% | 0.471 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -77 | -27.8 | -177.1 | -72 | -69.7 | 0 | 0 | 0 | 113.3 | D435 G441 R442 | D435-N439 VanDerWaalsContact O-CB 3.3Å; D435-N439 WeakPolarHBondContact O-CB 3.31Å; D435-N439 PolarHBondContact O-N 3.46Å; D435-N439 PolarHBondContact O-ND2 3.31Å; N439-G441 PolarHBondContact O-N 3.38Å; N439-G441 VanDerWaalsContact O-N 3.15Å; N439-R442 PolarHBondContact O-N 2.93Å |
| 440 | M | 54.7 | Low | 48.9 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60 | -23.3 | 171.3 | -159.4 | 68.1 | 60.1 | 0 | 0 | 112.5 | Q436 R442 | Q436-M440 HydrophobicContact CG-CE 4.12Å; Q436-M440 VanDerWaalsContact O-CB 3.24Å; Q436-M440 WeakPolarHBondContact O-CB 3.48Å; Q436-M440 PolarHBondContact O-N 3.39Å; M440-R442 VanDerWaalsContact C-N 3.32Å |
| 441 | G | 45.6 | Very low | 47.5 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V438 N439 | V438-G441 PolarHBondContact O-N 3.08Å; N439-G441 PolarHBondContact O-N 3.38Å; N439-G441 VanDerWaalsContact O-N 3.15Å |
| 442 | R | 47.3 | Very low | 46.2 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -12.1 | -173.1 | -74.6 | -174.8 | 172.7 | -111.8 | 1.6 | 115.6 | N439 M440 | N439-R442 PolarHBondContact O-N 2.93Å; M440-R442 VanDerWaalsContact C-N 3.32Å |
| 443 | S | 36.6 | Very low | 45 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | | | trans | -117.8 | 91.7 | 179.6 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 444 | R | 37.5 | Very low | 43.3 | Very low | 208 Ų | 208 | 130 Ų | 130 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | -152.1 | 45.3 | 165.2 | -143 | -157.9 | 88 | -170 | 8 | 113.5 | E446 | R444-E446 PolarHBondContact O-N 3.24Å; R444-E446 VanDerWaalsContact O-N 3.09Å |
| 445 | D | 35.4 | Very low | 42.3 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | | | trans | -67.6 | 100.4 | 170.9 | -60.1 | -73.9 | 0 | 0 | 0 | 110.3 | P447 | D445-P447 WeakPolarHBondContact O-CD 3.47Š|
| 446 | E | 32.7 | Very low | 41.2 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -88.5 | 115.1 | 169.3 | -78.5 | -81 | 137.5 | 0 | 0 | 109.1 | R444 | R444-E446 PolarHBondContact O-N 3.24Å; R444-E446 VanDerWaalsContact O-N 3.09Å |
| 447 | P | 46.3 | Very low | 39.9 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 54% | 0.539 | 76% | 0.755 | S | S | . | * | | | trans | -80.2 | 166.8 | 174.4 | 32.3 | -34.1 | 0 | 0 | 0 | 112.8 | D445 | D445-P447 WeakPolarHBondContact O-CD 3.47Š|
| 448 | Y | 37.8 | Very low | 39.3 | Very low | 230 Ų | 230 | 120.3 Ų | 120.3 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | trans | 76.2 | 129.4 | 174.3 | -43.4 | -70.1 | 0 | 0 | 0 | 117.4 | | |
| 449 | G | 32.7 | Very low | 38.2 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | | | trans | 133.7 | 65.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 450 | L | 40 | Very low | 37.3 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -71.1 | 136.3 | 174.3 | -140.1 | 79.6 | 0 | 0 | 0 | 111.7 | | |
| 451 | V | 35.3 | Very low | 36.4 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | | | trans | 157.9 | 137.1 | 134 | 156.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 452 | G | 32 | Very low | 35.6 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | trans | 96 | 109.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 453 | G | 32.4 | Very low | 34.7 | Very low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -126.3 | -172.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 454 | C | 33.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 99% | 0.993 | 81% | 0.813 | S | S | * | * | | | trans | 71 | 145.9 | 172.6 | -55.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 455 | G | 31.6 | Very low | 34.2 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | 123.8 | 74.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 456 | G | 36.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | | | trans | -77.5 | 131.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 457 | G | 30.4 | Very low | 34.1 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | | | trans | -162 | 112.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 458 | S | 36.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | | | trans | -86.3 | 165.8 | 175.9 | -62 | 0 | 0 | 0 | 0 | 112.2 | | |
| 459 | K | 35.6 | Very low | 32.8 | Very low | 195 Ų | 195 | 113.8 Ų | 113.8 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | | | trans | 58.7 | 125.7 | 154.2 | 59.7 | 176.5 | 176.2 | -174.1 | 0 | 119 | | |
| 460 | V | 34.1 | Very low | 32.8 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | | | | 179.8 | 152.8 | 113.1 | 147.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 461 | L | 35.9 | Very low | 32.3 | Very low | 173 Ų | 173 | 111.7 Ų | 111.7 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | | | trans | -83.2 | 147.5 | 173.6 | -72.4 | 77.3 | 0 | 0 | 0 | 111 | | |
| 462 | G | 28.6 | Very low | 32.4 | Very low | 83 Ų | 83 | 109.8 Ų | 109.8 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -161.9 | 136.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 463 | G | 28.8 | Very low | 32.7 | Very low | 68 Ų | 68 | 114.1 Ų | 114.1 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | trans | -139.6 | 165.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 464 | C | 32.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 115 Ų | 115 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | trans | 60.3 | 134.2 | 164.5 | 67.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 465 | N | 31.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 116.3 Ų | 116.3 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | 76.8 | 151.8 | 148.8 | -63.9 | 1.4 | 0 | 0 | 0 | 121.8 | | |
| 466 | A | 31.9 | Very low | 32.8 | Very low | 84 Ų | 84 | 118.9 Ų | 118.9 | 69% | 0.694 | 81% | 0.807 | S | S | * | * | | | cis | -178.2 | 105.1 | -37.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 467 | I | 32.7 | Very low | 32.4 | Very low | 184 Ų | 184 | 119.5 Ų | 119.5 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | | | trans | -152.7 | 142.2 | 162.3 | -48.1 | 175.8 | 0 | 0 | 0 | 106.6 | | |
| 468 | G | 28.6 | Very low | 32.5 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | cis | 163.1 | 146.9 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 469 | G | 28.1 | Very low | 32.3 | Very low | 76 Ų | 76 | 124.2 Ų | 124.2 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | 110.7 | 95 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 470 | S | 32.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | | 86.5 | 118.4 | 67.9 | -169 | 0 | 0 | 0 | 0 | 112.3 | | |
| 471 | G | 31.1 | Very low | 32.3 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 169.4 | 65.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 472 | S | 36.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | -69.8 | 136.7 | -173.7 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 473 | N | 38.5 | Very low | 32.2 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | | -170.6 | 151.6 | 116.2 | -92.5 | -32.3 | 0 | 0 | 0 | 112.7 | | |
| 474 | S | 31.9 | Very low | 32.2 | Very low | 89 Ų | 89 | 131.7 Ų | 131.7 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | | | trans | -95.9 | 142.9 | -172.1 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 475 | I | 34.4 | Very low | 32.1 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | | | | -138.1 | 144.5 | 126.4 | -63.3 | -167.8 | 0 | 0 | 0 | 107.7 | | |
| 476 | I | 32.7 | Very low | 31.9 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -120.3 | 147.3 | -172.3 | -80.2 | 173.4 | 0 | 0 | 0 | 111.6 | | |
| 477 | S | 28.2 | Very low | 31.9 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 60.7 | 119.1 | 161.9 | -70.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 478 | T | 32.2 | Very low | 32 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | | -155.3 | 131.1 | 102.7 | 1.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 479 | I | 33.2 | Very low | 32.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -128 | 120.3 | 167 | -63.2 | 173.7 | 0 | 0 | 0 | 107 | | |
| 480 | I | 37.1 | Very low | 32.1 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -138.8 | 131.3 | 160.7 | -61.5 | -175.2 | 0 | 0 | 0 | 107.6 | | |
| 481 | N | 31.2 | Very low | 32.1 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -76.5 | 156.3 | 178.6 | -65.1 | -66.1 | 0 | 0 | 0 | 111.9 | | |
| 482 | R | 32.1 | Very low | 32.1 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -150.7 | 151.4 | 147 | -142.3 | 167.1 | -178.4 | 161.3 | 0.6 | 112.9 | | |
| 483 | D | 29.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | -68 | 152.2 | -168 | -47.3 | -85.8 | 0 | 0 | 0 | 112.3 | | |
| 484 | V | 30.4 | Very low | 31.7 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | cis | 63.8 | 74.9 | 47 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 485 | S | 29.1 | Very low | 31.9 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -177.4 | 113.7 | 140.2 | -85.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 486 | S | 27.1 | Very low | 32.4 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -171.2 | 145.6 | 137.7 | -167.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 487 | I | 33.3 | Very low | 33.3 | Very low | 152 Ų | 152 | 130.9 Ų | 130.9 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -142.8 | 160.8 | -169 | -51.5 | 179.8 | 0 | 0 | 0 | 109.3 | | |
| 488 | M | 32.9 | Very low | 33.9 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | | | trans | 79.5 | 148 | 176.3 | -44.2 | -177 | 65.7 | 0 | 0 | 113.8 | | |
| 489 | S | 32.8 | Very low | 35 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | cis | -138.4 | 169.8 | 11.1 | -70.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 490 | G | 28 | Very low | 36.2 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | | | trans | 126 | 122.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 491 | A | 31.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | trans | -149.1 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 492 | G | 31 | Very low | 38.3 | Very low | 76 Ų | 76 | 122.2 Ų | 122.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 125.3 | 127.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 493 | G | 30.7 | Very low | 39.7 | Very low | 82 Ų | 82 | 114.1 Ų | 114.1 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | cis | 106.4 | 123.1 | 30.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 494 | C | 34.7 | Very low | 41.1 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | | | cis | -137.9 | 174.4 | 6 | 42.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 495 | D | 37.2 | Very low | 42.3 | Very low | 152 Ų | 152 | 110 Ų | 110 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -108.7 | 147.1 | 176.6 | 48.8 | -65.6 | 0 | 0 | 0 | 112.3 | | |
| 496 | D | 44.7 | Very low | 43.8 | Very low | 161 Ų | 161 | 107.1 Ų | 107.1 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | | | trans | -132 | 125.6 | 167.7 | -109.6 | -50.5 | 0 | 0 | 0 | 108.4 | S498 | D496-S498 PolarHBondContact O-N 3.4Š|
| 497 | G | 51.3 | Low | 45.4 | Very low | 73 Ų | 73 | 107.3 Ų | 107.3 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | | | trans | -101.4 | 76.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S499 | G497-S499 PolarHBondContact O-N 3.22Š|
| 498 | S | 42.4 | Very low | 46.4 | Very low | 100 Ų | 100 | 102.7 Ų | 102.7 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | | | trans | -84.6 | 104.1 | 171.9 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | D496 | D496-S498 PolarHBondContact O-N 3.4Š|
| 499 | S | 54.1 | Low | 47.3 | Very low | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | | | trans | -64.7 | 133.9 | 175.9 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | G497 L501 I502 | G497-S499 PolarHBondContact O-N 3.22Å; S499-L501 PolarHBondContact O-N 3.3Å; S499-L501 VanDerWaalsContact O-N 3.1Å; S499-I502 WeakPolarHBondContact O-CB 3.43Å; S499-I502 PolarHBondContact O-N 3.12Å |
| 500 | P | 58.2 | Low | 48.4 | Very low | 112 Ų | 112 | 95 Ų | 95 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.2 | -22.2 | -171.8 | 24.6 | -34.6 | 0 | 0 | 0 | 114.4 | I502 A504 | P500-I502 VanDerWaalsContact C-N 3.32Å; P500-A504 PolarHBondContact O-N 3.42Å; P500-A504 VanDerWaalsContact O-N 3.13Å |
| 501 | L | 56.2 | Low | 49.5 | Very low | 128 Ų | 128 | 94.2 Ų | 94.2 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.5 | -37 | 171.3 | -104.7 | 162.8 | 0 | 0 | 0 | 112.6 | S499 A504 L505 | S499-L501 PolarHBondContact O-N 3.3Å; S499-L501 VanDerWaalsContact O-N 3.1Å; L501-A504 PolarHBondContact O-N 3.02Å; L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L505 VanDerWaalsContact O-N 3.08Å |
| 502 | I | 56.5 | Low | 50.7 | Low | 106 Ų | 106 | 93.7 Ų | 93.7 | 54% | 0.544 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.4 | -44.3 | -179.6 | -58 | 173.2 | 0 | 0 | 0 | 109.3 | S499 P500 A504 L505 S506 | S499-I502 WeakPolarHBondContact O-CB 3.43Å; S499-I502 PolarHBondContact O-N 3.12Å; P500-I502 VanDerWaalsContact C-N 3.32Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; I502-L505 PolarHBondContact O-N 3.07Å; I502-S506 PolarHBondContact O-N 2.99Å; I502-S506 PolarHBondContact O-OG 3.13Å |
| 503 | S | 61.5 | Low | 51.4 | Low | 70 Ų | 70 | 98 Ų | 98 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.6 | -40.7 | 175.6 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | S506 D507 | S503-S506 PolarHBondContact O-N 3.42Å; S503-D507 WeakPolarHBondContact O-CB 3.45Å; S503-D507 PolarHBondContact O-N 3.45Å |
| 504 | A | 59.4 | Low | 52.2 | Low | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.2 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P500 L501 I502 A508 | P500-A504 PolarHBondContact O-N 3.42Å; P500-A504 VanDerWaalsContact O-N 3.13Å; L501-A504 PolarHBondContact O-N 3.02Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; A504-A508 PolarHBondContact O-N 3.18Å; A504-A508 VanDerWaalsContact O-N 3.14Å |
| 505 | L | 54.8 | Low | 52.9 | Low | 118 Ų | 118 | 99.5 Ų | 99.5 | 62% | 0.618 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.5 | -36 | 175.5 | -69.8 | 170.3 | 0 | 0 | 0 | 112.2 | L501 I502 S509 | L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L505 VanDerWaalsContact O-N 3.08Å; I502-L505 PolarHBondContact O-N 3.07Å; L505-S509 WeakPolarHBondContact O-CB 3.45Å; L505-S509 PolarHBondContact O-N 3.13Å; L505-S509 PolarHBondContact O-OG 3.33Å |
| 506 | S | 62.2 | Low | 53.4 | Low | 61 Ų | 61 | 95.4 Ų | 95.4 | 43% | 0.427 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61 | -49 | 171 | -62 | 0 | 0 | 0 | 0 | 111.5 | I502 S503 A508 S509 S510 | I502-S506 PolarHBondContact O-N 2.99Å; I502-S506 PolarHBondContact O-OG 3.13Å; S503-S506 PolarHBondContact O-N 3.42Å; S506-A508 VanDerWaalsContact C-N 3.35Å; S506-A508 PolarHBondContact O-N 3.14Å; S506-S509 WeakPolarHBondContact CA-OG 3.38Å; S506-S509 PolarHBondContact O-N 3.26Å; S506-S509 VanDerWaalsContact O-N 3.13Å; S506-S509 PolarHBondContact O-OG 3.08Å; S506-S510 PolarHBondContact O-N 2.99Å; S506-S510 PolarHBondContact O-OG 2.84Å |
| 507 | D | 59.3 | Low | 53.6 | Low | 126 Ų | 126 | 91.9 Ų | 91.9 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.6 | -45.5 | 179.8 | -156.2 | 56.3 | 0 | 0 | 0 | 111.9 | S503 S510 A511 | S503-D507 WeakPolarHBondContact O-CB 3.45Å; S503-D507 PolarHBondContact O-N 3.45Å; D507-S510 PolarHBondContact O-N 2.78Å; D507-A511 PolarHBondContact O-N 3.48Å; D507-A511 VanDerWaalsContact O-N 3.08Å |
| 508 | A | 54.4 | Low | 53.5 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A504 S506 A511 V512 | A504-A508 PolarHBondContact O-N 3.18Å; A504-A508 VanDerWaalsContact O-N 3.14Å; S506-A508 VanDerWaalsContact C-N 3.35Å; S506-A508 PolarHBondContact O-N 3.14Å; A508-A511 PolarHBondContact O-N 3.4Å; A508-V512 PolarHBondContact O-N 2.72Å |
| 509 | S | 53.3 | Low | 53.7 | Low | 71 Ų | 71 | 96.6 Ų | 96.6 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.7 | -37.1 | 177.6 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | L505 S506 Y513 | L505-S509 WeakPolarHBondContact O-CB 3.45Å; L505-S509 PolarHBondContact O-N 3.13Å; L505-S509 PolarHBondContact O-OG 3.33Å; S506-S509 WeakPolarHBondContact CA-OG 3.38Å; S506-S509 PolarHBondContact O-N 3.26Å; S506-S509 VanDerWaalsContact O-N 3.13Å; S506-S509 PolarHBondContact O-OG 3.08Å; S509-Y513 PolarHBondContact O-N 2.8Å; S509-Y513 VanDerWaalsContact O-N 3.12Å |
| 510 | S | 54.5 | Low | 53.1 | Low | 59 Ų | 59 | 100.6 Ų | 100.6 | 41% | 0.413 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 174.1 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | S506 D507 V512 Y513 Y514 | S506-S510 PolarHBondContact O-N 2.99Å; S506-S510 PolarHBondContact O-OG 2.84Å; D507-S510 PolarHBondContact O-N 2.78Å; S510-V512 VanDerWaalsContact C-N 3.35Å; S510-V512 PolarHBondContact O-N 3.1Å; S510-Y513 PolarHBondContact O-N 2.95Å; S510-Y514 WeakPolarHBondContact O-CD2 3.41Å; S510-Y514 PolarHBondContact O-N 2.88Å |
| 511 | A | 52.5 | Low | 52.8 | Low | 63 Ų | 63 | 100.1 Ų | 100.1 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.8 | -42.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D507 A508 S515 | D507-A511 PolarHBondContact O-N 3.48Å; D507-A511 VanDerWaalsContact O-N 3.08Å; A508-A511 PolarHBondContact O-N 3.4Å; A511-S515 PolarHBondContact O-N 3.14Å; A511-S515 VanDerWaalsContact O-N 3.15Å |
| 512 | V | 56.4 | Low | 52.6 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 62% | 0.618 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65 | -44.5 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | A508 S510 Y514 S515 A516 | A508-V512 PolarHBondContact O-N 2.72Å; S510-V512 VanDerWaalsContact C-N 3.35Å; S510-V512 PolarHBondContact O-N 3.1Å; V512-Y514 PolarHBondContact O-N 2.71Å; V512-S515 PolarHBondContact O-N 2.87Å; V512-S515 VanDerWaalsContact O-N 3.16Å; V512-S515 PolarHBondContact O-OG 3.26Å; V512-A516 PolarHBondContact O-N 2.93Å |
| 513 | Y | 45.1 | Very low | 52.4 | Low | 167 Ų | 167 | 98.2 Ų | 98.2 | 66% | 0.655 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -59.3 | -44.5 | 178.8 | -165.4 | -99.7 | 0 | 0 | 0 | 112.6 | S509 S510 S515 A516 C517 | S509-Y513 PolarHBondContact O-N 2.8Å; S509-Y513 VanDerWaalsContact O-N 3.12Å; S510-Y513 PolarHBondContact O-N 2.95Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; Y513-S515 PolarHBondContact O-N 2.96Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y513-C517 PolarHBondContact O-SG 3.48Å |
| 514 | Y | 47.9 | Very low | 51.9 | Low | 164 Ų | 164 | 99.8 Ų | 99.8 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.2 | -29.8 | 176.6 | -75.1 | -63.3 | 0 | 0 | 0 | 113.8 | S510 V512 A516 C517 | S510-Y514 WeakPolarHBondContact O-CD2 3.41Å; S510-Y514 PolarHBondContact O-N 2.88Å; V512-Y514 PolarHBondContact O-N 2.71Å; Y514-A516 VanDerWaalsContact C-N 3.34Å; Y514-C517 PolarHBondContact O-N 2.89Å |
| 515 | S | 48.5 | Very low | 51.4 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 51% | 0.51 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.1 | -34.2 | 174.8 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | A511 V512 Y513 C517 | A511-S515 PolarHBondContact O-N 3.14Å; A511-S515 VanDerWaalsContact O-N 3.15Å; V512-S515 PolarHBondContact O-N 2.87Å; V512-S515 VanDerWaalsContact O-N 3.16Å; V512-S515 PolarHBondContact O-OG 3.26Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; Y513-S515 PolarHBondContact O-N 2.96Å; S515-C517 VanDerWaalsContact C-N 3.32Å; S515-C517 PolarHBondContact O-N 3.49Å |
| 516 | A | 47.8 | Very low | 51.2 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.2 | -25.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V512 Y513 Y514 I518 | V512-A516 PolarHBondContact O-N 2.93Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y514-A516 VanDerWaalsContact C-N 3.34Å; A516-I518 VanDerWaalsContact C-N 3.3Å; A516-I518 PolarHBondContact O-N 3.41Å |
| 517 | C | 49.4 | Very low | 50.4 | Low | 88 Ų | 88 | 104.1 Ų | 104.1 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 2.5 | -178.9 | -62.4 | 0 | 0 | 0 | 0 | 114.8 | Y513 Y514 S515 | Y513-C517 PolarHBondContact O-SG 3.48Å; Y514-C517 PolarHBondContact O-N 2.89Å; S515-C517 VanDerWaalsContact C-N 3.32Å; S515-C517 PolarHBondContact O-N 3.49Å |
| 518 | I | 49.7 | Very low | 49.7 | Very low | 145 Ų | 145 | 102.4 Ų | 102.4 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -12.9 | -179.4 | -65.2 | 173.8 | 0 | 0 | 0 | 111.9 | A516 | A516-I518 VanDerWaalsContact C-N 3.3Å; A516-I518 PolarHBondContact O-N 3.41Å |
| 519 | T | 45.6 | Very low | 49.3 | Very low | 127 Ų | 127 | 106.3 Ų | 106.3 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | | | trans | -122.4 | 80.6 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 520 | G | 41.3 | Very low | 49 | Very low | 151 Ų | 151 | 109.5 Ų | 109.5 | 100% | 1.557 | 69% | 0.689 | S | S | * | * | | | trans | -157.6 | 0 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | | |