| 1 | V | 39.2 | Very low | 41 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 100% | 1.091 | 83% | 0.827 | S | S | * | * | | | | 0 | 122.2 | 0 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 2 | R | 37.7 | Very low | 40.3 | Very low | 231 Ų | 231 | 146.6 Ų | 146.6 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | | | cis | -154 | 157.3 | 4.3 | -156.8 | 177 | -67.3 | -157.8 | -1.6 | 108.1 | | |
| 3 | A | 45.9 | Very low | 40 | Very low | 93 Ų | 93 | 149.2 Ų | 149.2 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | | | trans | 64.3 | 129.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 4 | A | 45.6 | Very low | 39.4 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | | | cis | 62.2 | 135.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 5 | R | 46.3 | Very low | 39.3 | Very low | 214 Ų | 214 | 150.2 Ų | 150.2 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | | | cis | -143.3 | 179.9 | 0.9 | -98.3 | 161.2 | 176.3 | 162.6 | -5.2 | 106.4 | | |
| 6 | E | 43.7 | Very low | 39.7 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | cis | -156.8 | 146.8 | 48.4 | -74.4 | 174.8 | 155.1 | 0 | 0 | 108 | | |
| 7 | Q | 43.2 | Very low | 39.7 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | | 55.5 | 128.9 | 72.6 | -54.6 | -173.2 | -99.9 | 0 | 0 | 112 | | |
| 8 | I | 42 | Very low | 39.7 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 80% | 0.8 | 82% | 0.818 | S | S | * | * | | | cis | -142.1 | 142.6 | 31.2 | 45.3 | 174.1 | 0 | 0 | 0 | 110.3 | | |
| 9 | N | 32.4 | Very low | 40 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | | | | 82.8 | 98.1 | 53.2 | -161.4 | 36.8 | 0 | 0 | 0 | 114.6 | | |
| 10 | I | 38.7 | Very low | 39.6 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -153 | 149.5 | 161.7 | -108.1 | 167.7 | 0 | 0 | 0 | 108.8 | | |
| 11 | G | 35.9 | Very low | 39.4 | Very low | 77 Ų | 77 | 148 Ų | 148 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | trans | 174.5 | 172.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 12 | G | 33.6 | Very low | 38.9 | Very low | 68 Ų | 68 | 148.1 Ų | 148.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | 147.3 | 119 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 13 | L | 36.2 | Very low | 38.4 | Very low | 180 Ų | 180 | 141 Ų | 141 | 94% | 0.942 | 80% | 0.797 | S | S | * | * | | | trans | 64 | 152.3 | 137.7 | -54.5 | 176.9 | 0 | 0 | 0 | 119.2 | | |
| 14 | A | 30.9 | Very low | 38.9 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | cis | -163.2 | 163.8 | -20.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 15 | Y | 38.2 | Very low | 38.5 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | | | trans | -88.7 | 146.5 | 173.3 | -84.5 | -96.8 | 0 | 0 | 0 | 112.8 | | |
| 16 | P | 45.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -91.2 | 164.9 | 159.3 | 35.6 | -31.5 | 0 | 0 | 0 | 112.9 | | |
| 17 | P | 40.2 | Very low | 37.7 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | trans | -115.6 | 175.3 | -157.9 | 42.2 | -34.1 | 0 | 0 | 0 | 116.9 | | |
| 18 | L | 39.4 | Very low | 37.5 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 153.6 | 164.6 | -70 | 171.4 | 0 | 0 | 0 | 112.3 | | |
| 19 | P | 45.3 | Very low | 37 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 152.4 | 158.6 | -7.2 | 26.8 | 0 | 0 | 0 | 114.3 | | |
| 20 | L | 32.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 133 Ų | 133 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 173.1 | 169.3 | -80 | 166.3 | 0 | 0 | 0 | 108.3 | | |
| 21 | H | 35.9 | Very low | 36.3 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | cis | -172.8 | -168.4 | -11.6 | 168.4 | 74.8 | 0 | 0 | 0 | 107.1 | | |
| 22 | E | 28 | Very low | 36 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | 127.8 | 164.9 | 154 | -149.7 | 151.3 | 133.8 | 0 | 0 | 115.7 | | |
| 23 | A | 27.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | -138 | -160.2 | -140.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 24 | P | 56.5 | Low | 36.8 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | trans | -123.9 | -177.2 | -136.7 | 42.5 | -24.5 | 0 | 0 | 0 | 116.8 | | |
| 25 | P | 36.8 | Very low | 36.6 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -137.6 | 177.9 | 132 | 34.5 | -19.5 | 0 | 0 | 0 | 115.7 | | |
| 26 | R | 29.2 | Very low | 36.5 | Very low | 196 Ų | 196 | 132.4 Ų | 132.4 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | trans | -99 | -158.6 | -173.2 | -55.7 | 177.7 | -179 | 110.5 | -5.8 | 112.4 | | |
| 27 | P | 42.8 | Very low | 35.7 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | | -121.2 | -136.2 | -88.8 | 42.7 | -23.6 | 0 | 0 | 0 | 110.3 | | |
| 28 | P | 40.5 | Very low | 35.2 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | | | cis | -131.1 | -175.2 | -33.1 | 40.3 | -24.2 | 0 | 0 | 0 | 114.8 | | |
| 29 | S | 30.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | trans | 73.7 | 150.5 | 153.2 | -148.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 30 | G | 29.6 | Very low | 33.9 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | cis | 165.7 | 168.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 31 | Y | 27.7 | Very low | 33.8 | Very low | 222 Ų | 222 | 128.9 Ų | 128.9 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | | | trans | 57.9 | 112.4 | 158.2 | -112.7 | -108.9 | 0 | 0 | 0 | 123.2 | | |
| 32 | S | 29.3 | Very low | 33.5 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | | | | 38.1 | 128.9 | 128.6 | -45.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 33 | Q | 31.3 | Very low | 33.6 | Very low | 174 Ų | 174 | 122.3 Ų | 122.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | | 170.6 | 160.9 | 108.3 | -85.3 | -55.7 | -42.2 | 0 | 0 | 111.7 | | |
| 34 | P | 54 | Low | 33.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -113.5 | 169 | 179.7 | 41.3 | -30.9 | 0 | 0 | 0 | 114.4 | | |
| 35 | A | 26.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -167.5 | 154.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 36 | S | 36.9 | Very low | 32 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -96 | 155.3 | 171.2 | -51.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 37 | V | 29.2 | Very low | 32.8 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -138 | 154.8 | 161.1 | -174 | 0 | 0 | 0 | 0 | 109.6 | | |
| 38 | C | 29.1 | Very low | 32.5 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -107.5 | 176.2 | -164.3 | -57.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 39 | S | 28.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -35.2 | 157.3 | 173.8 | -38.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 40 | S | 27.8 | Very low | 33 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -161.9 | 170.8 | 141.6 | -85.1 | 0 | 0 | 0 | 0 | 112 | | |
| 41 | S | 31.3 | Very low | 33.1 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | -141.9 | 161.6 | -168.8 | -54.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 42 | A | 29.9 | Very low | 33.3 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | 85 | 135.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 43 | S | 30.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | 75 | 103.6 | 137.2 | -61.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 44 | F | 29.2 | Very low | 33.9 | Very low | 184 Ų | 184 | 121.1 Ų | 121.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | | 76.9 | 148.7 | 111.7 | -159.2 | -119.4 | 0 | 0 | 0 | 123.5 | | |
| 45 | N | 29.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | | | trans | 65 | 150.5 | -176.9 | -68.4 | -42.3 | 0 | 0 | 0 | 116.4 | | |
| 46 | G | 28.4 | Very low | 33.4 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | cis | 138 | 160.8 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 47 | P | 45.3 | Very low | 34.9 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | cis | -128.7 | -169.3 | -1.4 | 43.9 | -27.3 | 0 | 0 | 0 | 114.8 | | |
| 48 | F | 38 | Very low | 34.8 | Very low | 207 Ų | 207 | 125.9 Ų | 125.9 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | | | trans | -136.5 | 153.2 | 174.4 | -83.7 | -80.8 | 0 | 0 | 0 | 113.5 | | |
| 49 | P | 47.6 | Very low | 35 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | trans | -127.9 | 154.4 | 140.7 | 37.7 | -27.7 | 0 | 0 | 0 | 112 | | |
| 50 | G | 32.6 | Very low | 35.3 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | cis | 178.3 | 132.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 51 | G | 31.5 | Very low | 35.8 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 82.1 | 135.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 52 | V | 33.3 | Very low | 35.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | S | Bend | cis | -150.4 | 147 | -3.4 | -75 | 0 | 0 | 0 | 0 | 108 | | |
| 53 | V | 36.4 | Very low | 36.3 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | cis | -145.9 | 179.2 | -2.7 | 82 | 0 | 0 | 0 | 0 | 109.5 | | |
| 54 | S | 37.1 | Very low | 37 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -139.2 | 165.2 | 169.9 | -162 | 0 | 0 | 0 | 0 | 109.4 | | |
| 55 | P | 37.8 | Very low | 37.5 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -137 | 161 | 88.2 | 38.7 | -27.3 | 0 | 0 | 0 | 115.2 | | |
| 56 | Q | 32 | Very low | 38.4 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -99.3 | -162.3 | 167.9 | -140.4 | -149.3 | -13.3 | 0 | 0 | 109.6 | | |
| 57 | P | 67.2 | Low | 39.2 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 57% | 0.565 | 78% | 0.778 | S | S | * | * | | | trans | -122.6 | 162.1 | -131.1 | 39.5 | -20.2 | 0 | 0 | 0 | 116 | | |
| 58 | H | 29 | Very low | 39.6 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 89% | 0.889 | 78% | 0.781 | S | S | * | * | | | trans | -149.3 | 161.2 | 165.2 | -67.9 | -70.6 | 0 | 0 | 0 | 109.2 | | |
| 59 | S | 32.5 | Very low | 40.1 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | cis | -177 | 157.4 | -27.3 | -176.8 | 0 | 0 | 0 | 0 | 107 | | |
| 60 | S | 34.8 | Very low | 39.9 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | | | trans | 29.5 | 124.4 | 146.7 | 60.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 61 | Y | 38.3 | Very low | 40.6 | Very low | 227 Ų | 227 | 131.8 Ų | 131.8 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | 55 | 114 | 137.2 | -75.9 | -101 | 0 | 0 | 0 | 120.2 | | |
| 62 | Y | 32.8 | Very low | 41.5 | Very low | 226 Ų | 226 | 135.9 Ų | 135.9 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | | | | -146.6 | 141.9 | 129.2 | -159 | -113.2 | 0 | 0 | 0 | 112.5 | | |
| 63 | S | 38.9 | Very low | 42.3 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -59.5 | 155.1 | 169.9 | -53 | 0 | 0 | 0 | 0 | 110.9 | | |
| 64 | G | 43.9 | Very low | 42.6 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | cis | 100.8 | 96.8 | 27.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 65 | L | 39.6 | Very low | 43.1 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -138.2 | 102.9 | 174.3 | -82.1 | 178.7 | 0 | 0 | 0 | 111.7 | | |
| 66 | S | 48.5 | Very low | 43.5 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | 32.4 | 109.4 | 146.2 | 58.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 67 | G | 46.1 | Very low | 43.8 | Very low | 65 Ų | 65 | 147.5 Ų | 147.5 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | -145.8 | 130.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q69 | G67-Q69 PolarHBondContact O-N 3.3Š|
| 68 | P | 54.4 | Low | 42.5 | Very low | 137 Ų | 137 | 153 Ų | 153 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -87.9 | 97.4 | -168.6 | 32.7 | -33.7 | 0 | 0 | 0 | 112.3 | | |
| 69 | Q | 48.4 | Very low | 42.9 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | -133 | 140.3 | 176.9 | -67.7 | -168.6 | -5.8 | 0 | 0 | 114.5 | G67 | G67-Q69 PolarHBondContact O-N 3.3Š|
| 70 | H | 42.4 | Very low | 43.2 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -39.2 | 143.3 | -169.3 | -108.6 | -133.3 | 0 | 0 | 0 | 118.8 | F72 | H70-F72 AromaticContact ND1-CD2 3.5Å; H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.07Å |
| 71 | P | 47.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -3.9 | 171.7 | -22.2 | 33.8 | 0 | 0 | 0 | 116.9 | | |
| 72 | F | 50 | Low | 43.1 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -6.8 | -158.8 | -81.1 | -86.6 | 0 | 0 | 0 | 116.3 | H70 | H70-F72 AromaticContact ND1-CD2 3.5Å; H70-F72 PolarHBondContact O-N 3.36Å; H70-F72 VanDerWaalsContact O-N 3.07Å |
| 73 | Y | 50.7 | Low | 43.1 | Very low | 201 Ų | 201 | 153.1 Ų | 153.1 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -129.7 | 68.5 | -176.5 | -64.1 | -71.7 | 0 | 0 | 0 | 113 | | |
| 74 | N | 42.1 | Very low | 43.1 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -172.8 | 90.8 | 147.4 | -103.7 | -47.6 | 0 | 0 | 0 | 112.6 | | |
| 75 | R | 48.5 | Very low | 42.8 | Very low | 236 Ų | 236 | 156.2 Ų | 156.2 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -155.8 | 133 | 153.5 | -144.9 | 164.9 | -171 | 156.8 | 3.5 | 111.2 | | |
| 76 | P | 44.9 | Very low | 42.6 | Very low | 109 Ų | 109 | 158.8 Ų | 158.8 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | trans | -69.9 | 150.7 | 176.2 | 28.9 | -35.2 | 0 | 0 | 0 | 111.7 | F78 | P76-F78 PolarHBondContact O-N 3.07Š|
| 77 | F | 38.8 | Very low | 41.8 | Very low | 205 Ų | 205 | 163.7 Ų | 163.7 | 90% | 0.899 | 81% | 0.808 | S | S | * | * | | | trans | -68.5 | 123.1 | -179.6 | -76.8 | -99.2 | 0 | 0 | 0 | 112.1 | | |
| 78 | F | 41.3 | Very low | 41.1 | Very low | 202 Ų | 202 | 170.2 Ų | 170.2 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | -138.3 | 157.9 | 157.2 | -87.8 | -80.2 | 0 | 0 | 0 | 109.2 | P76 | P76-F78 PolarHBondContact O-N 3.07Š|
| 79 | A | 37 | Very low | 40.6 | Very low | 81 Ų | 81 | 169.9 Ų | 169.9 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147.8 | -156.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 80 | P | 39 | Very low | 39.8 | Very low | 127 Ų | 127 | 164.6 Ų | 164.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.2 | 174.8 | 30.9 | -34.1 | 0 | 0 | 0 | 111.8 | | |
| 81 | Y | 36.4 | Very low | 39.3 | Very low | 229 Ų | 229 | 161.5 Ų | 161.5 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 149.4 | 165.9 | -79.9 | -104.9 | 0 | 0 | 0 | 110.6 | Y83 | Y81-Y83 PolarHBondContact O-N 3.47Š|
| 82 | L | 34.5 | Very low | 38.5 | Very low | 177 Ų | 177 | 160.8 Ų | 160.8 | 93% | 0.927 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130 | 176 | -68.2 | 166.7 | 0 | 0 | 0 | 111.3 | | |
| 83 | Y | 32.1 | Very low | 37.9 | Very low | 211 Ų | 211 | 160 Ų | 160 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | | | trans | -112.1 | 117.3 | 171.9 | -170.7 | -87.8 | 0 | 0 | 0 | 109.4 | Y81 P85 | Y81-Y83 PolarHBondContact O-N 3.47Å; Y83-P85 WeakPolarHBondContact O-CD 3.45Å |
| 84 | T | 38.9 | Very low | 37.1 | Very low | 123 Ų | 123 | 159.9 Ų | 159.9 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 117.4 | -177.6 | 45.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 85 | P | 38.6 | Very low | 36.6 | Very low | 103 Ų | 103 | 159 Ų | 159 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 139.4 | 175.9 | -19.6 | 33.8 | 0 | 0 | 0 | 112.3 | Y83 Y87 | Y83-P85 WeakPolarHBondContact O-CD 3.45Å; P85-Y87 PolarHBondContact O-N 3.43Å |
| 86 | R | 34.1 | Very low | 35.9 | Very low | 223 Ų | 223 | 155.8 Ų | 155.8 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 121.4 | 169.9 | -84.4 | -74.4 | -162.5 | 103.8 | 1.2 | 110.4 | | |
| 87 | Y | 32.3 | Very low | 35.1 | Very low | 221 Ų | 221 | 156.2 Ų | 156.2 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 137.2 | 162.8 | -92 | -99 | 0 | 0 | 0 | 111.2 | P85 | P85-Y87 PolarHBondContact O-N 3.43Š|
| 88 | Y | 31 | Very low | 34.9 | Very low | 201 Ų | 201 | 157.8 Ų | 157.8 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | | | trans | -120 | 135.5 | 160.7 | -106 | -83 | 0 | 0 | 0 | 107.7 | | |
| 89 | P | 44 | Very low | 34.2 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | | | trans | -89.3 | 120.4 | -177.4 | 32.5 | -32.3 | 0 | 0 | 0 | 112.5 | | |
| 90 | G | 32 | Very low | 33.9 | Very low | 84 Ų | 84 | 155 Ų | 155 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | 161.4 | 119 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 91 | G | 31.9 | Very low | 33.7 | Very low | 80 Ų | 80 | 155 Ų | 155 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 173.1 | 78.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 92 | S | 30.9 | Very low | 33.3 | Very low | 108 Ų | 108 | 153.3 Ų | 153.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -14.8 | 131.4 | 164.1 | -173.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 93 | Q | 37.1 | Very low | 33.1 | Very low | 144 Ų | 144 | 151 Ų | 151 | 67% | 0.673 | 81% | 0.807 | S | S | * | * | | | trans | 38.3 | 113.1 | 134.2 | -52.8 | -88.9 | 14.6 | 0 | 0 | 119.1 | | |
| 94 | H | 33.2 | Very low | 32.9 | Very low | 198 Ų | 198 | 146.2 Ų | 146.2 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | | | trans | -145.4 | 138.1 | 131.4 | -101.9 | -80.5 | 0 | 0 | 0 | 109.4 | | |
| 95 | L | 33.3 | Very low | 32.8 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -97.5 | 136.7 | -170.3 | -63.3 | 169.7 | 0 | 0 | 0 | 111.3 | | |
| 96 | I | 32.7 | Very low | 32.6 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 86% | 0.862 | 81% | 0.814 | S | S | * | * | | | trans | -114 | 121.8 | 162.5 | -65.7 | 177.1 | 0 | 0 | 0 | 107.8 | R98 | I96-R98 PolarHBondContact O-N 3.46Š|
| 97 | S | 27.8 | Very low | 32.6 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 118.7 | -169.8 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 98 | R | 34.2 | Very low | 32.4 | Very low | 238 Ų | 238 | 144.6 Ų | 144.6 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 128.2 | 159.3 | -72.1 | -171.9 | 172.7 | -144.4 | -2.9 | 109.2 | I96 S100 | I96-R98 PolarHBondContact O-N 3.46Å; R98-S100 PolarHBondContact O-N 3.33Å |
| 99 | S | 27.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 132.3 | 167.4 | -173.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 100 | S | 31.3 | Very low | 32 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -145.9 | 94.6 | -178.5 | 166.3 | 0 | 0 | 0 | 0 | 109.4 | R98 | R98-S100 PolarHBondContact O-N 3.33Š|
| 101 | V | 33.8 | Very low | 32.2 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -104.2 | 102.6 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 102 | K | 29 | Very low | 32 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -107.2 | 93.1 | 174.3 | 174.5 | -173.9 | 166.2 | -177.9 | 0 | 108.3 | | |
| 103 | T | 29.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 154 | 166.9 | 16 | 0 | 0 | 0 | 0 | 110.8 | | |
| 104 | S | 28.7 | Very low | 32.3 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 144.9 | -164.6 | 47.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 105 | L | 35.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 153.9 | 158.1 | -70.4 | 166.2 | 0 | 0 | 0 | 110.8 | | |
| 106 | P | 34.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | | -104.2 | 162.6 | 109.1 | 29.4 | -35 | 0 | 0 | 0 | 112.2 | | |
| 107 | R | 33.4 | Very low | 33.4 | Very low | 192 Ų | 192 | 139.2 Ų | 139.2 | 73% | 0.725 | 80% | 0.798 | S | S | * | * | | | trans | -112.4 | 127.1 | -176.8 | 154.3 | -172 | 161.2 | 176.6 | -3.7 | 108.1 | | |
| 108 | D | 28.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -150.3 | 164.3 | 148.5 | -107.9 | -43.8 | 0 | 0 | 0 | 111.4 | | |
| 109 | Q | 38.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 133 Ų | 133 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -126.4 | 123.6 | -161.4 | -60.6 | 174.4 | -4.5 | 0 | 0 | 112.5 | | |
| 110 | N | 28.7 | Very low | 35.3 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | | -167.7 | 150.7 | 130 | -116 | -76.9 | 0 | 0 | 0 | 115.8 | | |
| 111 | N | 34.9 | Very low | 36.2 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 0.2 | 121.2 | 163.4 | -61.7 | -16.8 | 0 | 0 | 0 | 120.7 | | |
| 112 | G | 27.8 | Very low | 37.7 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | -171 | 118.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A114 | G112-A114 PolarHBondContact O-N 3.4Å; G112-A114 VanDerWaalsContact O-N 3.16Å |
| 113 | L | 43 | Very low | 40.2 | Very low | 194 Ų | 194 | 124.6 Ų | 124.6 | 100% | 1.016 | 76% | 0.762 | S | S | * | * | | | trans | -76.8 | 98.9 | 179.7 | -82.9 | 160.4 | 0 | 0 | 0 | 110.8 | | |
| 114 | A | 32.3 | Very low | 43.1 | Very low | 90 Ų | 90 | 121.9 Ų | 121.9 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | | | trans | -128.2 | 129.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G112 V116 | G112-A114 PolarHBondContact O-N 3.4Å; G112-A114 VanDerWaalsContact O-N 3.16Å; A114-V116 PolarHBondContact O-N 3.5Å |
| 115 | S | 38 | Very low | 46.3 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 121.4 | -179.2 | -168.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 116 | V | 38.2 | Very low | 49.1 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.8 | 162.6 | -178.9 | 0 | 0 | 0 | 0 | 108 | A114 A118 | A114-V116 PolarHBondContact O-N 3.5Å; V116-A118 PolarHBondContact O-N 3.41Å |
| 117 | P | 45.7 | Very low | 51.9 | Low | 110 Ų | 110 | 108 Ų | 108 | 71% | 0.714 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 120.7 | 172.9 | 27.5 | -33.3 | 0 | 0 | 0 | 109.5 | T119 | P117-T119 PolarHBondContact O-N 3.38Å; P117-T119 VanDerWaalsContact O-N 3.08Å |
| 118 | A | 38.3 | Very low | 54.9 | Low | 81 Ų | 81 | 99.2 Ų | 99.2 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | | | trans | -70.3 | 104.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V116 | V116-A118 PolarHBondContact O-N 3.41Š|
| 119 | T | 44.9 | Very low | 58.1 | Low | 145 Ų | 145 | 94.9 Ų | 94.9 | 89% | 0.89 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 127.5 | 165.2 | 41.8 | 0 | 0 | 0 | 0 | 109.6 | P117 | P117-T119 PolarHBondContact O-N 3.38Å; P117-T119 VanDerWaalsContact O-N 3.08Å |
| 120 | G | 47 | Very low | 61 | Low | 76 Ų | 76 | 89.4 Ų | 89.4 | 78% | 0.784 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.6 | 1.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 121 | T | 48.7 | Very low | 64.3 | Low | 105 Ų | 105 | 86.6 Ų | 86.6 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | | | trans | -89.3 | 103.7 | 164.9 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | L123 | T121-L123 VanDerWaalsContact C-N 3.29Å; T121-L123 PolarHBondContact O-N 2.96Å |
| 122 | S | 65.9 | Low | 67.2 | Low | 106 Ų | 106 | 81.9 Ų | 81.9 | 74% | 0.741 | 54% | 0.543 | S | S | * | . | | | trans | -68.9 | 84.1 | 173.2 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | L124 | S122-L124 PolarHBondContact O-N 2.96Š|
| 123 | L | 82.4 | Confident | 70.5 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | | | trans | -60.7 | 122.2 | 174.6 | -73.6 | 170.5 | 0 | 0 | 0 | 110.3 | T121 L125 M128 I132 M194 | T121-L123 VanDerWaalsContact C-N 3.29Å; T121-L123 PolarHBondContact O-N 2.96Å; L123-L125 PolarHBondContact O-N 3.38Å; L123-M128 HydrophobicContact CB-CE 3.71Å; L123-I132 HydrophobicContact CD1-CG2 4.37Å; L123-M194 WeakPolarHBondContact O-CE 3.33Å |
| 124 | L | 90.3 | Very high | 73.1 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 38% | 0.377 | 46% | 0.459 | S | S | . | . | | | trans | -47.7 | 130.6 | 170.8 | -81.4 | 157.2 | 0 | 0 | 0 | 110.7 | S122 S126 S127 E198 V201 | S122-L124 PolarHBondContact O-N 2.96Å; L124-S126 VanDerWaalsContact C-N 3.33Å; L124-S126 PolarHBondContact O-N 2.82Å; L124-S127 WeakPolarHBondContact O-CB 3.38Å; L124-S127 PolarHBondContact O-N 2.75Å; L124-S127 PolarHBondContact O-OG 2.79Å; L124-E198 WeakPolarHBondContact CB-OE1 3.47Å; L124-E198 HydrophobicContact CD2-CB 4.21Å; L124-E198 HydrophobicContact CD2-CG 3.79Å; L124-E198 WeakPolarHBondContact CD2-OE1 3.42Å; L124-V201 HydrophobicContact CD1-CG1 4.49Å; L124-V201 HydrophobicContact CD2-CB 4.05Å; L124-V201 HydrophobicContact CD2-CG1 3.82Å; L124-V201 HydrophobicContact CG-CG1 4.41Å |
| 125 | L | 94.3 | Very high | 76.2 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.016 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -56.4 | -48.1 | -175.6 | 179.3 | 58.4 | 0 | 0 | 0 | 111 | L123 S127 M128 G162 L165 A166 M194 R195 E198 | L123-L125 PolarHBondContact O-N 3.38Å; L125-S127 PolarHBondContact O-N 2.94Å; L125-M128 HydrophobicContact CD1-SD 4.45Å; L125-M128 PolarHBondContact O-N 2.73Å; L125-G162 CarbonylContact O-C 3.58Å; L125-G162 WeakPolarHBondContact O-CA 3.47Å; L125-L165 HydrophobicContact CD1-CB 4Å; L125-L165 HydrophobicContact CD2-CB 4.37Å; L125-L165 HydrophobicContact CG-CB 4.39Å; L125-A166 HydrophobicContact CD2-CB 4.12Å; L125-A166 HydrophobicContact CG-CB 4.25Å; L125-M194 HydrophobicContact CB-CB 4.15Å; L125-M194 HydrophobicContact CB-CE 4.05Å; L125-M194 HydrophobicContact CD1-CB 4.05Å; L125-M194 HydrophobicContact CD1-CE 4.02Å; L125-M194 HydrophobicContact CD1-SD 4Å; L125-M194 HydrophobicContact CD2-CB 3.88Å; L125-M194 HydrophobicContact CG-CB 4.24Å; L125-R195 HydrophobicContact CD2-CG 3.7Å; L125-E198 HydrophobicContact CB-CB 4.43Å; L125-E198 WeakPolarHBondContact CB-OE2 3.41Å; L125-E198 PolarHBondContact N-OE1 2.78Å; L125-E198 VanDerWaalsContact N-OE1 3.16Å |
| 126 | S | 94.5 | Very high | 78.9 | Confident | 36 Ų | 36 | 66.9 Ų | 66.9 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -59.7 | -15 | 176 | 68.7 | 0 | 0 | 0 | 0 | 115.4 | L124 R163 E198 | L124-S126 VanDerWaalsContact C-N 3.33Å; L124-S126 PolarHBondContact O-N 2.82Å; S126-R163 WeakPolarHBondContact O-CG 3.18Å; S126-E198 WeakPolarHBondContact CB-OE1 3.39Å; S126-E198 WeakPolarHBondContact CB-OE2 3.38Å; S126-E198 VanDerWaalsContact N-CD 3.32Å; S126-E198 PolarHBondContact N-OE1 3.36Å; S126-E198 PolarHBondContact N-OE2 3.07Å; S126-E198 PolarHBondContact OG-OE1 3.36Å |
| 127 | S | 94.6 | Very high | 81.7 | Confident | 59 Ų | 59 | 61.1 Ų | 61.1 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -86.6 | -16 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 113.9 | L124 L125 | L124-S127 WeakPolarHBondContact O-CB 3.38Å; L124-S127 PolarHBondContact O-N 2.75Å; L124-S127 PolarHBondContact O-OG 2.79Å; L125-S127 PolarHBondContact O-N 2.94Å |
| 128 | M | 95.8 | Very high | 84.1 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | | | trans | -72.4 | 132.1 | -171.4 | -63.8 | -167.2 | 161.3 | 0 | 0 | 113.2 | L123 L125 I132 V133 K136 G162 M194 | L123-M128 HydrophobicContact CB-CE 3.71Å; L125-M128 HydrophobicContact CD1-SD 4.45Å; L125-M128 PolarHBondContact O-N 2.73Å; M128-I132 HydrophobicContact CB-CB 4.2Å; M128-I132 HydrophobicContact CB-CG2 4Å; M128-I132 HydrophobicContact CE-CG2 3.91Å; M128-I132 HydrophobicContact CG-CB 4.47Å; M128-I132 HydrophobicContact CG-CG2 3.73Å; M128-I132 HydrophobicContact SD-CG2 3.74Å; M128-V133 HydrophobicContact CB-CG2 3.99Å; M128-K136 HydrophobicContact CE-CG 3.9Å; M128-K136 HydrophobicContact SD-CG 4.05Å; M128-G162 WeakPolarHBondContact O-CA 3.38Å; M128-G162 PolarHBondContact O-N 3.4Å; M128-M194 HydrophobicContact CE-CE 3.3Å; M128-M194 HydrophobicContact CE-SD 4.06Å; M128-M194 HydrophobicContact SD-CE 3.75Å; M128-M194 HydrophobicContact SD-SD 4.13Å |
| 129 | T | 97.4 | Very high | 86.9 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | | | trans | -75.7 | 164.7 | 166.1 | 65 | 0 | 0 | 0 | 0 | 110.7 | D131 I132 V133 | T129-D131 PolarHBondContact O-N 3.08Å; T129-I132 HydrophobicContact CG2-CD1 4.48Å; T129-I132 PolarHBondContact O-N 2.79Å; T129-I132 VanDerWaalsContact O-N 3.09Å; T129-I132 WeakPolarHBondContact OG1-CG1 3.32Å; T129-I132 PolarHBondContact OG1-N 2.8Å; T129-V133 WeakPolarHBondContact O-CG2 3.33Å; T129-V133 PolarHBondContact O-N 3.16Å |
| 130 | V | 97.9 | Very high | 89.4 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.5 | -41.4 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | V133 C134 I155 K156 N159 N161 | V130-V133 WeakPolarHBondContact O-CB 3.45Å; V130-V133 PolarHBondContact O-N 3.29Å; V130-C134 PolarHBondContact O-N 3.37Å; V130-C134 PolarHBondContact O-SG 3.37Å; V130-C134 VanDerWaalsContact O-SG 3.38Å; V130-I155 HydrophobicContact CG1-CG2 3.8Å; V130-K156 HydrophobicContact CG1-CB 4.35Å; V130-K156 HydrophobicContact CG1-CG 3.7Å; V130-N159 WeakPolarHBondContact CG2-OD1 3.45Å; V130-N161 HydrophobicContact CG2-CB 3.88Å |
| 131 | D | 97.8 | Very high | 91.7 | Very high | 86 Ų | 86 | 62 Ų | 62 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 177.6 | -61.2 | -80.6 | 0 | 0 | 0 | 113.2 | T129 V133 C134 E135 K156 | T129-D131 PolarHBondContact O-N 3.08Å; D131-V133 VanDerWaalsContact C-N 3.31Å; D131-C134 WeakPolarHBondContact O-CB 3.14Å; D131-C134 PolarHBondContact O-N 3.3Å; D131-E135 PolarHBondContact O-N 2.86Å; D131-K156 WeakPolarHBondContact OD1-CE 3.44Å; D131-K156 IonicContact OD1-NZ 3.49Å; D131-K156 PolarHBondContact OD1-NZ 2.86Å |
| 132 | I | 96.8 | Very high | 93.9 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 174 | -63.6 | 168.9 | 0 | 0 | 0 | 110.4 | L123 M128 T129 C134 E135 K136 | L123-I132 HydrophobicContact CD1-CG2 4.37Å; M128-I132 HydrophobicContact CB-CB 4.2Å; M128-I132 HydrophobicContact CB-CG2 4Å; M128-I132 HydrophobicContact CE-CG2 3.91Å; M128-I132 HydrophobicContact CG-CB 4.47Å; M128-I132 HydrophobicContact CG-CG2 3.73Å; M128-I132 HydrophobicContact SD-CG2 3.74Å; T129-I132 HydrophobicContact CG2-CD1 4.48Å; T129-I132 PolarHBondContact O-N 2.79Å; T129-I132 VanDerWaalsContact O-N 3.09Å; T129-I132 WeakPolarHBondContact OG1-CG1 3.32Å; T129-I132 PolarHBondContact OG1-N 2.8Å; I132-C134 VanDerWaalsContact C-N 3.34Å; I132-E135 PolarHBondContact O-N 3.48Å; I132-K136 PolarHBondContact O-N 2.89Å |
| 133 | V | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 171.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | M128 T129 V130 D131 K136 L137 I155 L165 | M128-V133 HydrophobicContact CB-CG2 3.99Å; T129-V133 WeakPolarHBondContact O-CG2 3.33Å; T129-V133 PolarHBondContact O-N 3.16Å; V130-V133 WeakPolarHBondContact O-CB 3.45Å; V130-V133 PolarHBondContact O-N 3.29Å; D131-V133 VanDerWaalsContact C-N 3.31Å; V133-K136 PolarHBondContact O-N 3.45Å; V133-L137 PolarHBondContact O-N 3.01Å; V133-I155 HydrophobicContact CB-CG2 4.43Å; V133-I155 HydrophobicContact CG1-CD1 4.24Å; V133-I155 HydrophobicContact CG1-CG2 4Å; V133-L165 HydrophobicContact CB-CD1 4.38Å; V133-L165 HydrophobicContact CG1-CD1 3.48Å; V133-L165 VanDerWaalsContact CG1-CD1 3.48Å; V133-L165 HydrophobicContact CG2-CD1 3.89Å |
| 134 | C | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 172.3 | -66.2 | 0 | 0 | 0 | 0 | 113.3 | V130 D131 I132 L137 R138 | V130-C134 PolarHBondContact O-N 3.37Å; V130-C134 PolarHBondContact O-SG 3.37Å; V130-C134 VanDerWaalsContact O-SG 3.38Å; D131-C134 WeakPolarHBondContact O-CB 3.14Å; D131-C134 PolarHBondContact O-N 3.3Å; I132-C134 VanDerWaalsContact C-N 3.34Å; C134-L137 PolarHBondContact O-N 2.98Å; C134-R138 PolarHBondContact O-N 3.41Å; C134-R138 PolarHBondContact O-NH1 3.06Å |
| 135 | E | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | 171.9 | -71.1 | -52.8 | 149.8 | 0 | 0 | 112.1 | D131 I132 R138 Q139 | D131-E135 PolarHBondContact O-N 2.86Å; I132-E135 PolarHBondContact O-N 3.48Å; E135-R138 WeakPolarHBondContact O-CB 3.36Å; E135-R138 PolarHBondContact O-N 2.88Å; E135-R138 IonicContact OE1-CZ 3.1Å; E135-R138 IonicContact OE1-NE 3.47Å; E135-R138 PolarHBondContact OE1-NE 3.38Å; E135-R138 IonicContact OE1-NH2 3.33Å; E135-R138 PolarHBondContact OE1-NH2 3.17Å; E135-R138 IonicContact OE2-CZ 2.7Å; E135-R138 IonicContact OE2-NE 3.59Å; E135-R138 PolarHBondContact OE2-NE 2.91Å; E135-R138 IonicContact OE2-NH2 2.69Å; E135-R138 PolarHBondContact OE2-NH2 2.86Å; E135-Q139 WeakPolarHBondContact O-CG 3.27Å; E135-Q139 PolarHBondContact O-N 3.4Å |
| 136 | K | 95.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 30% | 0.3 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 173.9 | -76.8 | -53.2 | -168.5 | -179 | 0 | 112.7 | M128 I132 V133 R138 Q139 I140 M190 | M128-K136 HydrophobicContact CE-CG 3.9Å; M128-K136 HydrophobicContact SD-CG 4.05Å; I132-K136 PolarHBondContact O-N 2.89Å; V133-K136 PolarHBondContact O-N 3.45Å; K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.29Å; K136-Q139 PolarHBondContact O-N 2.92Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-M190 HydrophobicContact CB-CE 4.21Å; K136-M190 HydrophobicContact CB-SD 3.86Å |
| 137 | L | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 170.2 | -166.5 | 78.2 | 0 | 0 | 0 | 112.4 | V133 C134 Q139 I140 L143 L148 I155 M179 F187 | V133-L137 PolarHBondContact O-N 3.01Å; C134-L137 PolarHBondContact O-N 2.98Å; L137-Q139 PolarHBondContact O-N 3.4Å; L137-I140 HydrophobicContact CD1-CD1 4.11Å; L137-I140 PolarHBondContact O-N 2.86Å; L137-L143 HydrophobicContact CD1-CD1 3.7Å; L137-L143 HydrophobicContact CG-CD1 4.04Å; L137-L148 HydrophobicContact CD2-CG 4.32Å; L137-I155 HydrophobicContact CB-CD1 4.39Å; L137-I155 HydrophobicContact CD2-CD1 3.85Å; L137-I155 HydrophobicContact CG-CD1 4.49Å; L137-M179 HydrophobicContact CD1-CE 3.79Å; L137-F187 HydrophobicContact CD1-CB 4.44Å; L137-F187 HydrophobicContact CD1-CD2 3.47Å; L137-F187 VanDerWaalsContact CD1-CD2 3.47Å; L137-F187 HydrophobicContact CD1-CE2 3.97Å; L137-F187 HydrophobicContact CD1-CG 4.16Å |
| 138 | R | 96.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 60.6 Ų | 60.6 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -17.6 | 173.3 | -85.5 | -178.4 | -74.7 | -74.3 | 10.4 | 114.9 | C134 E135 K136 L148 C152 | C134-R138 PolarHBondContact O-N 3.41Å; C134-R138 PolarHBondContact O-NH1 3.06Å; E135-R138 WeakPolarHBondContact O-CB 3.36Å; E135-R138 PolarHBondContact O-N 2.88Å; E135-R138 IonicContact OE1-CZ 3.1Å; E135-R138 IonicContact OE1-NE 3.47Å; E135-R138 PolarHBondContact OE1-NE 3.38Å; E135-R138 IonicContact OE1-NH2 3.33Å; E135-R138 PolarHBondContact OE1-NH2 3.17Å; E135-R138 IonicContact OE2-CZ 2.7Å; E135-R138 IonicContact OE2-NE 3.59Å; E135-R138 PolarHBondContact OE2-NE 2.91Å; E135-R138 IonicContact OE2-NH2 2.69Å; E135-R138 PolarHBondContact OE2-NH2 2.86Å; K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.29Å; R138-L148 HydrophobicContact CB-CD1 4.42Å; R138-L148 HydrophobicContact CG-CD1 3.75Å; R138-L148 HydrophobicContact CG-CD2 3.77Å; R138-L148 HydrophobicContact CG-CG 4.38Å; R138-C152 PolarHBondContact NH1-SG 3.48Å |
| 139 | Q | 95.9 | Very high | 96.6 | Very high | 117 Ų | 117 | 63.9 Ų | 63.9 | 55% | 0.547 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 3.4 | 179.7 | -69.3 | 166.8 | 26.6 | 0 | 0 | 112.6 | E135 K136 L137 E141 | E135-Q139 WeakPolarHBondContact O-CG 3.27Å; E135-Q139 PolarHBondContact O-N 3.4Å; K136-Q139 PolarHBondContact O-N 2.92Å; L137-Q139 PolarHBondContact O-N 3.4Å; Q139-E141 PolarHBondContact O-N 2.88Å |
| 140 | I | 96.7 | Very high | 96.7 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | | | trans | -83.2 | 112.7 | 176.1 | -56.8 | -172 | 0 | 0 | 0 | 109.8 | K136 L137 L143 L186 F187 M190 | K136-I140 WeakPolarHBondContact O-CG1 3.45Å; L137-I140 HydrophobicContact CD1-CD1 4.11Å; L137-I140 PolarHBondContact O-N 2.86Å; I140-L143 HydrophobicContact CB-CB 4.27Å; I140-L143 HydrophobicContact CB-CD1 3.88Å; I140-L143 HydrophobicContact CD1-CD1 3.97Å; I140-L143 HydrophobicContact CG1-CD1 4.38Å; I140-L143 HydrophobicContact CG2-CB 4.13Å; I140-L143 HydrophobicContact CG2-CD1 4.01Å; I140-L186 HydrophobicContact CG2-CB 3.6Å; I140-L186 HydrophobicContact CG2-CD1 4.25Å; I140-L186 HydrophobicContact CG2-CG 4.43Å; I140-F187 HydrophobicContact CD1-CB 4.22Å; I140-F187 HydrophobicContact CD1-CD2 4.11Å; I140-M190 HydrophobicContact CD1-CB 4.1Å; I140-M190 HydrophobicContact CD1-CE 4.12Å; I140-M190 HydrophobicContact CD1-CG 4.49Å; I140-M190 HydrophobicContact CD1-SD 3.69Å; I140-M190 HydrophobicContact CG1-SD 3.78Å |
| 141 | E | 96 | Very high | 96.7 | Very high | 185 Ų | 185 | 64.6 Ų | 64.6 | 86% | 0.864 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 137.9 | 173.6 | -62.1 | -175.4 | 177.5 | 0 | 0 | 111.4 | Q139 | Q139-E141 PolarHBondContact O-N 2.88Š|
| 142 | G | 94.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 79% | 0.794 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 4.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 143 | L | 96.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | | | trans | -81 | 141 | 177.8 | -161.9 | 158.5 | 0 | 0 | 0 | 111.4 | L137 I140 Q145 L148 Y151 D183 L186 | L137-L143 HydrophobicContact CD1-CD1 3.7Å; L137-L143 HydrophobicContact CG-CD1 4.04Å; I140-L143 HydrophobicContact CB-CB 4.27Å; I140-L143 HydrophobicContact CB-CD1 3.88Å; I140-L143 HydrophobicContact CD1-CD1 3.97Å; I140-L143 HydrophobicContact CG1-CD1 4.38Å; I140-L143 HydrophobicContact CG2-CB 4.13Å; I140-L143 HydrophobicContact CG2-CD1 4.01Å; L143-Q145 PolarHBondContact O-N 3.14Å; L143-L148 HydrophobicContact CD2-CB 4.25Å; L143-L148 HydrophobicContact CD2-CD1 4.33Å; L143-Y151 HydrophobicContact CD2-CD2 3.95Å; L143-Y151 HydrophobicContact CD2-CE2 4.01Å; L143-D183 WeakPolarHBondContact CA-OD1 3.41Å; L143-D183 HydrophobicContact CG-CB 4.11Å; L143-D183 WeakPolarHBondContact CG-OD1 3.44Å; L143-L186 HydrophobicContact CB-CD1 4.35Å |
| 144 | D | 95.6 | Very high | 96.8 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | | | trans | -59.6 | 105 | 178.2 | -178.5 | -2.9 | 0 | 0 | 0 | 112.5 | G146 M147 L148 D183 | D144-G146 PolarHBondContact O-N 3.06Å; D144-G146 WeakPolarHBondContact OD1-CA 3.42Å; D144-G146 PolarHBondContact OD1-N 2.83Å; D144-M147 HydrophobicContact CB-CB 4.2Å; D144-M147 PolarHBondContact O-N 3.32Å; D144-M147 PolarHBondContact OD1-N 3.08Å; D144-M147 WeakPolarHBondContact OD2-CG 3.37Å; D144-L148 PolarHBondContact O-N 3.39Å; D144-D183 WeakPolarHBondContact CB-OD2 3.4Å; D144-D183 PolarHBondContact N-OD1 3.29Å |
| 145 | Q | 95.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.603 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.7 | -179.1 | -171.3 | 55 | 88 | 0 | 0 | 113.5 | L143 | L143-Q145 PolarHBondContact O-N 3.14Š|
| 146 | G | 96.7 | Very high | 96.9 | Very high | 63 Ų | 63 | 64 Ų | 64 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -34.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D144 P149 | D144-G146 PolarHBondContact O-N 3.06Å; D144-G146 WeakPolarHBondContact OD1-CA 3.42Å; D144-G146 PolarHBondContact OD1-N 2.83Å; G146-P149 WeakPolarHBondContact O-CD 3.48Å |
| 147 | M | 96.3 | Very high | 97 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19.4 | 176.7 | -70.5 | -69.5 | -74.7 | 0 | 0 | 113.6 | D144 P149 Q150 Y151 | D144-M147 HydrophobicContact CB-CB 4.2Å; D144-M147 PolarHBondContact O-N 3.32Å; D144-M147 PolarHBondContact OD1-N 3.08Å; D144-M147 WeakPolarHBondContact OD2-CG 3.37Å; M147-P149 VanDerWaalsContact C-CD 3.42Å; M147-Q150 WeakPolarHBondContact O-CA 3.41Å; M147-Q150 WeakPolarHBondContact O-CB 3.32Å; M147-Q150 PolarHBondContact O-N 3.3Å; M147-Y151 HydrophobicContact CB-CD2 4.28Å; M147-Y151 HydrophobicContact CB-CE1 4.09Å; M147-Y151 HydrophobicContact CB-CE2 3.61Å; M147-Y151 HydrophobicContact CE-CE1 3.93Å; M147-Y151 PolarHBondContact O-N 3.1Å |
| 148 | L | 96.9 | Very high | 97 | Very high | 12 Ų | 12 | 71.2 Ų | 71.2 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -50.4 | -39.9 | 178.6 | -176.7 | 144.9 | 0 | 0 | 0 | 115.3 | L137 R138 L143 D144 Q150 Y151 C152 | L137-L148 HydrophobicContact CD2-CG 4.32Å; R138-L148 HydrophobicContact CB-CD1 4.42Å; R138-L148 HydrophobicContact CG-CD1 3.75Å; R138-L148 HydrophobicContact CG-CD2 3.77Å; R138-L148 HydrophobicContact CG-CG 4.38Å; L143-L148 HydrophobicContact CD2-CB 4.25Å; L143-L148 HydrophobicContact CD2-CD1 4.33Å; D144-L148 PolarHBondContact O-N 3.39Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.29Å; L148-Y151 PolarHBondContact O-N 3.44Å; L148-C152 WeakPolarHBondContact O-CB 3.38Å; L148-C152 PolarHBondContact O-N 3.41Å; L148-C152 PolarHBondContact O-SG 2.89Å |
| 149 | P | 97.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 71.1 Ų | 71.1 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 175.1 | -22.8 | 34.9 | 0 | 0 | 0 | 112.9 | G146 M147 T153 | G146-P149 WeakPolarHBondContact O-CD 3.48Å; M147-P149 VanDerWaalsContact C-CD 3.42Å; P149-T153 WeakPolarHBondContact O-CB 3.37Å; P149-T153 PolarHBondContact O-N 3.48Å; P149-T153 PolarHBondContact O-OG1 3.23Å |
| 150 | Q | 97.9 | Very high | 97.2 | Very high | 110 Ų | 110 | 65.8 Ų | 65.8 | 51% | 0.514 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.3 | -44.9 | 175.3 | 179.9 | 63 | 9.9 | 0 | 0 | 110.5 | M147 L148 C152 T153 T154 | M147-Q150 WeakPolarHBondContact O-CA 3.41Å; M147-Q150 WeakPolarHBondContact O-CB 3.32Å; M147-Q150 PolarHBondContact O-N 3.3Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.29Å; Q150-C152 PolarHBondContact O-N 3.08Å; Q150-T153 CarbonylContact O-C 3.58Å; Q150-T153 WeakPolarHBondContact O-CA 3.35Å; Q150-T153 WeakPolarHBondContact O-CB 3.36Å; Q150-T153 PolarHBondContact O-N 2.92Å; Q150-T154 PolarHBondContact O-N 3.47Å; Q150-T154 PolarHBondContact O-OG1 3.28Å |
| 151 | Y | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.6 | -58.2 | -26.6 | 0 | 0 | 0 | 112.7 | L143 M147 L148 T153 T154 I155 M179 N180 D183 | L143-Y151 HydrophobicContact CD2-CD2 3.95Å; L143-Y151 HydrophobicContact CD2-CE2 4.01Å; M147-Y151 HydrophobicContact CB-CD2 4.28Å; M147-Y151 HydrophobicContact CB-CE1 4.09Å; M147-Y151 HydrophobicContact CB-CE2 3.61Å; M147-Y151 HydrophobicContact CE-CE1 3.93Å; M147-Y151 PolarHBondContact O-N 3.1Å; L148-Y151 PolarHBondContact O-N 3.44Å; Y151-T153 VanDerWaalsContact C-N 3.26Å; Y151-T153 PolarHBondContact O-N 3.25Å; Y151-T154 PolarHBondContact O-N 2.86Å; Y151-I155 VanDerWaalsContact O-CG1 3.32Å; Y151-I155 WeakPolarHBondContact O-CG1 3.48Å; Y151-I155 PolarHBondContact O-N 2.86Å; Y151-M179 HydrophobicContact CD1-CG 3.73Å; Y151-M179 HydrophobicContact CD2-CE 4.29Å; Y151-M179 HydrophobicContact CD2-CG 4.15Å; Y151-M179 HydrophobicContact CE1-CB 4.07Å; Y151-M179 HydrophobicContact CE1-CG 3.64Å; Y151-M179 HydrophobicContact CE2-CG 4.03Å; Y151-M179 HydrophobicContact CG-CE 4.07Å; Y151-M179 HydrophobicContact CG-CG 4Å; Y151-N180 VanDerWaalsContact OH-CG 3.3Å; Y151-N180 PolarHBondContact OH-N 3.04Å; Y151-N180 PolarHBondContact OH-ND2 3.5Å; Y151-D183 HydrophobicContact CE2-CB 3.86Å; Y151-D183 PolarHBondContact OH-OD2 3.18Å |
| 152 | C | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 8% | 0.081 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -37 | 171.8 | -68.6 | 0 | 0 | 0 | 0 | 112 | R138 L148 Q150 K156 | R138-C152 PolarHBondContact NH1-SG 3.48Å; L148-C152 WeakPolarHBondContact O-CB 3.38Å; L148-C152 PolarHBondContact O-N 3.41Å; L148-C152 PolarHBondContact O-SG 2.89Å; Q150-C152 PolarHBondContact O-N 3.08Å; C152-K156 WeakPolarHBondContact O-CB 3.15Å; C152-K156 WeakPolarHBondContact O-CG 3.39Å; C152-K156 PolarHBondContact O-N 3.38Å |
| 153 | T | 98.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 61.5 Ų | 61.5 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 175.9 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | P149 Q150 Y151 K156 K157 | P149-T153 WeakPolarHBondContact O-CB 3.37Å; P149-T153 PolarHBondContact O-N 3.48Å; P149-T153 PolarHBondContact O-OG1 3.23Å; Q150-T153 CarbonylContact O-C 3.58Å; Q150-T153 WeakPolarHBondContact O-CA 3.35Å; Q150-T153 WeakPolarHBondContact O-CB 3.36Å; Q150-T153 PolarHBondContact O-N 2.92Å; Y151-T153 VanDerWaalsContact C-N 3.26Å; Y151-T153 PolarHBondContact O-N 3.25Å; T153-K156 PolarHBondContact O-N 3.42Å; T153-K157 VanDerWaalsContact O-CB 3.25Å; T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 PolarHBondContact O-N 2.85Å |
| 154 | T | 98.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 173.4 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | Q150 Y151 K156 K157 A158 E176 M177 | Q150-T154 PolarHBondContact O-N 3.47Å; Q150-T154 PolarHBondContact O-OG1 3.28Å; Y151-T154 PolarHBondContact O-N 2.86Å; T154-K156 VanDerWaalsContact C-N 3.27Å; T154-K156 PolarHBondContact O-N 3.04Å; T154-K157 PolarHBondContact O-N 3.01Å; T154-A158 WeakPolarHBondContact O-CB 3.35Å; T154-A158 PolarHBondContact O-N 3.37Å; T154-E176 WeakPolarHBondContact CG2-O 3.33Å; T154-M177 HydrophobicContact CG2-CE 3.48Å; T154-M177 VanDerWaalsContact CG2-CE 3.48Å |
| 155 | I | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54.2 | -44.6 | 175.5 | -72.1 | 167 | 0 | 0 | 0 | 111 | V130 V133 L137 Y151 N159 I160 M177 | V130-I155 HydrophobicContact CG1-CG2 3.8Å; V133-I155 HydrophobicContact CB-CG2 4.43Å; V133-I155 HydrophobicContact CG1-CD1 4.24Å; V133-I155 HydrophobicContact CG1-CG2 4Å; L137-I155 HydrophobicContact CB-CD1 4.39Å; L137-I155 HydrophobicContact CD2-CD1 3.85Å; L137-I155 HydrophobicContact CG-CD1 4.49Å; Y151-I155 VanDerWaalsContact O-CG1 3.32Å; Y151-I155 WeakPolarHBondContact O-CG1 3.48Å; Y151-I155 PolarHBondContact O-N 2.86Å; I155-N159 PolarHBondContact O-N 2.92Å; I155-I160 HydrophobicContact CG2-CB 4.28Å; I155-I160 PolarHBondContact O-N 2.8Å; I155-M177 HydrophobicContact CG1-CE 3.61Å; I155-M177 HydrophobicContact CG1-SD 3.86Å |
| 156 | K | 98.1 | Very high | 97.4 | Very high | 109 Ų | 109 | 55 Ų | 55 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 178.2 | -73.1 | -177.6 | 173.8 | -157.1 | 0 | 113.4 | V130 D131 C152 T153 T154 N159 | V130-K156 HydrophobicContact CG1-CB 4.35Å; V130-K156 HydrophobicContact CG1-CG 3.7Å; D131-K156 WeakPolarHBondContact OD1-CE 3.44Å; D131-K156 IonicContact OD1-NZ 3.49Å; D131-K156 PolarHBondContact OD1-NZ 2.86Å; C152-K156 WeakPolarHBondContact O-CB 3.15Å; C152-K156 WeakPolarHBondContact O-CG 3.39Å; C152-K156 PolarHBondContact O-N 3.38Å; T153-K156 PolarHBondContact O-N 3.42Å; T154-K156 VanDerWaalsContact C-N 3.27Å; T154-K156 PolarHBondContact O-N 3.04Å; K156-N159 PolarHBondContact O-N 3.39Å |
| 157 | K | 98.1 | Very high | 97.4 | Very high | 187 Ų | 187 | 59.8 Ų | 59.8 | 81% | 0.813 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.6 | -41.3 | 179.2 | -176 | -172.8 | 174.7 | -166.4 | 0 | 112.5 | T153 T154 N159 | T153-K157 VanDerWaalsContact O-CB 3.25Å; T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 PolarHBondContact O-N 2.85Å; T154-K157 PolarHBondContact O-N 3.01Å; K157-N159 VanDerWaalsContact C-N 3.32Å |
| 158 | A | 97.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 58 Ų | 58 | 28% | 0.281 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T154 I160 E176 | T154-A158 WeakPolarHBondContact O-CB 3.35Å; T154-A158 PolarHBondContact O-N 3.37Å; A158-I160 VanDerWaalsContact C-N 3.26Å; A158-I160 HydrophobicContact CB-CD1 3.7Å; A158-I160 HydrophobicContact CB-CG1 3.79Å; A158-I160 PolarHBondContact O-N 3.1Å; A158-E176 HydrophobicContact CB-CG 3.85Å; A158-E176 WeakPolarHBondContact CB-OE1 3.33Å |
| 159 | N | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 61 Ų | 61 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.1 | -177.1 | -171.1 | 19.4 | 0 | 0 | 0 | 113.2 | V130 I155 K156 K157 N161 | V130-N159 WeakPolarHBondContact CG2-OD1 3.45Å; I155-N159 PolarHBondContact O-N 2.92Å; K156-N159 PolarHBondContact O-N 3.39Å; K157-N159 VanDerWaalsContact C-N 3.32Å; N159-N161 VanDerWaalsContact C-N 3.3Å; N159-N161 PolarHBondContact O-N 2.94Å; N159-N161 PolarHBondContact O-ND2 2.71Å |
| 160 | I | 97.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | | | trans | -76.4 | 86 | -178.6 | -66.1 | 167.3 | 0 | 0 | 0 | 108.5 | I155 A158 L165 L173 E176 M177 | I155-I160 HydrophobicContact CG2-CB 4.28Å; I155-I160 PolarHBondContact O-N 2.8Å; A158-I160 VanDerWaalsContact C-N 3.26Å; A158-I160 HydrophobicContact CB-CD1 3.7Å; A158-I160 HydrophobicContact CB-CG1 3.79Å; A158-I160 PolarHBondContact O-N 3.1Å; I160-L165 HydrophobicContact CG2-CD1 4.09Å; I160-L165 HydrophobicContact CG2-CD2 3.52Å; I160-L165 HydrophobicContact CG2-CG 3.61Å; I160-L173 HydrophobicContact CD1-CD1 4.11Å; I160-L173 HydrophobicContact CG2-CD1 4.36Å; I160-E176 HydrophobicContact CD1-CG 4.13Å; I160-M177 HydrophobicContact CD1-CE 3.41Å; I160-M177 VanDerWaalsContact CD1-CE 3.41Å; I160-M177 HydrophobicContact CD1-CG 4.47Å; I160-M177 HydrophobicContact CD1-SD 3.9Å |
| 161 | N | 97.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | | | trans | -93.5 | 173.8 | 173.3 | 64.2 | 77.3 | 0 | 0 | 0 | 111.2 | V130 N159 R163 V164 L165 | V130-N161 HydrophobicContact CG2-CB 3.88Å; N159-N161 VanDerWaalsContact C-N 3.3Å; N159-N161 PolarHBondContact O-N 2.94Å; N159-N161 PolarHBondContact O-ND2 2.71Å; N161-R163 VanDerWaalsContact C-N 3.34Å; N161-R163 PolarHBondContact O-N 2.69Å; N161-R163 WeakPolarHBondContact OD1-CB 3.37Å; N161-R163 PolarHBondContact OD1-N 2.69Å; N161-V164 WeakPolarHBondContact O-CB 3.25Å; N161-V164 PolarHBondContact O-N 2.59Å; N161-V164 VanDerWaalsContact O-N 3.14Å; N161-V164 PolarHBondContact OD1-N 2.94Å; N161-L165 PolarHBondContact O-N 3.5Å |
| 162 | G | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.5 | -38.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L125 M128 L165 A166 | L125-G162 CarbonylContact O-C 3.58Å; L125-G162 WeakPolarHBondContact O-CA 3.47Å; M128-G162 WeakPolarHBondContact O-CA 3.38Å; M128-G162 PolarHBondContact O-N 3.4Å; G162-L165 PolarHBondContact O-N 3.11Å; G162-A166 WeakPolarHBondContact O-CB 3.35Å; G162-A166 PolarHBondContact O-N 2.7Å |
| 163 | R | 96.1 | Very high | 97.3 | Very high | 164 Ų | 164 | 62.1 Ų | 62.1 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.5 | -39 | 178 | -59.1 | -177.4 | -175.7 | -91 | -5 | 111.7 | S126 N161 A166 Q167 | S126-R163 WeakPolarHBondContact O-CG 3.18Å; N161-R163 VanDerWaalsContact C-N 3.34Å; N161-R163 PolarHBondContact O-N 2.69Å; N161-R163 WeakPolarHBondContact OD1-CB 3.37Å; N161-R163 PolarHBondContact OD1-N 2.69Å; R163-A166 PolarHBondContact O-N 3.33Å; R163-Q167 PolarHBondContact O-N 3.4Å |
| 164 | V | 97.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 35% | 0.352 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | 172.8 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | N161 A166 Q167 C168 | N161-V164 WeakPolarHBondContact O-CB 3.25Å; N161-V164 PolarHBondContact O-N 2.59Å; N161-V164 VanDerWaalsContact O-N 3.14Å; N161-V164 PolarHBondContact OD1-N 2.94Å; V164-A166 VanDerWaalsContact C-N 3.28Å; V164-A166 PolarHBondContact O-N 2.85Å; V164-Q167 PolarHBondContact O-N 3.04Å; V164-Q167 VanDerWaalsContact O-N 3.13Å; V164-C168 HydrophobicContact CG1-CB 4.19Å; V164-C168 VanDerWaalsContact O-CB 3.24Å; V164-C168 WeakPolarHBondContact O-CB 3.43Å; V164-C168 PolarHBondContact O-N 2.94Å; V164-C168 PolarHBondContact O-SG 3.06Å; V164-C168 VanDerWaalsContact O-SG 3.33Å |
| 165 | L | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -24.4 | 179 | -72.9 | -176.9 | 0 | 0 | 0 | 114.6 | L125 V133 I160 N161 G162 L173 F187 V191 R195 | L125-L165 HydrophobicContact CD1-CB 4Å; L125-L165 HydrophobicContact CD2-CB 4.37Å; L125-L165 HydrophobicContact CG-CB 4.39Å; V133-L165 HydrophobicContact CB-CD1 4.38Å; V133-L165 HydrophobicContact CG1-CD1 3.48Å; V133-L165 VanDerWaalsContact CG1-CD1 3.48Å; V133-L165 HydrophobicContact CG2-CD1 3.89Å; I160-L165 HydrophobicContact CG2-CD1 4.09Å; I160-L165 HydrophobicContact CG2-CD2 3.52Å; I160-L165 HydrophobicContact CG2-CG 3.61Å; N161-L165 PolarHBondContact O-N 3.5Å; G162-L165 PolarHBondContact O-N 3.11Å; L165-L173 HydrophobicContact CD2-CD1 3.84Å; L165-L173 HydrophobicContact CD2-CD2 3.66Å; L165-L173 HydrophobicContact CD2-CG 4.42Å; L165-F187 HydrophobicContact CD1-CZ 4.23Å; L165-F187 HydrophobicContact CD2-CE1 4.46Å; L165-F187 HydrophobicContact CD2-CZ 4Å; L165-V191 HydrophobicContact CB-CG1 4.48Å; L165-V191 HydrophobicContact CD1-CG2 4.24Å; L165-V191 HydrophobicContact CD2-CG1 4.41Å; L165-V191 HydrophobicContact CD2-CG2 4.04Å; L165-R195 PolarHBondContact O-NE 3.4Å; L165-R195 PolarHBondContact O-NH2 2.62Å |
| 166 | A | 96.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 74.1 Ų | 74.1 | 17% | 0.165 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.6 | -33.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L125 G162 R163 V164 R195 E198 | L125-A166 HydrophobicContact CD2-CB 4.12Å; L125-A166 HydrophobicContact CG-CB 4.25Å; G162-A166 WeakPolarHBondContact O-CB 3.35Å; G162-A166 PolarHBondContact O-N 2.7Å; R163-A166 PolarHBondContact O-N 3.33Å; V164-A166 VanDerWaalsContact C-N 3.28Å; V164-A166 PolarHBondContact O-N 2.85Å; A166-R195 VanDerWaalsContact O-CZ 3.28Å; A166-R195 PolarHBondContact O-NE 3.16Å; A166-E198 WeakPolarHBondContact CB-OE2 3.36Å |
| 167 | Q | 95.5 | Very high | 97.1 | Very high | 164 Ų | 164 | 69 Ų | 69 | 77% | 0.766 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -115 | -24.2 | -165.6 | -62.4 | -178.5 | 0.1 | 0 | 0 | 115.3 | R163 V164 | R163-Q167 PolarHBondContact O-N 3.4Å; V164-Q167 PolarHBondContact O-N 3.04Å; V164-Q167 VanDerWaalsContact O-N 3.13Å |
| 168 | C | 96.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 63.7 Ų | 63.7 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -65.1 | 154.8 | -171.8 | 70.6 | 0 | 0 | 0 | 0 | 113.3 | V164 I170 R195 | V164-C168 HydrophobicContact CG1-CB 4.19Å; V164-C168 VanDerWaalsContact O-CB 3.24Å; V164-C168 WeakPolarHBondContact O-CB 3.43Å; V164-C168 PolarHBondContact O-N 2.94Å; V164-C168 PolarHBondContact O-SG 3.06Å; V164-C168 VanDerWaalsContact O-SG 3.33Å; C168-I170 PolarHBondContact O-N 3.34Å; C168-R195 PolarHBondContact O-NH1 3.01Å; C168-R195 VanDerWaalsContact O-NH1 3.12Å; C168-R195 PolarHBondContact O-NH2 3.46Å; C168-R195 PolarHBondContact SG-NH2 3.33Å; C168-R195 VanDerWaalsContact SG-NH2 3.4Å |
| 169 | N | 97.5 | Very high | 96.9 | Very high | 76 Ų | 76 | 63.2 Ų | 63.2 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | | | trans | -66.5 | 131.8 | 167.8 | -176.9 | -5.6 | 0 | 0 | 0 | 109.6 | D171 E172 L173 | N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 PolarHBondContact O-N 3.44Å; N169-D171 PolarHBondContact OD1-N 3.36Å; N169-D171 VanDerWaalsContact OD1-N 3.13Å; N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 4.13Å; N169-E172 PolarHBondContact ND2-OE1 3.01Å; N169-E172 PolarHBondContact O-N 3.07Å; N169-L173 WeakPolarHBondContact O-CB 2.97Å; N169-L173 PolarHBondContact O-N 3.48Å |
| 170 | I | 97.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.3 | -30.2 | -176.4 | -56.5 | -63.7 | 0 | 0 | 0 | 111.4 | C168 K174 W184 R188 V191 L192 | C168-I170 PolarHBondContact O-N 3.34Å; I170-K174 PolarHBondContact O-N 3.33Å; I170-W184 HydrophobicContact CG2-CH2 4.09Å; I170-W184 HydrophobicContact CG2-CZ2 3.71Å; I170-W184 WeakPolarHBondContact O-CH2 3.36Å; I170-W184 WeakPolarHBondContact O-CZ2 3.48Å; I170-R188 HydrophobicContact CG2-CG 3.85Å; I170-R188 VanDerWaalsContact CG2-CZ 3.46Å; I170-R188 VanDerWaalsContact CG2-NH1 3.29Å; I170-V191 HydrophobicContact CD1-CG1 4.28Å; I170-L192 HydrophobicContact CD1-CD2 4.18Å; I170-L192 HydrophobicContact CG1-CD2 4.33Å |
| 171 | D | 96.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -85.9 | -11.2 | -179.4 | -59 | -34.6 | 0 | 0 | 0 | 113 | N169 K175 R188 | N169-D171 VanDerWaalsContact C-N 3.29Å; N169-D171 PolarHBondContact O-N 3.44Å; N169-D171 PolarHBondContact OD1-N 3.36Å; N169-D171 VanDerWaalsContact OD1-N 3.13Å; D171-K175 WeakPolarHBondContact O-CD 3.42Å; D171-K175 WeakPolarHBondContact O-CE 3.39Å; D171-K175 WeakPolarHBondContact O-CG 3.39Å; D171-R188 IonicContact OD1-NH1 2.69Å; D171-R188 PolarHBondContact OD1-NH1 3.28Å; D171-R188 VanDerWaalsContact OD1-NH1 3.13Å |
| 172 | E | 96.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 69.2 Ų | 69.2 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -83.7 | -46.5 | 163.5 | -74.1 | 155.4 | -146.9 | 0 | 0 | 110.3 | N169 K174 K175 E176 | N169-E172 HydrophobicContact CB-CB 4.14Å; N169-E172 HydrophobicContact CB-CG 4.13Å; N169-E172 PolarHBondContact ND2-OE1 3.01Å; N169-E172 PolarHBondContact O-N 3.07Å; E172-K174 PolarHBondContact O-N 3.4Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.43Å; E172-E176 PolarHBondContact O-N 2.92Å |
| 173 | L | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 69.7 Ų | 69.7 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.4 | -36.5 | 173 | -176.8 | 66.5 | 0 | 0 | 0 | 111.9 | I160 L165 N169 K175 E176 M177 W184 F187 | I160-L173 HydrophobicContact CD1-CD1 4.11Å; I160-L173 HydrophobicContact CG2-CD1 4.36Å; L165-L173 HydrophobicContact CD2-CD1 3.84Å; L165-L173 HydrophobicContact CD2-CD2 3.66Å; L165-L173 HydrophobicContact CD2-CG 4.42Å; N169-L173 WeakPolarHBondContact O-CB 2.97Å; N169-L173 PolarHBondContact O-N 3.48Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.09Å; L173-E176 PolarHBondContact O-N 2.94Å; L173-M177 HydrophobicContact CD1-CG 3.74Å; L173-M177 HydrophobicContact CD1-SD 4.28Å; L173-M177 HydrophobicContact CG-CG 4.03Å; L173-M177 VanDerWaalsContact O-CB 3.3Å; L173-M177 WeakPolarHBondContact O-CB 3.4Å; L173-M177 WeakPolarHBondContact O-CG 3.2Å; L173-M177 PolarHBondContact O-N 3.05Å; L173-W184 HydrophobicContact CB-CH2 4.09Å; L173-W184 HydrophobicContact CD2-CH2 4.08Å; L173-W184 HydrophobicContact CD2-CZ3 4.35Å; L173-W184 HydrophobicContact CG-CH2 3.92Å; L173-W184 HydrophobicContact CG-CZ3 4.02Å; L173-F187 HydrophobicContact CD1-CE1 4.43Å; L173-F187 HydrophobicContact CD2-CE1 4.01Å; L173-F187 HydrophobicContact CG-CE1 4.31Å |
| 174 | K | 97.5 | Very high | 97 | Very high | 92 Ų | 92 | 62 Ų | 62 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 173.6 | -171.4 | 174.2 | -175.5 | 179.9 | 0 | 112.9 | I170 E172 A178 W184 | I170-K174 PolarHBondContact O-N 3.33Å; E172-K174 PolarHBondContact O-N 3.4Å; K174-A178 PolarHBondContact O-N 3.09Å; K174-W184 VanDerWaalsContact CA-CH2 3.48Å; K174-W184 HydrophobicContact CB-CD2 4.19Å; K174-W184 HydrophobicContact CB-CE3 4.44Å; K174-W184 HydrophobicContact CB-CH2 3.8Å; K174-W184 HydrophobicContact CB-CZ2 3.48Å; K174-W184 VanDerWaalsContact CB-CZ2 3.48Å; K174-W184 HydrophobicContact CB-CZ3 4.27Å; K174-W184 HydrophobicContact CD-CD2 4.44Å; K174-W184 HydrophobicContact CD-CG 4.49Å; K174-W184 HydrophobicContact CD-CZ2 4.41Å; K174-W184 HydrophobicContact CG-CD2 3.83Å; K174-W184 HydrophobicContact CG-CE3 4.4Å; K174-W184 HydrophobicContact CG-CG 4.21Å; K174-W184 HydrophobicContact CG-CZ2 3.95Å; K174-W184 VanDerWaalsContact N-CH2 3.33Å |
| 175 | K | 97 | Very high | 97 | Very high | 158 Ų | 158 | 63.2 Ų | 63.2 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.7 | -42.9 | -178.1 | -62.8 | 163.8 | -170 | 164.2 | 0 | 110.5 | D171 E172 L173 | D171-K175 WeakPolarHBondContact O-CD 3.42Å; D171-K175 WeakPolarHBondContact O-CE 3.39Å; D171-K175 WeakPolarHBondContact O-CG 3.39Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.43Å; L173-K175 VanDerWaalsContact C-N 3.35Å; L173-K175 PolarHBondContact O-N 3.09Å |
| 176 | E | 97.4 | Very high | 97.1 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.7 | -167 | 60.4 | -150.6 | 0 | 0 | 112.1 | T154 A158 I160 E172 L173 | T154-E176 WeakPolarHBondContact CG2-O 3.33Å; A158-E176 HydrophobicContact CB-CG 3.85Å; A158-E176 WeakPolarHBondContact CB-OE1 3.33Å; I160-E176 HydrophobicContact CD1-CG 4.13Å; E172-E176 PolarHBondContact O-N 2.92Å; L173-E176 PolarHBondContact O-N 2.94Å |
| 177 | M | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.6 | -27.7 | -177.5 | -66 | -85.6 | 65.2 | 0 | 0 | 114.1 | T154 I155 I160 L173 M179 W184 F187 | T154-M177 HydrophobicContact CG2-CE 3.48Å; T154-M177 VanDerWaalsContact CG2-CE 3.48Å; I155-M177 HydrophobicContact CG1-CE 3.61Å; I155-M177 HydrophobicContact CG1-SD 3.86Å; I160-M177 HydrophobicContact CD1-CE 3.41Å; I160-M177 VanDerWaalsContact CD1-CE 3.41Å; I160-M177 HydrophobicContact CD1-CG 4.47Å; I160-M177 HydrophobicContact CD1-SD 3.9Å; L173-M177 HydrophobicContact CD1-CG 3.74Å; L173-M177 HydrophobicContact CD1-SD 4.28Å; L173-M177 HydrophobicContact CG-CG 4.03Å; L173-M177 VanDerWaalsContact O-CB 3.3Å; L173-M177 WeakPolarHBondContact O-CB 3.4Å; L173-M177 WeakPolarHBondContact O-CG 3.2Å; L173-M177 PolarHBondContact O-N 3.05Å; M177-M179 HydrophobicContact CB-CE 4.2Å; M177-M179 HydrophobicContact CB-CG 4.09Å; M177-M179 HydrophobicContact CB-SD 3.98Å; M177-M179 HydrophobicContact CG-CE 4.4Å; M177-M179 PolarHBondContact O-N 2.95Å; M177-M179 HydrophobicContact SD-CE 3.84Å; M177-W184 HydrophobicContact CB-CE3 4.42Å; M177-W184 HydrophobicContact CB-CZ3 4.29Å; M177-W184 HydrophobicContact CG-CZ3 4.24Å; M177-F187 HydrophobicContact CG-CD1 4.46Å; M177-F187 HydrophobicContact CG-CE1 3.9Å; M177-F187 HydrophobicContact SD-CD1 4.4Å; M177-F187 HydrophobicContact SD-CE1 3.6Å; M177-F187 VanDerWaalsContact SD-CE1 3.6Å; M177-F187 HydrophobicContact SD-CZ 3.9Å |
| 178 | A | 95.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 61 Ų | 61 | 64% | 0.636 | 31% | 0.313 | S | S | * | . | | | trans | 48.9 | 33 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K174 | K174-A178 PolarHBondContact O-N 3.09Š|
| 179 | M | 96.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 63 Ų | 63 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | | | trans | -73 | 157.6 | -179.1 | -74.3 | 165.1 | 174.4 | 0 | 0 | 112.6 | L137 Y151 M177 D183 W184 F187 | L137-M179 HydrophobicContact CD1-CE 3.79Å; Y151-M179 HydrophobicContact CD1-CG 3.73Å; Y151-M179 HydrophobicContact CD2-CE 4.29Å; Y151-M179 HydrophobicContact CD2-CG 4.15Å; Y151-M179 HydrophobicContact CE1-CB 4.07Å; Y151-M179 HydrophobicContact CE1-CG 3.64Å; Y151-M179 HydrophobicContact CE2-CG 4.03Å; Y151-M179 HydrophobicContact CG-CE 4.07Å; Y151-M179 HydrophobicContact CG-CG 4Å; M177-M179 HydrophobicContact CB-CE 4.2Å; M177-M179 HydrophobicContact CB-CG 4.09Å; M177-M179 HydrophobicContact CB-SD 3.98Å; M177-M179 HydrophobicContact CG-CE 4.4Å; M177-M179 PolarHBondContact O-N 2.95Å; M177-M179 HydrophobicContact SD-CE 3.84Å; M179-D183 HydrophobicContact CB-CB 4.25Å; M179-W184 HydrophobicContact CB-CB 3.93Å; M179-W184 HydrophobicContact SD-CE3 4.09Å; M179-F187 HydrophobicContact CE-CB 4.2Å; M179-F187 HydrophobicContact CE-CD1 3.83Å; M179-F187 HydrophobicContact CE-CD2 4.28Å; M179-F187 HydrophobicContact CE-CE1 4.24Å; M179-F187 HydrophobicContact CE-CG 3.85Å; M179-F187 HydrophobicContact SD-CB 3.83Å; M179-F187 HydrophobicContact SD-CD1 3.75Å; M179-F187 HydrophobicContact SD-CG 3.93Å |
| 180 | N | 96.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | | | trans | -57.1 | 157.2 | 166.5 | -61.7 | -43.1 | 0 | 0 | 0 | 109.8 | Y151 G182 D183 W184 | Y151-N180 VanDerWaalsContact OH-CG 3.3Å; Y151-N180 PolarHBondContact OH-N 3.04Å; Y151-N180 PolarHBondContact OH-ND2 3.5Å; N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 2.93Å; N180-D183 HydrophobicContact CB-CB 4.35Å; N180-D183 VanDerWaalsContact CB-OD2 3.29Å; N180-D183 WeakPolarHBondContact CB-OD2 3.47Å; N180-D183 PolarHBondContact ND2-OD2 3.45Å; N180-D183 PolarHBondContact O-N 3.31Å; N180-W184 VanDerWaalsContact O-CB 3.25Å; N180-W184 WeakPolarHBondContact O-CB 3.39Å; N180-W184 PolarHBondContact O-N 3.47Å |
| 181 | F | 97.6 | Very high | 97.3 | Very high | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.671 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -55.9 | -44.6 | -177.8 | -179.5 | -95.5 | 0 | 0 | 0 | 113.1 | H185 | F181-H185 AromaticContact CE2-CD2 3.8Å; F181-H185 AromaticContact CE2-NE2 3.6Å; F181-H185 AromaticContact CZ-CD2 3.7Å; F181-H185 AromaticContact CZ-NE2 3.6Å; F181-H185 PolarHBondContact O-CD2 3.19Å; F181-H185 VanDerWaalsContact O-CD2 3.3Å; F181-H185 PolarHBondContact O-N 2.92Å |
| 182 | G | 97.7 | Very high | 97.3 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.5 | -58 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N180 W184 H185 L186 | N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 2.93Å; G182-W184 PolarHBondContact O-N 2.9Å; G182-H185 WeakPolarHBondContact O-CA 3.34Å; G182-H185 PolarHBondContact O-N 2.86Å; G182-L186 PolarHBondContact O-N 3.18Å |
| 183 | D | 97.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -52.8 | -41.9 | 179.4 | -59.1 | -38.7 | 0 | 0 | 0 | 112.4 | L143 D144 Y151 M179 N180 H185 L186 F187 | L143-D183 WeakPolarHBondContact CA-OD1 3.41Å; L143-D183 HydrophobicContact CG-CB 4.11Å; L143-D183 WeakPolarHBondContact CG-OD1 3.44Å; D144-D183 WeakPolarHBondContact CB-OD2 3.4Å; D144-D183 PolarHBondContact N-OD1 3.29Å; Y151-D183 HydrophobicContact CE2-CB 3.86Å; Y151-D183 PolarHBondContact OH-OD2 3.18Å; M179-D183 HydrophobicContact CB-CB 4.25Å; N180-D183 HydrophobicContact CB-CB 4.35Å; N180-D183 VanDerWaalsContact CB-OD2 3.29Å; N180-D183 WeakPolarHBondContact CB-OD2 3.47Å; N180-D183 PolarHBondContact ND2-OD2 3.45Å; N180-D183 PolarHBondContact O-N 3.31Å; D183-H185 PolarHBondContact O-N 3.26Å; D183-L186 PolarHBondContact O-N 3.37Å; D183-F187 WeakPolarHBondContact O-CB 3.4Å; D183-F187 PolarHBondContact O-N 2.96Å |
| 184 | W | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.9 | 171.8 | -107.9 | 0 | 0 | 0 | 112.5 | I170 L173 K174 M177 M179 N180 G182 F187 R188 | I170-W184 HydrophobicContact CG2-CH2 4.09Å; I170-W184 HydrophobicContact CG2-CZ2 3.71Å; I170-W184 WeakPolarHBondContact O-CH2 3.36Å; I170-W184 WeakPolarHBondContact O-CZ2 3.48Å; L173-W184 HydrophobicContact CB-CH2 4.09Å; L173-W184 HydrophobicContact CD2-CH2 4.08Å; L173-W184 HydrophobicContact CD2-CZ3 4.35Å; L173-W184 HydrophobicContact CG-CH2 3.92Å; L173-W184 HydrophobicContact CG-CZ3 4.02Å; K174-W184 VanDerWaalsContact CA-CH2 3.48Å; K174-W184 HydrophobicContact CB-CD2 4.19Å; K174-W184 HydrophobicContact CB-CE3 4.44Å; K174-W184 HydrophobicContact CB-CH2 3.8Å; K174-W184 HydrophobicContact CB-CZ2 3.48Å; K174-W184 VanDerWaalsContact CB-CZ2 3.48Å; K174-W184 HydrophobicContact CB-CZ3 4.27Å; K174-W184 HydrophobicContact CD-CD2 4.44Å; K174-W184 HydrophobicContact CD-CG 4.49Å; K174-W184 HydrophobicContact CD-CZ2 4.41Å; K174-W184 HydrophobicContact CG-CD2 3.83Å; K174-W184 HydrophobicContact CG-CE3 4.4Å; K174-W184 HydrophobicContact CG-CG 4.21Å; K174-W184 HydrophobicContact CG-CZ2 3.95Å; K174-W184 VanDerWaalsContact N-CH2 3.33Å; M177-W184 HydrophobicContact CB-CE3 4.42Å; M177-W184 HydrophobicContact CB-CZ3 4.29Å; M177-W184 HydrophobicContact CG-CZ3 4.24Å; M179-W184 HydrophobicContact CB-CB 3.93Å; M179-W184 HydrophobicContact SD-CE3 4.09Å; N180-W184 VanDerWaalsContact O-CB 3.25Å; N180-W184 WeakPolarHBondContact O-CB 3.39Å; N180-W184 PolarHBondContact O-N 3.47Å; G182-W184 PolarHBondContact O-N 2.9Å; W184-F187 HydrophobicContact CE3-CD1 4.2Å; W184-F187 AromaticContact CZ3-CD1 3.87Å; W184-F187 HydrophobicContact CZ3-CD1 3.87Å; W184-F187 HydrophobicContact CZ3-CE1 4.31Å; W184-R188 HydrophobicContact CH2-CB 4.47Å; W184-R188 HydrophobicContact CZ2-CB 4.03Å; W184-R188 HydrophobicContact CZ2-CG 4.26Å; W184-R188 WeakPolarHBondContact O-CB 3.44Å; W184-R188 PolarHBondContact O-N 3.38Å |
| 185 | H | 98.3 | Very high | 96.9 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 179.6 | -91.1 | -83.6 | 0 | 0 | 0 | 112.1 | F181 G182 D183 S189 | F181-H185 AromaticContact CE2-CD2 3.8Å; F181-H185 AromaticContact CE2-NE2 3.6Å; F181-H185 AromaticContact CZ-CD2 3.7Å; F181-H185 AromaticContact CZ-NE2 3.6Å; F181-H185 PolarHBondContact O-CD2 3.19Å; F181-H185 VanDerWaalsContact O-CD2 3.3Å; F181-H185 PolarHBondContact O-N 2.92Å; G182-H185 WeakPolarHBondContact O-CA 3.34Å; G182-H185 PolarHBondContact O-N 2.86Å; D183-H185 PolarHBondContact O-N 3.26Å; H185-S189 WeakPolarHBondContact O-CB 3.42Å; H185-S189 PolarHBondContact O-N 3.4Å; H185-S189 VanDerWaalsContact O-N 3.1Å; H185-S189 PolarHBondContact O-OG 2.91Å |
| 186 | L | 98.3 | Very high | 96.7 | Very high | 63 Ų | 63 | 54 Ų | 54 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.9 | -50.2 | 173.4 | -60.4 | 171.5 | 0 | 0 | 0 | 111.3 | I140 L143 G182 D183 R188 S189 M190 | I140-L186 HydrophobicContact CG2-CB 3.6Å; I140-L186 HydrophobicContact CG2-CD1 4.25Å; I140-L186 HydrophobicContact CG2-CG 4.43Å; L143-L186 HydrophobicContact CB-CD1 4.35Å; G182-L186 PolarHBondContact O-N 3.18Å; D183-L186 PolarHBondContact O-N 3.37Å; L186-R188 PolarHBondContact O-N 2.88Å; L186-S189 WeakPolarHBondContact O-CB 3.49Å; L186-S189 PolarHBondContact O-N 2.97Å; L186-S189 VanDerWaalsContact O-N 3.14Å; L186-M190 PolarHBondContact O-N 3.49Å; L186-M190 VanDerWaalsContact O-N 3.07Å |
| 187 | F | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177.2 | 179.8 | -112.9 | 0 | 0 | 0 | 112.8 | L137 I140 L165 L173 M177 M179 D183 W184 S189 M190 V191 | L137-F187 HydrophobicContact CD1-CB 4.44Å; L137-F187 HydrophobicContact CD1-CD2 3.47Å; L137-F187 VanDerWaalsContact CD1-CD2 3.47Å; L137-F187 HydrophobicContact CD1-CE2 3.97Å; L137-F187 HydrophobicContact CD1-CG 4.16Å; I140-F187 HydrophobicContact CD1-CB 4.22Å; I140-F187 HydrophobicContact CD1-CD2 4.11Å; L165-F187 HydrophobicContact CD1-CZ 4.23Å; L165-F187 HydrophobicContact CD2-CE1 4.46Å; L165-F187 HydrophobicContact CD2-CZ 4Å; L173-F187 HydrophobicContact CD1-CE1 4.43Å; L173-F187 HydrophobicContact CD2-CE1 4.01Å; L173-F187 HydrophobicContact CG-CE1 4.31Å; M177-F187 HydrophobicContact CG-CD1 4.46Å; M177-F187 HydrophobicContact CG-CE1 3.9Å; M177-F187 HydrophobicContact SD-CD1 4.4Å; M177-F187 HydrophobicContact SD-CE1 3.6Å; M177-F187 VanDerWaalsContact SD-CE1 3.6Å; M177-F187 HydrophobicContact SD-CZ 3.9Å; M179-F187 HydrophobicContact CE-CB 4.2Å; M179-F187 HydrophobicContact CE-CD1 3.83Å; M179-F187 HydrophobicContact CE-CD2 4.28Å; M179-F187 HydrophobicContact CE-CE1 4.24Å; M179-F187 HydrophobicContact CE-CG 3.85Å; M179-F187 HydrophobicContact SD-CB 3.83Å; M179-F187 HydrophobicContact SD-CD1 3.75Å; M179-F187 HydrophobicContact SD-CG 3.93Å; D183-F187 WeakPolarHBondContact O-CB 3.4Å; D183-F187 PolarHBondContact O-N 2.96Å; W184-F187 HydrophobicContact CE3-CD1 4.2Å; W184-F187 AromaticContact CZ3-CD1 3.87Å; W184-F187 HydrophobicContact CZ3-CD1 3.87Å; W184-F187 HydrophobicContact CZ3-CE1 4.31Å; F187-S189 VanDerWaalsContact C-N 3.26Å; F187-S189 PolarHBondContact O-N 2.79Å; F187-M190 HydrophobicContact CD2-CE 3.73Å; F187-M190 HydrophobicContact CE2-CE 3.69Å; F187-M190 PolarHBondContact O-N 2.69Å; F187-V191 HydrophobicContact CD1-CG2 4.45Å; F187-V191 HydrophobicContact CD2-CG2 4.32Å; F187-V191 HydrophobicContact CE1-CG2 4.1Å; F187-V191 HydrophobicContact CE2-CG2 3.97Å; F187-V191 HydrophobicContact CZ-CG2 3.85Å; F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 2.89Å |
| 188 | R | 97.9 | Very high | 96 | Very high | 76 Ų | 76 | 53 Ų | 53 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 173.7 | 177 | 172.9 | 175 | 138.2 | -0.3 | 111.8 | I170 D171 W184 L186 L192 | I170-R188 HydrophobicContact CG2-CG 3.85Å; I170-R188 VanDerWaalsContact CG2-CZ 3.46Å; I170-R188 VanDerWaalsContact CG2-NH1 3.29Å; D171-R188 IonicContact OD1-NH1 2.69Å; D171-R188 PolarHBondContact OD1-NH1 3.28Å; D171-R188 VanDerWaalsContact OD1-NH1 3.13Å; W184-R188 HydrophobicContact CH2-CB 4.47Å; W184-R188 HydrophobicContact CZ2-CB 4.03Å; W184-R188 HydrophobicContact CZ2-CG 4.26Å; W184-R188 WeakPolarHBondContact O-CB 3.44Å; W184-R188 PolarHBondContact O-N 3.38Å; L186-R188 PolarHBondContact O-N 2.88Å; R188-L192 HydrophobicContact CG-CD1 3.91Å; R188-L192 WeakPolarHBondContact O-CB 3.43Å; R188-L192 VanDerWaalsContact O-CG 3.25Å; R188-L192 WeakPolarHBondContact O-CG 3.4Å; R188-L192 PolarHBondContact O-N 3.42Å; R188-L192 VanDerWaalsContact O-N 3.09Å |
| 189 | S | 97.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 55.3 Ų | 55.3 | 49% | 0.49 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67 | -49.7 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | H185 L186 F187 V191 L192 E193 | H185-S189 WeakPolarHBondContact O-CB 3.42Å; H185-S189 PolarHBondContact O-N 3.4Å; H185-S189 VanDerWaalsContact O-N 3.1Å; H185-S189 PolarHBondContact O-OG 2.91Å; L186-S189 WeakPolarHBondContact O-CB 3.49Å; L186-S189 PolarHBondContact O-N 2.97Å; L186-S189 VanDerWaalsContact O-N 3.14Å; F187-S189 VanDerWaalsContact C-N 3.26Å; F187-S189 PolarHBondContact O-N 2.79Å; S189-V191 VanDerWaalsContact C-N 3.34Å; S189-V191 PolarHBondContact O-N 2.76Å; S189-L192 PolarHBondContact O-N 3.02Å; S189-E193 WeakPolarHBondContact O-CB 3.41Å; S189-E193 PolarHBondContact O-N 3.38Å |
| 190 | M | 96.7 | Very high | 94.1 | Very high | 28 Ų | 28 | 61.7 Ų | 61.7 | 14% | 0.138 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -45.4 | 174.9 | -176.6 | -164.4 | 72.3 | 0 | 0 | 112.1 | K136 I140 L186 F187 L192 E193 M194 | K136-M190 HydrophobicContact CB-CE 4.21Å; K136-M190 HydrophobicContact CB-SD 3.86Å; I140-M190 HydrophobicContact CD1-CB 4.1Å; I140-M190 HydrophobicContact CD1-CE 4.12Å; I140-M190 HydrophobicContact CD1-CG 4.49Å; I140-M190 HydrophobicContact CD1-SD 3.69Å; I140-M190 HydrophobicContact CG1-SD 3.78Å; L186-M190 PolarHBondContact O-N 3.49Å; L186-M190 VanDerWaalsContact O-N 3.07Å; F187-M190 HydrophobicContact CD2-CE 3.73Å; F187-M190 HydrophobicContact CE2-CE 3.69Å; F187-M190 PolarHBondContact O-N 2.69Å; M190-L192 VanDerWaalsContact C-N 3.35Å; M190-L192 PolarHBondContact O-N 3.34Å; M190-E193 PolarHBondContact O-N 3.32Å; M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 WeakPolarHBondContact O-CG 3.43Å; M190-M194 PolarHBondContact O-N 3.21Å |
| 191 | V | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 111.8 | L165 I170 F187 S189 R195 | L165-V191 HydrophobicContact CB-CG1 4.48Å; L165-V191 HydrophobicContact CD1-CG2 4.24Å; L165-V191 HydrophobicContact CD2-CG1 4.41Å; L165-V191 HydrophobicContact CD2-CG2 4.04Å; I170-V191 HydrophobicContact CD1-CG1 4.28Å; F187-V191 HydrophobicContact CD1-CG2 4.45Å; F187-V191 HydrophobicContact CD2-CG2 4.32Å; F187-V191 HydrophobicContact CE1-CG2 4.1Å; F187-V191 HydrophobicContact CE2-CG2 3.97Å; F187-V191 HydrophobicContact CZ-CG2 3.85Å; F187-V191 WeakPolarHBondContact O-CG2 3.44Å; F187-V191 PolarHBondContact O-N 2.89Å; S189-V191 VanDerWaalsContact C-N 3.34Å; S189-V191 PolarHBondContact O-N 2.76Å; V191-R195 WeakPolarHBondContact O-CG 3.43Å; V191-R195 PolarHBondContact O-N 3.03Å |
| 192 | L | 96.4 | Very high | 89.8 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 40% | 0.398 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.7 | -38.1 | 178.8 | -70.9 | 171.8 | 0 | 0 | 0 | 112.8 | I170 R188 S189 M190 R195 S196 | I170-L192 HydrophobicContact CD1-CD2 4.18Å; I170-L192 HydrophobicContact CG1-CD2 4.33Å; R188-L192 HydrophobicContact CG-CD1 3.91Å; R188-L192 WeakPolarHBondContact O-CB 3.43Å; R188-L192 VanDerWaalsContact O-CG 3.25Å; R188-L192 WeakPolarHBondContact O-CG 3.4Å; R188-L192 PolarHBondContact O-N 3.42Å; R188-L192 VanDerWaalsContact O-N 3.09Å; S189-L192 PolarHBondContact O-N 3.02Å; M190-L192 VanDerWaalsContact C-N 3.35Å; M190-L192 PolarHBondContact O-N 3.34Å; L192-R195 PolarHBondContact O-N 3.2Å; L192-S196 PolarHBondContact O-N 3.07Å |
| 193 | E | 95 | Very high | 87.6 | Confident | 126 Ų | 126 | 64 Ų | 64 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.4 | -48.1 | 170.6 | -179.4 | -175.7 | -170.5 | 0 | 0 | 110.9 | S189 M190 R195 S196 V197 | S189-E193 WeakPolarHBondContact O-CB 3.41Å; S189-E193 PolarHBondContact O-N 3.38Å; M190-E193 PolarHBondContact O-N 3.32Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 3.18Å; E193-S196 PolarHBondContact O-N 3.03Å; E193-S196 VanDerWaalsContact O-N 3.09Å; E193-S196 PolarHBondContact O-OG 3.07Å; E193-V197 WeakPolarHBondContact O-CG2 3.1Å; E193-V197 PolarHBondContact O-N 3.37Å |
| 194 | M | 93.6 | Very high | 85.1 | Confident | 28 Ų | 28 | 72.1 Ų | 72.1 | 14% | 0.138 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -32.7 | 178.8 | -76.5 | -153.5 | 72.2 | 0 | 0 | 113.2 | L123 L125 M128 M190 E198 | L123-M194 WeakPolarHBondContact O-CE 3.33Å; L125-M194 HydrophobicContact CB-CB 4.15Å; L125-M194 HydrophobicContact CB-CE 4.05Å; L125-M194 HydrophobicContact CD1-CB 4.05Å; L125-M194 HydrophobicContact CD1-CE 4.02Å; L125-M194 HydrophobicContact CD1-SD 4Å; L125-M194 HydrophobicContact CD2-CB 3.88Å; L125-M194 HydrophobicContact CG-CB 4.24Å; M128-M194 HydrophobicContact CE-CE 3.3Å; M128-M194 HydrophobicContact CE-SD 4.06Å; M128-M194 HydrophobicContact SD-CE 3.75Å; M128-M194 HydrophobicContact SD-SD 4.13Å; M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 WeakPolarHBondContact O-CG 3.43Å; M190-M194 PolarHBondContact O-N 3.21Å; M194-E198 WeakPolarHBondContact O-CB 3.48Å; M194-E198 PolarHBondContact O-N 3.06Å |
| 195 | R | 95.4 | Very high | 81.9 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 170 | -75.6 | -179.9 | -168.9 | -158.7 | 0.8 | 112.5 | L125 L165 A166 C168 V191 L192 E193 E198 N199 | L125-R195 HydrophobicContact CD2-CG 3.7Å; L165-R195 PolarHBondContact O-NE 3.4Å; L165-R195 PolarHBondContact O-NH2 2.62Å; A166-R195 VanDerWaalsContact O-CZ 3.28Å; A166-R195 PolarHBondContact O-NE 3.16Å; C168-R195 PolarHBondContact O-NH1 3.01Å; C168-R195 VanDerWaalsContact O-NH1 3.12Å; C168-R195 PolarHBondContact O-NH2 3.46Å; C168-R195 PolarHBondContact SG-NH2 3.33Å; C168-R195 VanDerWaalsContact SG-NH2 3.4Å; V191-R195 WeakPolarHBondContact O-CG 3.43Å; V191-R195 PolarHBondContact O-N 3.03Å; L192-R195 PolarHBondContact O-N 3.2Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 3.18Å; R195-E198 PolarHBondContact O-N 3.02Å; R195-N199 WeakPolarHBondContact O-CB 3.46Å; R195-N199 VanDerWaalsContact O-CG 3.25Å; R195-N199 PolarHBondContact O-N 3.06Å; R195-N199 PolarHBondContact O-ND2 3.37Å |
| 196 | S | 93.3 | Very high | 79.2 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -72.8 | -31.2 | -179.3 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | L192 E193 Q200 | L192-S196 PolarHBondContact O-N 3.07Å; E193-S196 PolarHBondContact O-N 3.03Å; E193-S196 VanDerWaalsContact O-N 3.09Å; E193-S196 PolarHBondContact O-OG 3.07Å; S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 2.83Å; S196-Q200 PolarHBondContact O-NE2 3Å |
| 197 | V | 89.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 83.4 Ų | 83.4 | 38% | 0.376 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 169.9 | 174 | 0 | 0 | 0 | 0 | 110.6 | E193 N199 Q200 V201 | E193-V197 WeakPolarHBondContact O-CG2 3.1Å; E193-V197 PolarHBondContact O-N 3.37Å; V197-N199 PolarHBondContact O-N 2.81Å; V197-Q200 PolarHBondContact O-N 3.29Å; V197-Q200 VanDerWaalsContact O-N 3.1Å; V197-V201 WeakPolarHBondContact O-CG2 3.35Å |
| 198 | E | 88.9 | Confident | 73.1 | Confident | 23 Ų | 23 | 92.1 Ų | 92.1 | 11% | 0.107 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 179.7 | 175.7 | 154.8 | -103.8 | 0 | 0 | 112.8 | L124 L125 S126 A166 M194 R195 Q200 V201 | L124-E198 WeakPolarHBondContact CB-OE1 3.47Å; L124-E198 HydrophobicContact CD2-CB 4.21Å; L124-E198 HydrophobicContact CD2-CG 3.79Å; L124-E198 WeakPolarHBondContact CD2-OE1 3.42Å; L125-E198 HydrophobicContact CB-CB 4.43Å; L125-E198 WeakPolarHBondContact CB-OE2 3.41Å; L125-E198 PolarHBondContact N-OE1 2.78Å; L125-E198 VanDerWaalsContact N-OE1 3.16Å; S126-E198 WeakPolarHBondContact CB-OE1 3.39Å; S126-E198 WeakPolarHBondContact CB-OE2 3.38Å; S126-E198 VanDerWaalsContact N-CD 3.32Å; S126-E198 PolarHBondContact N-OE1 3.36Å; S126-E198 PolarHBondContact N-OE2 3.07Å; S126-E198 PolarHBondContact OG-OE1 3.36Å; A166-E198 WeakPolarHBondContact CB-OE2 3.36Å; M194-E198 WeakPolarHBondContact O-CB 3.48Å; M194-E198 PolarHBondContact O-N 3.06Å; R195-E198 PolarHBondContact O-N 3.02Å; E198-Q200 PolarHBondContact O-N 3.29Å; E198-V201 PolarHBondContact O-N 2.88Å; E198-V201 VanDerWaalsContact O-N 3.08Å |
| 199 | N | 81.3 | Confident | 70.1 | Confident | 125 Ų | 125 | 96.8 Ų | 96.8 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.5 | 177.3 | -73.1 | -18.6 | 0 | 0 | 0 | 114.2 | R195 V197 | R195-N199 WeakPolarHBondContact O-CB 3.46Å; R195-N199 VanDerWaalsContact O-CG 3.25Å; R195-N199 PolarHBondContact O-N 3.06Å; R195-N199 PolarHBondContact O-ND2 3.37Å; V197-N199 PolarHBondContact O-N 2.81Å |
| 200 | Q | 71 | Confident | 66.7 | Low | 157 Ų | 157 | 100.2 Ų | 100.2 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 1.9 | 174.8 | -72.2 | 174.5 | 104.1 | 0 | 0 | 113.3 | S196 V197 E198 | S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 2.83Å; S196-Q200 PolarHBondContact O-NE2 3Å; V197-Q200 PolarHBondContact O-N 3.29Å; V197-Q200 VanDerWaalsContact O-N 3.1Å; E198-Q200 PolarHBondContact O-N 3.29Å |
| 201 | V | 59.9 | Low | 63.5 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | | | trans | -107.2 | 8.2 | -176.7 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | L124 V197 E198 P203 | L124-V201 HydrophobicContact CD1-CG1 4.49Å; L124-V201 HydrophobicContact CD2-CB 4.05Å; L124-V201 HydrophobicContact CD2-CG1 3.82Å; L124-V201 HydrophobicContact CG-CG1 4.41Å; V197-V201 WeakPolarHBondContact O-CG2 3.35Å; E198-V201 PolarHBondContact O-N 2.88Å; E198-V201 VanDerWaalsContact O-N 3.08Å; V201-P203 WeakPolarHBondContact O-CD 3.5Å |
| 202 | V | 44 | Very low | 60.4 | Low | 122 Ų | 122 | 114.6 Ų | 114.6 | 74% | 0.739 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -68.4 | 121.1 | 165.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 203 | P | 51.5 | Low | 57.1 | Low | 111 Ų | 111 | 115.9 Ų | 115.9 | 72% | 0.721 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 133.5 | -165 | -20 | 33.6 | 0 | 0 | 0 | 115.9 | V201 | V201-P203 WeakPolarHBondContact O-CD 3.5Š|
| 204 | E | 45.7 | Very low | 54 | Low | 179 Ų | 179 | 116 Ų | 116 | 84% | 0.836 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -65.4 | 160.7 | 139.4 | -77.2 | -69.8 | 138.8 | 0 | 0 | 110.4 | | |
| 205 | D | 30.9 | Very low | 50.9 | Low | 100 Ų | 100 | 119.3 Ų | 119.3 | 54% | 0.535 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 117.3 | -165.9 | -178.9 | 34.4 | 0 | 0 | 0 | 115.2 | R207 | D205-R207 PolarHBondContact O-N 3.18Å; D205-R207 IonicContact OD1-NE 3.94Å; D205-R207 IonicContact OD2-CZ 3.19Å; D205-R207 IonicContact OD2-NE 2.73Å; D205-R207 PolarHBondContact OD2-NE 3.48Å; D205-R207 IonicContact OD2-NH2 2.79Å; D205-R207 PolarHBondContact OD2-NH2 3.03Å |
| 206 | P | 40.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | | | trans | -81.5 | 77.5 | -171.7 | 33.5 | -37.3 | 0 | 0 | 0 | 113.1 | | |
| 207 | R | 34.3 | Very low | 45.2 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | | | trans | -126.4 | 8 | 176.3 | -70.8 | -168.7 | -64.1 | 105 | 10.5 | 116.9 | D205 | D205-R207 PolarHBondContact O-N 3.18Å; D205-R207 IonicContact OD1-NE 3.94Å; D205-R207 IonicContact OD2-CZ 3.19Å; D205-R207 IonicContact OD2-NE 2.73Å; D205-R207 PolarHBondContact OD2-NE 3.48Å; D205-R207 IonicContact OD2-NH2 2.79Å; D205-R207 PolarHBondContact OD2-NH2 3.03Å |
| 208 | F | 34.1 | Very low | 42.2 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | | | trans | -130.1 | 69.8 | 179.1 | -67.5 | -71.4 | 0 | 0 | 0 | 113.8 | | |
| 209 | L | 34 | Very low | 39.3 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | | | trans | -131.9 | 126.5 | 156.4 | -81.2 | -179.9 | 0 | 0 | 0 | 111.7 | | |
| 210 | N | 27.1 | Very low | 36.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | 63.1 | 98.6 | 156.9 | -171.7 | 78 | 0 | 0 | 0 | 119.2 | | |
| 211 | E | 29.9 | Very low | 34.6 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | | -151.4 | 99 | 124.7 | -169.3 | 153.5 | 125.1 | 0 | 0 | 112.2 | | |
| 212 | N | 31.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -143.8 | 59.2 | 166.7 | -77.3 | 127.5 | 0 | 0 | 0 | 112 | | |
| 213 | S | 28 | Very low | 32.3 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -111.1 | 110.1 | 166.3 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 214 | S | 29 | Very low | 31.2 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | -78.8 | 122.5 | -168.2 | -50.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 215 | A | 27.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -156.1 | 153.5 | 155 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 216 | P | 39.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -122.4 | 173.6 | -165.1 | 43.3 | -31.9 | 0 | 0 | 0 | 116.1 | | |
| 217 | V | 29.7 | Very low | 29.5 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | 74.9 | 141.3 | 168.5 | -172.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 218 | A | 27.2 | Very low | 29.3 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | cis | -134.5 | -178.3 | 22.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 219 | H | 28.7 | Very low | 28.9 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -106.4 | 157.8 | -174.8 | -178.3 | 75.3 | 0 | 0 | 0 | 112.3 | | |
| 220 | G | 26.4 | Very low | 28.5 | Very low | 59 Ų | 59 | 134.9 Ų | 134.9 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | | | trans | 153.5 | 82.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 221 | E | 26.6 | Very low | 28.7 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | | 82.8 | 144 | 90.9 | -80.4 | -154.2 | 109.1 | 0 | 0 | 115.1 | | |
| 222 | S | 28.1 | Very low | 29.3 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | cis | -167.9 | 146.1 | -18.3 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 223 | A | 26.5 | Very low | 29.1 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 153.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 224 | R | 28.3 | Very low | 29 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | | | cis | -152.1 | 156.2 | 30.3 | -62.9 | 157.8 | -162.1 | 171.7 | 5.3 | 108 | | |
| 225 | R | 30.3 | Very low | 29.1 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | cis | -161.1 | 132.3 | 1.5 | -125.4 | -163.6 | 179.1 | -154.8 | 2.8 | 107.9 | | |
| 226 | T | 24.5 | Very low | 29.2 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | | | | 52.9 | 136.9 | 111.2 | 67.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 227 | S | 27.6 | Very low | 28.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | cis | -169.6 | 138.7 | 12.7 | 36.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 228 | H | 31 | Very low | 28.8 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | 48.2 | 153.8 | 133.6 | -60.2 | -86.7 | 0 | 0 | 0 | 121 | | |
| 229 | S | 24.9 | Very low | 29.1 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | cis | -151 | 170.2 | 20.5 | -91.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 230 | E | 25.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | cis | -162.1 | 176.7 | -19.7 | -108.5 | 165.1 | 134.3 | 0 | 0 | 110.1 | | |
| 231 | L | 32.3 | Very low | 30.1 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 76% | 0.758 | S | S | * | * | | | trans | -85.7 | -172.2 | 178.9 | -78.2 | 171.7 | 0 | 0 | 0 | 110.9 | | |
| 232 | P | 40.8 | Very low | 30.7 | Very low | 91 Ų | 91 | 143 Ų | 143 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | | | cis | -159.4 | -179.3 | 29.6 | 43 | -17.9 | 0 | 0 | 0 | 122.7 | | |
| 233 | H | 27.6 | Very low | 31 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | 72.8 | 146.9 | 163.3 | -48.2 | -48 | 0 | 0 | 0 | 117.6 | | |
| 234 | T | 25.5 | Very low | 32 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | cis | -136.6 | 146.5 | 17.1 | -54.4 | 0 | 0 | 0 | 0 | 112 | | |
| 235 | E | 32.3 | Very low | 32.8 | Very low | 183 Ų | 183 | 144.1 Ų | 144.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -92.5 | 139.3 | 176.3 | -56.2 | -172.7 | 151.4 | 0 | 0 | 113 | | |
| 236 | L | 29.9 | Very low | 34.2 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | | | trans | -165.2 | 153.2 | 142.8 | -146.3 | 65.4 | 0 | 0 | 0 | 113.8 | | |
| 237 | S | 25.4 | Very low | 35.4 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | 68.1 | 94.2 | 155.5 | -160 | 0 | 0 | 0 | 0 | 120 | | |
| 238 | S | 35.6 | Very low | 36.1 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | | | trans | -31.5 | 160.8 | 149.6 | 56.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 239 | Q | 31.9 | Very low | 37.6 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | 103.1 | 140.7 | 157.9 | -55.2 | -165.9 | 8.4 | 0 | 0 | 118.1 | | |
| 240 | T | 31.9 | Very low | 39.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | | | trans | -87.9 | 175 | -176.7 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 241 | P | 44.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | | | cis | -145.4 | -179.1 | 21.8 | 44.1 | -23.9 | 0 | 0 | 0 | 119 | | |
| 242 | Y | 39.4 | Very low | 42 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 84% | 0.839 | 71% | 0.712 | S | S | * | * | | | trans | 55.3 | 96.4 | 162.7 | -52.4 | -55.6 | 0 | 0 | 0 | 119.3 | | |
| 243 | T | 35.7 | Very low | 42.5 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | | | trans | -123.6 | 99.5 | 152.1 | 60.8 | 0 | 0 | 0 | 0 | 109.2 | N245 | T243-N245 PolarHBondContact O-N 3.02Š|
| 244 | L | 46.2 | Very low | 43.5 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | | | trans | -82.5 | 107.5 | 171.8 | -67.9 | 177.5 | 0 | 0 | 0 | 108.6 | F246 | L244-F246 HydrophobicContact CB-CD2 4.41Å; L244-F246 HydrophobicContact CB-CE2 3.95Å; L244-F246 HydrophobicContact CD1-CE2 4.22Å; L244-F246 HydrophobicContact CD2-CZ 4.44Å; L244-F246 HydrophobicContact CG-CE2 4.49Å |
| 245 | N | 46.8 | Very low | 44.3 | Very low | 153 Ų | 153 | 131 Ų | 131 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | | | trans | -117.2 | 79.2 | -179 | -174.3 | 51.9 | 0 | 0 | 0 | 109.4 | T243 | T243-N245 PolarHBondContact O-N 3.02Š|
| 246 | F | 58.4 | Low | 45 | Very low | 129 Ų | 129 | 131 Ų | 131 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | | | trans | -72.7 | 139.9 | 176.3 | -64.9 | -72.7 | 0 | 0 | 0 | 111 | L244 E250 | L244-F246 HydrophobicContact CB-CD2 4.41Å; L244-F246 HydrophobicContact CB-CE2 3.95Å; L244-F246 HydrophobicContact CD1-CE2 4.22Å; L244-F246 HydrophobicContact CD2-CZ 4.44Å; L244-F246 HydrophobicContact CG-CE2 4.49Å; F246-E250 WeakPolarHBondContact CA-OE2 3.47Å |
| 247 | S | 50.8 | Low | 45.3 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 46% | 0.455 | 71% | 0.709 | S | S | . | * | | | trans | -72.8 | 151.2 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | E249 E250 | S247-E249 PolarHBondContact O-N 3.31Å; S247-E249 VanDerWaalsContact O-N 3.17Å; S247-E250 PolarHBondContact N-OE2 3.3Å; S247-E250 PolarHBondContact O-N 3.27Å |
| 248 | F | 41.5 | Very low | 46.2 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -56.6 | -30.4 | 173.2 | -176.1 | -99.3 | 0 | 0 | 0 | 112.3 | E250 N252 | F248-E250 VanDerWaalsContact C-N 3.35Å; F248-E250 PolarHBondContact O-N 2.97Å; F248-N252 PolarHBondContact O-N 2.78Å |
| 249 | E | 63 | Low | 45.9 | Very low | 131 Ų | 131 | 131 Ų | 131 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -63.8 | -36.9 | 176.8 | -144.2 | 67.8 | -159 | 0 | 0 | 112.7 | S247 N252 | S247-E249 PolarHBondContact O-N 3.31Å; S247-E249 VanDerWaalsContact O-N 3.17Å; E249-N252 WeakPolarHBondContact O-CB 3.15Å; E249-N252 PolarHBondContact O-N 3.29Å |
| 250 | E | 63.3 | Low | 46.2 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 50% | 0.495 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -75.7 | -29.6 | -174.7 | -63.3 | 171.7 | 135.1 | 0 | 0 | 112.2 | F246 S247 F248 N252 T253 | F246-E250 WeakPolarHBondContact CA-OE2 3.47Å; S247-E250 PolarHBondContact N-OE2 3.3Å; S247-E250 PolarHBondContact O-N 3.27Å; F248-E250 VanDerWaalsContact C-N 3.35Å; F248-E250 PolarHBondContact O-N 2.97Å; E250-N252 VanDerWaalsContact C-N 3.35Å; E250-T253 PolarHBondContact O-OG1 3.34Å |
| 251 | L | 60.7 | Low | 46.6 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 59% | 0.592 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.2 | -30.2 | 172 | -72.7 | 170.7 | 0 | 0 | 0 | 112.2 | T253 L254 | L251-T253 VanDerWaalsContact C-N 3.27Å; L251-T253 PolarHBondContact O-N 2.85Å; L251-L254 PolarHBondContact O-N 2.97Å |
| 252 | N | 51.9 | Low | 46.6 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.3 | -25.9 | -178.5 | -127.3 | 1 | 0 | 0 | 0 | 112.3 | F248 E249 E250 L254 | F248-N252 PolarHBondContact O-N 2.78Å; E249-N252 WeakPolarHBondContact O-CB 3.15Å; E249-N252 PolarHBondContact O-N 3.29Å; E250-N252 VanDerWaalsContact C-N 3.35Å; N252-L254 VanDerWaalsContact C-N 3.28Å; N252-L254 PolarHBondContact O-N 2.75Å |
| 253 | T | 49.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -3.4 | 176.2 | 35.9 | 0 | 0 | 0 | 0 | 115.3 | E250 L251 | E250-T253 PolarHBondContact O-OG1 3.34Å; L251-T253 VanDerWaalsContact C-N 3.27Å; L251-T253 PolarHBondContact O-N 2.85Å |
| 254 | L | 50.3 | Low | 46.2 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 15.8 | 176.5 | -66.1 | 172.8 | 0 | 0 | 0 | 113.5 | L251 N252 | L251-L254 PolarHBondContact O-N 2.97Å; N252-L254 VanDerWaalsContact C-N 3.28Å; N252-L254 PolarHBondContact O-N 2.75Å |
| 255 | G | 41.3 | Very low | 45.4 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | | | trans | -68 | 129.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 256 | L | 46.2 | Very low | 45 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 96% | 0.958 | 69% | 0.694 | S | S | * | * | | | trans | -65.6 | 130.9 | 171.4 | -71.1 | 161.2 | 0 | 0 | 0 | 111.1 | | |
| 257 | D | 36.7 | Very low | 43.7 | Very low | 162 Ų | 162 | 124.7 Ų | 124.7 | 87% | 0.866 | 70% | 0.698 | S | S | * | * | | | trans | -125.7 | 142.8 | 162.4 | -171.7 | 27.7 | 0 | 0 | 0 | 110.5 | | |
| 258 | E | 44.5 | Very low | 42.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | | | trans | -105.6 | 105.1 | -167.3 | -175.5 | 176.2 | 125.7 | 0 | 0 | 111.9 | R262 | E258-R262 IonicContact OE1-CZ 3.19Å; E258-R262 IonicContact OE1-NH1 3.03Å; E258-R262 PolarHBondContact OE1-NH1 3.27Å; E258-R262 IonicContact OE1-NH2 3.42Å; E258-R262 PolarHBondContact OE1-NH2 3.43Å; E258-R262 IonicContact OE2-NH2 2.89Å |
| 259 | G | 29.6 | Very low | 42.5 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -112.8 | 20.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 260 | A | 38 | Very low | 40.9 | Very low | 75 Ų | 75 | 132 Ų | 132 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | | | trans | -102.1 | 112.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R262 | A260-R262 PolarHBondContact O-N 2.88Š|
| 261 | P | 39.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -70.9 | 128.7 | 179.8 | 28 | -33.6 | 0 | 0 | 0 | 111.9 | | |
| 262 | R | 44.3 | Very low | 38.3 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | trans | -97.2 | 133.4 | -175.8 | -65.5 | -179.5 | 174.6 | 97 | 4.3 | 113.2 | E258 A260 | E258-R262 IonicContact OE1-CZ 3.19Å; E258-R262 IonicContact OE1-NH1 3.03Å; E258-R262 PolarHBondContact OE1-NH1 3.27Å; E258-R262 IonicContact OE1-NH2 3.42Å; E258-R262 PolarHBondContact OE1-NH2 3.43Å; E258-R262 IonicContact OE2-NH2 2.89Å; A260-R262 PolarHBondContact O-N 2.88Å |
| 263 | H | 34.1 | Very low | 37.9 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | | | trans | -131.7 | 81.3 | 152.4 | -54 | -44.3 | 0 | 0 | 0 | 107.5 | | |
| 264 | S | 32.8 | Very low | 37.4 | Very low | 88 Ų | 88 | 149.3 Ų | 149.3 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | | 73.3 | 95.7 | 91.6 | 69.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 265 | N | 29.7 | Very low | 36.9 | Very low | 151 Ų | 151 | 148.3 Ų | 148.3 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | | 58.4 | 117.9 | 125.1 | -49.2 | -32.2 | 0 | 0 | 0 | 118 | | |
| 266 | L | 39 | Very low | 37 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | | -170.7 | 166.3 | 69.4 | -84 | 144.8 | 0 | 0 | 0 | 108.2 | | |
| 267 | S | 31 | Very low | 36.7 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | cis | -159.6 | 155.6 | 0.7 | 39.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 268 | W | 30.2 | Very low | 37.5 | Very low | 232 Ų | 232 | 146.6 Ų | 146.6 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | | | trans | -12.5 | 144.8 | 156.3 | -39.4 | 86.7 | 0 | 0 | 0 | 117.5 | | |
| 269 | Q | 36.1 | Very low | 37.9 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | cis | -142.3 | 166.4 | 20.7 | -53.8 | 164.3 | -5.8 | 0 | 0 | 108.3 | | |
| 270 | S | 29.4 | Very low | 38.7 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | cis | -160.9 | 145.7 | 33.8 | -64 | 0 | 0 | 0 | 0 | 113.1 | T272 | S270-T272 PolarHBondContact O-N 3.19Š|
| 271 | Q | 37.2 | Very low | 39.7 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | 41.1 | 68.7 | 145.8 | -157.2 | 140.1 | -27.2 | 0 | 0 | 121.1 | | |
| 272 | T | 32.8 | Very low | 40.9 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | trans | -98.4 | 136.9 | 151.4 | -60.8 | 0 | 0 | 0 | 0 | 109.5 | S270 R274 | S270-T272 PolarHBondContact O-N 3.19Å; T272-R274 PolarHBondContact O-N 3.24Å; T272-R274 VanDerWaalsContact O-N 3.12Å |
| 273 | R | 43 | Very low | 42.3 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | -62.4 | 112.6 | 172.9 | -67.5 | -178.6 | -177.4 | -91.9 | 2.1 | 109.1 | | |
| 274 | R | 40.5 | Very low | 44.3 | Very low | 239 Ų | 239 | 142.2 Ų | 142.2 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.3 | 168 | -75.4 | -171.2 | 175 | -170.7 | -1 | 109.1 | T272 | T272-R274 PolarHBondContact O-N 3.24Å; T272-R274 VanDerWaalsContact O-N 3.12Å |
| 275 | T | 39.5 | Very low | 46.6 | Very low | 122 Ų | 122 | 144 Ų | 144 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 132.8 | 159.6 | 46.4 | 0 | 0 | 0 | 0 | 108.8 | S277 | T275-S277 PolarHBondContact O-N 2.63Š|
| 276 | P | 43.4 | Very low | 49 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 60% | 0.604 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 120.6 | 173 | 27.6 | -32.4 | 0 | 0 | 0 | 108.9 | L278 | P276-L278 PolarHBondContact O-N 3.38Š|
| 277 | S | 38.3 | Very low | 51.1 | Low | 96 Ų | 96 | 133.9 Ų | 133.9 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 131.9 | 170.1 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | T275 S279 | T275-S277 PolarHBondContact O-N 2.63Å; S277-S279 PolarHBondContact O-N 2.97Å |
| 278 | L | 55 | Low | 53.9 | Low | 182 Ų | 182 | 132.8 Ų | 132.8 | 95% | 0.953 | 69% | 0.691 | S | S | * | * | | | trans | -74.6 | 40 | 176.9 | -64.4 | 175.6 | 0 | 0 | 0 | 112.8 | P276 | P276-L278 PolarHBondContact O-N 3.38Š|
| 279 | S | 51.9 | Low | 56.9 | Low | 81 Ų | 81 | 127.2 Ų | 127.2 | 57% | 0.566 | 67% | 0.674 | S | S | * | * | | | trans | -98.7 | 115 | 178.2 | 52 | 0 | 0 | 0 | 0 | 109.7 | S277 | S277-S279 PolarHBondContact O-N 2.97Š|
| 280 | S | 47.6 | Very low | 59.5 | Low | 83 Ų | 83 | 123.1 Ų | 123.1 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | | | trans | 73.2 | 90.7 | 178.3 | -57 | 0 | 0 | 0 | 0 | 116.1 | N282 S283 | S280-N282 PolarHBondContact O-N 3.09Å; S280-S283 WeakPolarHBondContact CB-OG 3.36Å; S280-S283 WeakPolarHBondContact O-CB 3.25Å; S280-S283 PolarHBondContact O-N 2.97Å; S280-S283 PolarHBondContact O-OG 2.92Å |
| 281 | L | 58 | Low | 62.6 | Low | 159 Ų | 159 | 121.2 Ų | 121.2 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -13.5 | 165.5 | -68.9 | 169.2 | 0 | 0 | 0 | 114.4 | | |
| 282 | N | 64.8 | Low | 65.3 | Low | 161 Ų | 161 | 118.1 Ų | 118.1 | 86% | 0.861 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 12 | 178.1 | -164.2 | 44.9 | 0 | 0 | 0 | 113.2 | S280 | S280-N282 PolarHBondContact O-N 3.09Š|
| 283 | S | 75.1 | Confident | 68.3 | Low | 41 Ų | 41 | 117.1 Ų | 117.1 | 29% | 0.287 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -75.7 | 144.2 | 176.6 | -54.1 | 0 | 0 | 0 | 0 | 111 | S280 D285 S286 S287 | S280-S283 WeakPolarHBondContact CB-OG 3.36Å; S280-S283 WeakPolarHBondContact O-CB 3.25Å; S280-S283 PolarHBondContact O-N 2.97Å; S280-S283 PolarHBondContact O-OG 2.92Å; S283-D285 VanDerWaalsContact C-N 3.27Å; S283-D285 PolarHBondContact O-N 3.32Å; S283-S286 WeakPolarHBondContact O-CB 3.45Å; S283-S286 PolarHBondContact O-N 3.21Å; S283-S287 PolarHBondContact O-N 3.35Å |
| 284 | Q | 75.1 | Confident | 70.8 | Confident | 159 Ų | 159 | 108.8 Ų | 108.8 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.1 | -36.1 | 179.5 | -173.8 | 171.2 | -19.7 | 0 | 0 | 112.2 | S287 I288 | Q284-S287 WeakPolarHBondContact O-CB 3.28Å; Q284-S287 PolarHBondContact O-N 3.14Å; Q284-I288 HydrophobicContact CG-CD1 4.47Å; Q284-I288 WeakPolarHBondContact O-CG1 3.45Å; Q284-I288 PolarHBondContact O-N 3.09Å; Q284-I288 VanDerWaalsContact O-N 3.07Å |
| 285 | D | 80.6 | Confident | 73.4 | Confident | 126 Ų | 126 | 101.8 Ų | 101.8 | 67% | 0.674 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -37.7 | 172.6 | -60.9 | -78.9 | 0 | 0 | 0 | 112.8 | S283 I288 E289 | S283-D285 VanDerWaalsContact C-N 3.27Å; S283-D285 PolarHBondContact O-N 3.32Å; D285-I288 PolarHBondContact O-N 3.1Å; D285-E289 WeakPolarHBondContact O-CB 3.47Å; D285-E289 PolarHBondContact O-N 3.48Å |
| 286 | S | 79.9 | Confident | 76.2 | Confident | 27 Ų | 27 | 102.3 Ų | 102.3 | 19% | 0.189 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -66.3 | -37 | 174.4 | -55 | 0 | 0 | 0 | 0 | 111.8 | S283 I288 E289 I290 | S283-S286 WeakPolarHBondContact O-CB 3.45Å; S283-S286 PolarHBondContact O-N 3.21Å; S286-I288 VanDerWaalsContact C-N 3.35Å; S286-E289 PolarHBondContact O-N 2.83Å; S286-I290 WeakPolarHBondContact O-CB 3.37Å; S286-I290 WeakPolarHBondContact O-CD1 3.49Å; S286-I290 WeakPolarHBondContact O-CG1 3.4Å; S286-I290 PolarHBondContact O-N 3.47Å |
| 287 | S | 83.1 | Confident | 78.8 | Confident | 70 Ų | 70 | 102 Ų | 102 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.6 | -44.5 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | S283 Q284 E289 I290 S291 | S283-S287 PolarHBondContact O-N 3.35Å; Q284-S287 WeakPolarHBondContact O-CB 3.28Å; Q284-S287 PolarHBondContact O-N 3.14Å; S287-E289 VanDerWaalsContact C-N 3.33Å; S287-E289 PolarHBondContact O-N 2.89Å; S287-I290 PolarHBondContact O-N 3.34Å; S287-S291 PolarHBondContact O-N 2.95Å; S287-S291 PolarHBondContact O-OG 2.83Å |
| 288 | I | 91.3 | Very high | 81.6 | Confident | 72 Ų | 72 | 102 Ų | 102 | 37% | 0.369 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -36.3 | 175.8 | -67.1 | 164.3 | 0 | 0 | 0 | 111.8 | Q284 D285 S286 K292 | Q284-I288 HydrophobicContact CG-CD1 4.47Å; Q284-I288 WeakPolarHBondContact O-CG1 3.45Å; Q284-I288 PolarHBondContact O-N 3.09Å; Q284-I288 VanDerWaalsContact O-N 3.07Å; D285-I288 PolarHBondContact O-N 3.1Å; S286-I288 VanDerWaalsContact C-N 3.35Å; I288-K292 HydrophobicContact CG2-CD 4.18Å; I288-K292 WeakPolarHBondContact O-CD 3.43Å; I288-K292 VanDerWaalsContact O-CG 3.28Å; I288-K292 WeakPolarHBondContact O-CG 3.49Å; I288-K292 PolarHBondContact O-N 3.34Å; I288-K292 VanDerWaalsContact O-N 3.09Å |
| 289 | E | 92.6 | Very high | 83.6 | Confident | 114 Ų | 114 | 95.5 Ų | 95.5 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 175.7 | -172.6 | 164.3 | -137.3 | 0 | 0 | 112.4 | D285 S286 S287 K292 L293 | D285-E289 WeakPolarHBondContact O-CB 3.47Å; D285-E289 PolarHBondContact O-N 3.48Å; S286-E289 PolarHBondContact O-N 2.83Å; S287-E289 VanDerWaalsContact C-N 3.33Å; S287-E289 PolarHBondContact O-N 2.89Å; E289-K292 PolarHBondContact O-N 2.7Å; E289-L293 WeakPolarHBondContact O-CB 3.44Å; E289-L293 PolarHBondContact O-N 3.47Å |
| 290 | I | 91.2 | Very high | 85.7 | Confident | 91 Ų | 91 | 97.4 Ų | 97.4 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 173.8 | -70.3 | 162.4 | 0 | 0 | 0 | 110.8 | S286 S287 L293 T294 | S286-I290 WeakPolarHBondContact O-CB 3.37Å; S286-I290 WeakPolarHBondContact O-CD1 3.49Å; S286-I290 WeakPolarHBondContact O-CG1 3.4Å; S286-I290 PolarHBondContact O-N 3.47Å; S287-I290 PolarHBondContact O-N 3.34Å; I290-L293 PolarHBondContact O-N 2.91Å; I290-T294 WeakPolarHBondContact O-CB 3.24Å; I290-T294 PolarHBondContact O-N 3.38Å; I290-T294 PolarHBondContact O-OG1 3.14Å |
| 291 | S | 93.6 | Very high | 88.1 | Confident | 60 Ų | 60 | 101.2 Ų | 101.2 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | S287 L293 T294 D295 | S287-S291 PolarHBondContact O-N 2.95Å; S287-S291 PolarHBondContact O-OG 2.83Å; S291-L293 VanDerWaalsContact C-N 3.29Å; S291-L293 PolarHBondContact O-N 3.21Å; S291-T294 CarbonylContact O-C 3.55Å; S291-T294 WeakPolarHBondContact O-CA 3.39Å; S291-T294 WeakPolarHBondContact O-CB 3.37Å; S291-T294 PolarHBondContact O-N 3.19Å; S291-D295 PolarHBondContact O-N 3.41Å |
| 292 | K | 95.1 | Very high | 90 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -36.2 | 178.2 | -72.4 | 165.4 | -176.8 | 169.2 | 0 | 113.4 | I288 E289 K296 | I288-K292 HydrophobicContact CG2-CD 4.18Å; I288-K292 WeakPolarHBondContact O-CD 3.43Å; I288-K292 VanDerWaalsContact O-CG 3.28Å; I288-K292 WeakPolarHBondContact O-CG 3.49Å; I288-K292 PolarHBondContact O-N 3.34Å; I288-K292 VanDerWaalsContact O-N 3.09Å; E289-K292 PolarHBondContact O-N 2.7Å; K292-K296 WeakPolarHBondContact O-CB 3.36Å; K292-K296 PolarHBondContact O-N 3.05Å |
| 293 | L | 94.9 | Very high | 91.5 | Very high | 108 Ų | 108 | 97.4 Ų | 97.4 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 174.5 | -179.6 | 60.4 | 0 | 0 | 0 | 110.9 | E289 I290 S291 K296 V297 | E289-L293 WeakPolarHBondContact O-CB 3.44Å; E289-L293 PolarHBondContact O-N 3.47Å; I290-L293 PolarHBondContact O-N 2.91Å; S291-L293 VanDerWaalsContact C-N 3.29Å; S291-L293 PolarHBondContact O-N 3.21Å; L293-K296 PolarHBondContact O-N 2.82Å; L293-V297 HydrophobicContact CD1-CG2 4.5Å; L293-V297 WeakPolarHBondContact O-CG2 3.32Å; L293-V297 PolarHBondContact O-N 3.28Å |
| 294 | T | 94.9 | Very high | 92.6 | Very high | 65 Ų | 65 | 98.2 Ų | 98.2 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 175.2 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | I290 S291 K296 V297 Q298 | I290-T294 WeakPolarHBondContact O-CB 3.24Å; I290-T294 PolarHBondContact O-N 3.38Å; I290-T294 PolarHBondContact O-OG1 3.14Å; S291-T294 CarbonylContact O-C 3.55Å; S291-T294 WeakPolarHBondContact O-CA 3.39Å; S291-T294 WeakPolarHBondContact O-CB 3.37Å; S291-T294 PolarHBondContact O-N 3.19Å; T294-K296 VanDerWaalsContact C-N 3.32Å; T294-K296 PolarHBondContact O-N 3Å; T294-V297 PolarHBondContact O-N 3.23Å; T294-Q298 WeakPolarHBondContact O-CB 3.14Å; T294-Q298 WeakPolarHBondContact O-CG 3.34Å; T294-Q298 PolarHBondContact O-N 2.88Å |
| 295 | D | 96.3 | Very high | 93.6 | Very high | 93 Ų | 93 | 96.7 Ų | 96.7 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 175.6 | -62.5 | -31.2 | 0 | 0 | 0 | 111.2 | S291 Q298 A299 | S291-D295 PolarHBondContact O-N 3.41Å; D295-Q298 PolarHBondContact O-N 3.29Å; D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 2.93Å |
| 296 | K | 97.4 | Very high | 94.4 | Very high | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 176.5 | -173.9 | -172 | 171.5 | -166 | 0 | 111.6 | K292 L293 T294 Q298 A299 E300 | K292-K296 WeakPolarHBondContact O-CB 3.36Å; K292-K296 PolarHBondContact O-N 3.05Å; L293-K296 PolarHBondContact O-N 2.82Å; T294-K296 VanDerWaalsContact C-N 3.32Å; T294-K296 PolarHBondContact O-N 3Å; K296-Q298 VanDerWaalsContact C-N 3.32Å; K296-Q298 PolarHBondContact O-N 3.34Å; K296-A299 PolarHBondContact O-N 2.85Å; K296-E300 WeakPolarHBondContact O-CB 3.25Å; K296-E300 PolarHBondContact O-N 3.13Å |
| 297 | V | 97.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 101.7 Ų | 101.7 | 52% | 0.521 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L293 T294 Y301 | L293-V297 HydrophobicContact CD1-CG2 4.5Å; L293-V297 WeakPolarHBondContact O-CG2 3.32Å; L293-V297 PolarHBondContact O-N 3.28Å; T294-V297 PolarHBondContact O-N 3.23Å; V297-Y301 WeakPolarHBondContact O-CB 3.45Å; V297-Y301 PolarHBondContact O-N 3.07Å |
| 298 | Q | 97.4 | Very high | 95.8 | Very high | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 173.1 | -72.8 | -174.1 | 27.3 | 0 | 0 | 112.6 | T294 D295 K296 R302 | T294-Q298 WeakPolarHBondContact O-CB 3.14Å; T294-Q298 WeakPolarHBondContact O-CG 3.34Å; T294-Q298 PolarHBondContact O-N 2.88Å; D295-Q298 PolarHBondContact O-N 3.29Å; K296-Q298 VanDerWaalsContact C-N 3.32Å; K296-Q298 PolarHBondContact O-N 3.34Å; Q298-R302 WeakPolarHBondContact O-CB 3.11Å; Q298-R302 VanDerWaalsContact O-CG 3.25Å; Q298-R302 WeakPolarHBondContact O-CG 3.41Å; Q298-R302 PolarHBondContact O-N 3.36Å |
| 299 | A | 96.1 | Very high | 96 | Very high | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | D295 K296 Y301 R302 D303 | D295-A299 WeakPolarHBondContact O-CB 3.48Å; D295-A299 PolarHBondContact O-N 2.93Å; K296-A299 PolarHBondContact O-N 2.85Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 2.79Å; A299-R302 CarbonylContact O-C 3.32Å; A299-R302 PolarHBondContact O-N 3.03Å; A299-R302 VanDerWaalsContact O-N 3.1Å; A299-D303 WeakPolarHBondContact O-CB 3.46Å; A299-D303 VanDerWaalsContact O-CG 3.29Å; A299-D303 PolarHBondContact O-N 3.3Å; A299-D303 VanDerWaalsContact O-OD1 3.12Å |
| 300 | E | 96.7 | Very high | 96.1 | Very high | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.2 | -41 | 177.9 | -166.6 | 167.3 | 163.7 | 0 | 0 | 111.8 | K296 D303 A304 | K296-E300 WeakPolarHBondContact O-CB 3.25Å; K296-E300 PolarHBondContact O-N 3.13Å; E300-D303 PolarHBondContact O-N 3.33Å; E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 3.4Å |
| 301 | Y | 97.8 | Very high | 96.2 | Very high | 163 Ų | 163 | 102.6 Ų | 102.6 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 171.8 | 179.3 | -94 | 0 | 0 | 0 | 112.9 | V297 A299 D303 Y305 | V297-Y301 WeakPolarHBondContact O-CB 3.45Å; V297-Y301 PolarHBondContact O-N 3.07Å; A299-Y301 VanDerWaalsContact C-N 3.32Å; A299-Y301 PolarHBondContact O-N 2.79Å; Y301-D303 VanDerWaalsContact C-N 3.26Å; Y301-D303 PolarHBondContact O-N 3.48Å; Y301-Y305 VanDerWaalsContact O-CB 3.27Å; Y301-Y305 WeakPolarHBondContact O-CB 3.47Å; Y301-Y305 PolarHBondContact O-N 3.12Å |
| 302 | R | 97.3 | Very high | 95.9 | Very high | 161 Ų | 161 | 103.7 Ų | 103.7 | 61% | 0.608 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -33.6 | 176.1 | -76.4 | 173.8 | -179.8 | -167.6 | 2 | 111.9 | Q298 A299 R306 | Q298-R302 WeakPolarHBondContact O-CB 3.11Å; Q298-R302 VanDerWaalsContact O-CG 3.25Å; Q298-R302 WeakPolarHBondContact O-CG 3.41Å; Q298-R302 PolarHBondContact O-N 3.36Å; A299-R302 CarbonylContact O-C 3.32Å; A299-R302 PolarHBondContact O-N 3.03Å; A299-R302 VanDerWaalsContact O-N 3.1Å; R302-R306 WeakPolarHBondContact O-CG 3.25Å; R302-R306 PolarHBondContact O-N 3.07Å; R302-R306 VanDerWaalsContact O-N 3.08Å; R302-R306 PolarHBondContact O-NH1 3.01Å |
| 303 | D | 97.6 | Very high | 95.5 | Very high | 80 Ų | 80 | 101 Ų | 101 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.5 | -49.4 | -179.5 | -76 | 22.2 | 0 | 0 | 0 | 110.4 | A299 E300 Y301 Y305 R306 E307 | A299-D303 WeakPolarHBondContact O-CB 3.46Å; A299-D303 VanDerWaalsContact O-CG 3.29Å; A299-D303 PolarHBondContact O-N 3.3Å; A299-D303 VanDerWaalsContact O-OD1 3.12Å; E300-D303 PolarHBondContact O-N 3.33Å; Y301-D303 VanDerWaalsContact C-N 3.26Å; Y301-D303 PolarHBondContact O-N 3.48Å; D303-Y305 VanDerWaalsContact C-N 3.27Å; D303-Y305 PolarHBondContact O-N 2.84Å; D303-R306 PolarHBondContact O-N 2.9Å; D303-R306 VanDerWaalsContact O-N 3.14Å; D303-R306 IonicContact OD1-CZ 3.5Å; D303-R306 IonicContact OD1-NH1 2.71Å; D303-R306 PolarHBondContact OD1-NH1 3.39Å; D303-R306 IonicContact OD1-NH2 3.13Å; D303-R306 PolarHBondContact OD1-NH2 3.16Å; D303-R306 IonicContact OD2-NH2 2.71Å; D303-R306 PolarHBondContact OD2-NH2 2.88Å; D303-E307 PolarHBondContact O-N 3.13Å |
| 304 | A | 97.3 | Very high | 94.6 | Very high | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E300 E307 Y308 | E300-A304 WeakPolarHBondContact O-CB 3.35Å; E300-A304 PolarHBondContact O-N 3.4Å; A304-E307 PolarHBondContact O-N 3.24Å; A304-Y308 WeakPolarHBondContact O-CB 3.46Å; A304-Y308 PolarHBondContact O-N 2.96Å |
| 305 | Y | 97.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 106.3 Ų | 106.3 | 50% | 0.498 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 175.8 | -171.3 | -108.7 | 0 | 0 | 0 | 112.8 | Y301 D303 I309 | Y301-Y305 VanDerWaalsContact O-CB 3.27Å; Y301-Y305 WeakPolarHBondContact O-CB 3.47Å; Y301-Y305 PolarHBondContact O-N 3.12Å; D303-Y305 VanDerWaalsContact C-N 3.27Å; D303-Y305 PolarHBondContact O-N 2.84Å; Y305-I309 HydrophobicContact CD1-CD1 3.88Å; Y305-I309 HydrophobicContact CE1-CD1 3.5Å; Y305-I309 VanDerWaalsContact CE1-CD1 3.5Å; Y305-I309 HydrophobicContact CE1-CG1 4.45Å; Y305-I309 WeakPolarHBondContact O-CG1 3.34Å; Y305-I309 PolarHBondContact O-N 2.79Å |
| 306 | R | 96.8 | Very high | 91.9 | Very high | 142 Ų | 142 | 110.6 Ų | 110.6 | 54% | 0.536 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 171.1 | -72.9 | -167.2 | -44 | -74.8 | 9.9 | 111.7 | R302 D303 I309 A310 | R302-R306 WeakPolarHBondContact O-CG 3.25Å; R302-R306 PolarHBondContact O-N 3.07Å; R302-R306 VanDerWaalsContact O-N 3.08Å; R302-R306 PolarHBondContact O-NH1 3.01Å; D303-R306 PolarHBondContact O-N 2.9Å; D303-R306 VanDerWaalsContact O-N 3.14Å; D303-R306 IonicContact OD1-CZ 3.5Å; D303-R306 IonicContact OD1-NH1 2.71Å; D303-R306 PolarHBondContact OD1-NH1 3.39Å; D303-R306 IonicContact OD1-NH2 3.13Å; D303-R306 PolarHBondContact OD1-NH2 3.16Å; D303-R306 IonicContact OD2-NH2 2.71Å; D303-R306 PolarHBondContact OD2-NH2 2.88Å; R306-I309 PolarHBondContact O-N 3.01Å; R306-A310 PolarHBondContact O-N 3.01Å |
| 307 | E | 95.8 | Very high | 90.1 | Very high | 115 Ų | 115 | 107 Ų | 107 | 54% | 0.537 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.7 | -161.2 | -167.6 | 148.3 | 0 | 0 | 111.3 | D303 A304 I309 A310 Q311 | D303-E307 PolarHBondContact O-N 3.13Å; A304-E307 PolarHBondContact O-N 3.24Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 3.47Å; E307-A310 CarbonylContact O-C 3.52Å; E307-A310 WeakPolarHBondContact O-CA 3.11Å; E307-A310 WeakPolarHBondContact O-CB 3.29Å; E307-A310 PolarHBondContact O-N 2.9Å; E307-Q311 HydrophobicContact CG-CG 4.5Å; E307-Q311 WeakPolarHBondContact O-CG 3.3Å; E307-Q311 PolarHBondContact O-N 2.89Å; E307-Q311 PolarHBondContact OE1-NE2 3.29Å |
| 308 | Y | 96.1 | Very high | 87.5 | Confident | 127 Ų | 127 | 105.7 Ų | 105.7 | 50% | 0.498 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 174.3 | 173 | -103.1 | 0 | 0 | 0 | 112 | A304 A310 Q311 M312 | A304-Y308 WeakPolarHBondContact O-CB 3.46Å; A304-Y308 PolarHBondContact O-N 2.96Å; Y308-A310 VanDerWaalsContact C-N 3.33Å; Y308-A310 PolarHBondContact O-N 3.06Å; Y308-Q311 PolarHBondContact O-N 3.4Å; Y308-M312 HydrophobicContact CD1-CG 4.44Å; Y308-M312 HydrophobicContact CD2-CG 4.07Å; Y308-M312 HydrophobicContact CE1-CG 4.01Å; Y308-M312 HydrophobicContact CE2-CG 3.6Å; Y308-M312 HydrophobicContact CE2-SD 3.98Å; Y308-M312 HydrophobicContact CG-CG 4.46Å; Y308-M312 WeakPolarHBondContact O-CB 3.44Å; Y308-M312 WeakPolarHBondContact O-CG 3.4Å; Y308-M312 PolarHBondContact O-N 2.81Å |
| 309 | I | 95.4 | Very high | 85.3 | Confident | 86 Ų | 86 | 108.7 Ų | 108.7 | 44% | 0.441 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.3 | -41.7 | 173.7 | -71 | 168.4 | 0 | 0 | 0 | 111.1 | Y305 R306 E307 M312 S313 | Y305-I309 HydrophobicContact CD1-CD1 3.88Å; Y305-I309 HydrophobicContact CE1-CD1 3.5Å; Y305-I309 VanDerWaalsContact CE1-CD1 3.5Å; Y305-I309 HydrophobicContact CE1-CG1 4.45Å; Y305-I309 WeakPolarHBondContact O-CG1 3.34Å; Y305-I309 PolarHBondContact O-N 2.79Å; R306-I309 PolarHBondContact O-N 3.01Å; E307-I309 VanDerWaalsContact C-N 3.32Å; E307-I309 PolarHBondContact O-N 3.47Å; I309-M312 PolarHBondContact O-N 3.46Å; I309-S313 WeakPolarHBondContact O-CB 3.44Å; I309-S313 PolarHBondContact O-N 2.99Å |
| 310 | A | 94.6 | Very high | 83 | Confident | 49 Ų | 49 | 109.8 Ų | 109.8 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.7 | -34 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R306 E307 Y308 Q314 | R306-A310 PolarHBondContact O-N 3.01Å; E307-A310 CarbonylContact O-C 3.52Å; E307-A310 WeakPolarHBondContact O-CA 3.11Å; E307-A310 WeakPolarHBondContact O-CB 3.29Å; E307-A310 PolarHBondContact O-N 2.9Å; Y308-A310 VanDerWaalsContact C-N 3.33Å; Y308-A310 PolarHBondContact O-N 3.06Å; A310-Q314 WeakPolarHBondContact O-CG 3.16Å; A310-Q314 PolarHBondContact O-N 3.27Å; A310-Q314 PolarHBondContact O-NE2 3.32Å |
| 311 | Q | 93.9 | Very high | 80.3 | Confident | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.4 | -46.7 | 173.6 | -68.9 | 178.6 | 14.7 | 0 | 0 | 111.2 | E307 Y308 Q314 L315 | E307-Q311 HydrophobicContact CG-CG 4.5Å; E307-Q311 WeakPolarHBondContact O-CG 3.3Å; E307-Q311 PolarHBondContact O-N 2.89Å; E307-Q311 PolarHBondContact OE1-NE2 3.29Å; Y308-Q311 PolarHBondContact O-N 3.4Å; Q311-Q314 PolarHBondContact O-N 3.3Å; Q311-L315 PolarHBondContact O-N 3.2Å |
| 312 | M | 87.9 | Confident | 78 | Confident | 84 Ų | 84 | 107.4 Ų | 107.4 | 41% | 0.414 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.9 | -35.9 | 178.5 | -67.3 | -58.1 | -64.1 | 0 | 0 | 112.6 | Y308 I309 Q314 L315 E316 | Y308-M312 HydrophobicContact CD1-CG 4.44Å; Y308-M312 HydrophobicContact CD2-CG 4.07Å; Y308-M312 HydrophobicContact CE1-CG 4.01Å; Y308-M312 HydrophobicContact CE2-CG 3.6Å; Y308-M312 HydrophobicContact CE2-SD 3.98Å; Y308-M312 HydrophobicContact CG-CG 4.46Å; Y308-M312 WeakPolarHBondContact O-CB 3.44Å; Y308-M312 WeakPolarHBondContact O-CG 3.4Å; Y308-M312 PolarHBondContact O-N 2.81Å; I309-M312 PolarHBondContact O-N 3.46Å; M312-Q314 VanDerWaalsContact C-N 3.29Å; M312-Q314 PolarHBondContact O-N 2.71Å; M312-L315 HydrophobicContact CE-CD2 4.42Å; M312-L315 WeakPolarHBondContact O-CA 3.21Å; M312-L315 WeakPolarHBondContact O-CB 3.4Å; M312-L315 PolarHBondContact O-N 2.98Å; M312-E316 PolarHBondContact O-N 3.41Å |
| 313 | S | 85.7 | Confident | 75.4 | Confident | 77 Ų | 77 | 105.9 Ų | 105.9 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.5 | -37.3 | 173.6 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | I309 L315 G317 | I309-S313 WeakPolarHBondContact O-CB 3.44Å; I309-S313 PolarHBondContact O-N 2.99Å; S313-L315 PolarHBondContact O-N 3.33Å; S313-G317 PolarHBondContact O-N 2.8Å |
| 314 | Q | 76.6 | Confident | 72.9 | Confident | 150 Ų | 150 | 110 Ų | 110 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.9 | -17.2 | 173.2 | -73 | 169.2 | 92.6 | 0 | 0 | 113.7 | A310 Q311 M312 | A310-Q314 WeakPolarHBondContact O-CG 3.16Å; A310-Q314 PolarHBondContact O-N 3.27Å; A310-Q314 PolarHBondContact O-NE2 3.32Å; Q311-Q314 PolarHBondContact O-N 3.3Å; M312-Q314 VanDerWaalsContact C-N 3.29Å; M312-Q314 PolarHBondContact O-N 2.71Å |
| 315 | L | 72.1 | Confident | 70 | Confident | 136 Ų | 136 | 112.9 Ų | 112.9 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -92.6 | -33.1 | 178 | -162.6 | 68.9 | 0 | 0 | 0 | 112.3 | Q311 M312 S313 | Q311-L315 PolarHBondContact O-N 3.2Å; M312-L315 HydrophobicContact CE-CD2 4.42Å; M312-L315 WeakPolarHBondContact O-CA 3.21Å; M312-L315 WeakPolarHBondContact O-CB 3.4Å; M312-L315 PolarHBondContact O-N 2.98Å; S313-L315 PolarHBondContact O-N 3.33Å |
| 316 | E | 62.7 | Low | 66.8 | Low | 182 Ų | 182 | 110 Ų | 110 | 85% | 0.85 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -82.1 | -23.4 | 173.4 | -164.9 | 164.1 | -146.3 | 0 | 0 | 112.4 | M312 G318 | M312-E316 PolarHBondContact O-N 3.41Å; E316-G318 PolarHBondContact O-N 3.13Å |
| 317 | G | 58.7 | Low | 64.2 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -68 | 66.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S313 | S313-G317 PolarHBondContact O-N 2.8Š|
| 318 | G | 44.1 | Very low | 61.2 | Low | 58 Ų | 58 | 115.2 Ų | 115.2 | 60% | 0.598 | 69% | 0.69 | S | S | * | * | | | trans | -55.7 | 152.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E316 G320 | E316-G318 PolarHBondContact O-N 3.13Å; G318-G320 PolarHBondContact O-N 2.94Å; G318-G320 VanDerWaalsContact O-N 3.07Å |
| 319 | T | 51.5 | Low | 58 | Low | 160 Ų | 160 | 114.8 Ų | 114.8 | 98% | 0.982 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -44.6 | 106 | -175.3 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 320 | G | 47.5 | Very low | 55.7 | Low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | | | trans | -160.9 | 132 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G318 | G318-G320 PolarHBondContact O-N 2.94Å; G318-G320 VanDerWaalsContact O-N 3.07Å |
| 321 | S | 40.4 | Very low | 52.5 | Low | 103 Ų | 103 | 122 Ų | 122 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | | | trans | 65 | 86.5 | 170 | -160.7 | 0 | 0 | 0 | 0 | 118.5 | T323 | S321-T323 PolarHBondContact O-N 3.12Š|
| 322 | S | 47.8 | Very low | 49.4 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | | | trans | -79.4 | 99.9 | 159.9 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 323 | T | 43.6 | Very low | 46.6 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -139.6 | 159 | 170.4 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | S321 | S321-T323 PolarHBondContact O-N 3.12Š|
| 324 | I | 45.8 | Very low | 44.1 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -100.1 | 157 | -159.3 | -164.1 | 168.3 | 0 | 0 | 0 | 114.7 | | |
| 325 | S | 35 | Very low | 41.8 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | 85.3 | 142 | 155.8 | -154.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 326 | G | 31.4 | Very low | 40 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 178.2 | 22.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S328 | G326-S328 PolarHBondContact O-N 2.89Å; G326-S328 VanDerWaalsContact O-N 3.11Å |
| 327 | R | 40.8 | Very low | 38.4 | Very low | 251 Ų | 251 | 129.1 Ų | 129.1 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | | | trans | -85.4 | 80.5 | -172.9 | -170.2 | -175.5 | -171.8 | -97.6 | 5.9 | 111.4 | | |
| 328 | S | 32.9 | Very low | 37.1 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -141.9 | 121.2 | 175.4 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | G326 | G326-S328 PolarHBondContact O-N 2.89Å; G326-S328 VanDerWaalsContact O-N 3.11Å |
| 329 | S | 30.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -151.9 | 149.6 | 165 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 330 | P | 47.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | cis | -123.8 | -173.6 | 4.2 | 34.8 | -16.5 | 0 | 0 | 0 | 114 | | |
| 331 | H | 26.1 | Very low | 34.7 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | | | trans | 125.4 | 114.3 | 131.3 | -160.4 | 71.1 | 0 | 0 | 0 | 117.9 | | |
| 332 | S | 28.3 | Very low | 34.3 | Very low | 79 Ų | 79 | 137 Ų | 137 | 55% | 0.552 | 81% | 0.805 | S | S | * | * | | | trans | 67.5 | 131 | 149.7 | -164 | 0 | 0 | 0 | 0 | 121 | | |
| 333 | T | 29.9 | Very low | 33.6 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | | | | -145.8 | 106.2 | 123.9 | -69.6 | 0 | 0 | 0 | 0 | 109.2 | Y335 | T333-Y335 HydrophobicContact CG2-CD2 4.29Š|
| 334 | Y | 32.4 | Very low | 33.1 | Very low | 226 Ų | 226 | 133.3 Ų | 133.3 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | | | trans | -94.7 | 138.2 | 144.8 | -84.8 | -84.4 | 0 | 0 | 0 | 107.7 | | |
| 335 | Y | 29.9 | Very low | 32.6 | Very low | 218 Ų | 218 | 131.9 Ų | 131.9 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -70.7 | 131.9 | -178.1 | -101.3 | -99.6 | 0 | 0 | 0 | 112.8 | T333 | T333-Y335 HydrophobicContact CG2-CD2 4.29Š|
| 336 | I | 33 | Very low | 32.4 | Very low | 175 Ų | 175 | 134 Ų | 134 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -174.1 | 144.6 | 135.7 | -99.3 | 155.2 | 0 | 0 | 0 | 108.4 | | |
| 337 | G | 29.5 | Very low | 32.4 | Very low | 66 Ų | 66 | 136.3 Ų | 136.3 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 111.2 | 73.4 | 163 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 338 | Q | 30.9 | Very low | 31.8 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | 25.6 | 113.3 | 136.9 | -58.3 | 173.7 | -11.3 | 0 | 0 | 119.9 | | |
| 339 | S | 30.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | | 147.1 | 128.4 | 119.1 | -65.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 340 | S | 31.1 | Very low | 31.7 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 49.5 | 120.3 | 144.1 | -56.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 341 | S | 32 | Very low | 30.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | 53.7 | 129.8 | 139.7 | 61.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 342 | G | 31.9 | Very low | 31.1 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | | | cis | 146.8 | 126.2 | 13.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 343 | G | 32.4 | Very low | 31.3 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | trans | 83.4 | 174.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 344 | S | 34.3 | Very low | 31.4 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | cis | -170.8 | 117.1 | -12 | 174.2 | 0 | 0 | 0 | 0 | 114 | | |
| 345 | I | 35.5 | Very low | 31.4 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | trans | 67.8 | 105.8 | 136.8 | -59.2 | 176.3 | 0 | 0 | 0 | 121.5 | | |
| 346 | H | 29.9 | Very low | 31.3 | Very low | 164 Ų | 164 | 135 Ų | 135 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | | 61.9 | 148.5 | 126.9 | -56.6 | -171.5 | 0 | 0 | 0 | 125.2 | | |
| 347 | S | 30.8 | Very low | 31.1 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 69.7 | 159.9 | 137.4 | 56.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 348 | N | 28.3 | Very low | 31.1 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | | | cis | -176.8 | 162.9 | -29.9 | -174.5 | 11.5 | 0 | 0 | 0 | 107.1 | | |
| 349 | L | 30.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 63% | 0.634 | 75% | 0.754 | S | S | * | * | | | trans | 89.1 | 117.5 | 150.7 | -154.6 | 69.6 | 0 | 0 | 0 | 119.9 | | |
| 350 | E | 30.4 | Very low | 31.2 | Very low | 153 Ų | 153 | 136 Ų | 136 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | trans | 62.1 | 159.5 | 146.8 | -72.5 | 173.2 | 172.1 | 0 | 0 | 120 | | |
| 351 | Q | 30.4 | Very low | 31.2 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | | | cis | -164.4 | 163.6 | -23.4 | 175.1 | 173.6 | 45.2 | 0 | 0 | 108.8 | | |
| 352 | E | 30.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 75% | 0.745 | S | S | * | * | | | trans | 71 | 160 | 165.5 | -88.9 | -104.4 | 98.6 | 0 | 0 | 119.3 | | |
| 353 | R | 32.6 | Very low | 31 | Very low | 222 Ų | 222 | 142.8 Ų | 142.8 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -61 | 153.3 | -172.4 | -47 | 157.3 | -155.9 | -115.9 | -0.3 | 113 | | |
| 354 | G | 31.9 | Very low | 31.1 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | trans | 168.7 | 120.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 355 | K | 33.8 | Very low | 31.3 | Very low | 200 Ų | 200 | 145.8 Ų | 145.8 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | | | trans | -60.7 | 155.2 | 174.5 | -57.7 | 168 | 171.7 | 179.6 | 0 | 112.6 | | |
| 356 | E | 26.8 | Very low | 31.4 | Very low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | 90.8 | 117.7 | 138.1 | -156.5 | 165.7 | 158.7 | 0 | 0 | 120.3 | | |
| 357 | N | 29.9 | Very low | 31.2 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | | | trans | 63.9 | 126 | 147 | -60.4 | -9.4 | 0 | 0 | 0 | 124.3 | | |
| 358 | E | 29.6 | Very low | 31.1 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | | | trans | 70.7 | 118.3 | 131.1 | -74.1 | -160.8 | 75.4 | 0 | 0 | 124.5 | | |
| 359 | L | 32.6 | Very low | 31.3 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 62% | 0.618 | 72% | 0.721 | S | S | * | * | | | trans | 76.8 | 108.7 | 133.8 | -62.4 | -176.9 | 0 | 0 | 0 | 122.6 | | |
| 360 | K | 30.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | | | | 78 | 146.1 | 123.8 | -74.6 | 173.4 | 176.4 | 164.3 | 0 | 121.3 | | |
| 361 | Q | 31.5 | Very low | 31.7 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | 70.4 | 147.5 | 153.5 | -77 | 179.1 | -65.5 | 0 | 0 | 117.4 | | |
| 362 | E | 29.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | | | cis | -154 | 176.1 | -17.4 | -161.3 | 160.4 | 116.8 | 0 | 0 | 110.3 | | |
| 363 | E | 30.3 | Very low | 32.1 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | -41.2 | 139.4 | 177.5 | -171.5 | -177.7 | -172.6 | 0 | 0 | 117.3 | R365 | E363-R365 VanDerWaalsContact CD-NH2 3.33Å; E363-R365 HydrophobicContact CG-CG 4.26Å; E363-R365 IonicContact OE1-CZ 2.8Å; E363-R365 IonicContact OE1-NE 3.78Å; E363-R365 PolarHBondContact OE1-NE 3.24Å; E363-R365 IonicContact OE1-NH2 3.18Å; E363-R365 PolarHBondContact OE1-NH2 3.46Å; E363-R365 IonicContact OE2-NH2 2.69Å; E363-R365 PolarHBondContact OE2-NH2 3.03Å |
| 364 | G | 33 | Very low | 32.1 | Very low | 73 Ų | 73 | 143.6 Ų | 143.6 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -140.7 | -12.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 365 | R | 39.7 | Very low | 32.4 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | | | trans | 38 | 113.2 | 162.6 | -55.6 | 172.8 | 178.8 | 174.7 | 5.5 | 120.9 | E363 | E363-R365 VanDerWaalsContact CD-NH2 3.33Å; E363-R365 HydrophobicContact CG-CG 4.26Å; E363-R365 IonicContact OE1-CZ 2.8Å; E363-R365 IonicContact OE1-NE 3.78Å; E363-R365 PolarHBondContact OE1-NE 3.24Å; E363-R365 IonicContact OE1-NH2 3.18Å; E363-R365 PolarHBondContact OE1-NH2 3.46Å; E363-R365 IonicContact OE2-NH2 2.69Å; E363-R365 PolarHBondContact OE2-NH2 3.03Å |
| 366 | K | 36.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | | | | 58 | 157.4 | 128.8 | 90.9 | -167.2 | 172.5 | -179.3 | 0 | 120.2 | | |
| 367 | S | 27 | Very low | 33 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 49% | 0.49 | 71% | 0.713 | S | S | . | * | | | cis | -179.9 | 177.4 | -13.3 | 45 | 0 | 0 | 0 | 0 | 108.9 | | |
| 368 | F | 27.4 | Very low | 33.1 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | | | trans | 77.8 | 156.3 | 165.8 | -50.6 | -52.5 | 0 | 0 | 0 | 117.6 | | |
| 369 | L | 33.6 | Very low | 33.6 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | | | cis | -173.9 | 147.2 | -24.3 | 176.8 | 113.6 | 0 | 0 | 0 | 109.5 | | |
| 370 | M | 32.3 | Very low | 33.7 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | trans | 68 | 162.7 | 167.2 | -82.4 | 174.2 | 63.2 | 0 | 0 | 118.2 | | |
| 371 | K | 37.2 | Very low | 33.8 | Very low | 164 Ų | 164 | 141.6 Ų | 141.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | cis | 167.8 | 129.4 | -34.5 | 167.9 | 175.2 | 176.2 | 172.6 | 0 | 109.6 | | |
| 372 | R | 38.7 | Very low | 33.9 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | 140.4 | 143.8 | 131.9 | -160.3 | -176.2 | -49.5 | -158.5 | 5.4 | 115.1 | | |
| 373 | G | 30.1 | Very low | 34 | Very low | 64 Ų | 64 | 136.4 Ų | 136.4 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | 108.1 | 136.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 374 | D | 32.2 | Very low | 34.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | cis | -155.7 | 143.1 | -11.5 | -104.1 | -13.7 | 0 | 0 | 0 | 107.7 | | |
| 375 | V | 39.2 | Very low | 34.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | | | | 52.8 | 126.6 | 102.3 | -174.7 | 0 | 0 | 0 | 0 | 113 | | |
| 376 | L | 40.2 | Very low | 34 | Very low | 161 Ų | 161 | 135.6 Ų | 135.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | cis | -133.4 | 176 | 36.3 | -167.7 | 54.5 | 0 | 0 | 0 | 113.9 | | |
| 377 | D | 31.5 | Very low | 34.1 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | | | trans | -135.1 | 160.3 | -151.4 | -50.7 | -102.7 | 0 | 0 | 0 | 114.8 | | |
| 378 | Y | 32.8 | Very low | 34.4 | Very low | 230 Ų | 230 | 136.3 Ų | 136.3 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -141.5 | 125.1 | 150.5 | -156.7 | -93.3 | 0 | 0 | 0 | 113.1 | | |
| 379 | S | 39.2 | Very low | 34.7 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -59.2 | 173.7 | 179.7 | -64.8 | 0 | 0 | 0 | 0 | 116 | | |
| 380 | S | 35.4 | Very low | 35.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | cis | 168.7 | 155.6 | -24.6 | -168.4 | 0 | 0 | 0 | 0 | 105.6 | | |
| 381 | S | 34.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | cis | -135.2 | -160.5 | 10.3 | 71.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 382 | G | 33.5 | Very low | 35.4 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | cis | -167.9 | 167.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 383 | V | 30 | Very low | 35.9 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | -113.5 | 146.7 | -153.4 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 384 | S | 37 | Very low | 36.3 | Very low | 89 Ų | 89 | 132 Ų | 132 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | | | trans | 5.9 | 141.3 | 156 | -168.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 385 | T | 30.3 | Very low | 36.6 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -125 | 138.2 | 143 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 386 | N | 37 | Very low | 37 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | | | trans | -99.1 | 174.5 | -178.3 | -145.8 | 55.1 | 0 | 0 | 0 | 111.6 | | |
| 387 | E | 37.6 | Very low | 37.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | trans | 66 | 105.4 | 166.3 | -55.4 | -57 | 146.6 | 0 | 0 | 119.1 | | |
| 388 | A | 34 | Very low | 38.1 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | -158.2 | 141.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 389 | S | 33.9 | Very low | 39 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 158.7 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | L391 | S389-L391 PolarHBondContact O-N 2.91Š|
| 390 | P | 41.8 | Very low | 39 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 130.5 | 173.1 | 26.8 | -35.2 | 0 | 0 | 0 | 111 | | |
| 391 | L | 34.9 | Very low | 38.9 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 150.9 | 169.4 | -66.6 | 174.3 | 0 | 0 | 0 | 109.7 | S389 | S389-L391 PolarHBondContact O-N 2.91Š|
| 392 | D | 40 | Very low | 39 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61 | 149.9 | -176.4 | -61.3 | -74.1 | 0 | 0 | 0 | 113.1 | I394 | D392-I394 PolarHBondContact O-N 3.46Å; D392-I394 VanDerWaalsContact O-N 3.07Å |
| 393 | P | 49.7 | Very low | 39 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -64.4 | 111 | 174.6 | 27 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 394 | I | 38.8 | Very low | 39.1 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -60.5 | 138.4 | 178.8 | 49.5 | 172.9 | 0 | 0 | 0 | 112.5 | D392 | D392-I394 PolarHBondContact O-N 3.46Å; D392-I394 VanDerWaalsContact O-N 3.07Å |
| 395 | T | 37.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -73.6 | 134.1 | 173.5 | 46 | 0 | 0 | 0 | 0 | 111.5 | E397 | T395-E397 VanDerWaalsContact C-N 3.35Å; T395-E397 PolarHBondContact O-N 3.2Å |
| 396 | E | 48.1 | Very low | 38.8 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 94% | 0.944 | 78% | 0.777 | S | S | * | * | | | trans | -83 | 63 | -174.9 | 57.4 | -171.6 | 137.8 | 0 | 0 | 114.2 | | |
| 397 | E | 54.1 | Low | 38.8 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -127.8 | 85.6 | 176.7 | -66.5 | -165.3 | 121.3 | 0 | 0 | 113.4 | T395 | T395-E397 VanDerWaalsContact C-N 3.35Å; T395-E397 PolarHBondContact O-N 3.2Å |
| 398 | D | 40.3 | Very low | 38.6 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | | | trans | -166.8 | 95.5 | 151 | 172.7 | 46 | 0 | 0 | 0 | 113.4 | K400 | D398-K400 PolarHBondContact O-NZ 2.95Å; D398-K400 PolarHBondContact OD1-N 2.95Å; D398-K400 WeakPolarHBondContact OD2-CD 3.41Å; D398-K400 IonicContact OD2-NZ 2.86Å; D398-K400 PolarHBondContact OD2-NZ 3.31Å |
| 399 | E | 52 | Low | 38.6 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | trans | -109.1 | 76.7 | 155.3 | -162.5 | 172.6 | 131.6 | 0 | 0 | 110.8 | | |
| 400 | K | 39.7 | Very low | 39.1 | Very low | 140 Ų | 140 | 143 Ų | 143 | 61% | 0.609 | 79% | 0.79 | S | S | * | * | | | trans | -38.2 | 148.1 | 171.5 | 52.5 | -98.9 | 150.6 | -150.8 | 0 | 115.7 | D398 | D398-K400 PolarHBondContact O-NZ 2.95Å; D398-K400 PolarHBondContact OD1-N 2.95Å; D398-K400 WeakPolarHBondContact OD2-CD 3.41Å; D398-K400 IonicContact OD2-NZ 2.86Å; D398-K400 PolarHBondContact OD2-NZ 3.31Å |
| 401 | S | 32.5 | Very low | 38.4 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -148.2 | 145.2 | 144.6 | -80.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 402 | D | 35.7 | Very low | 38.3 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | | | trans | 64.8 | 95.3 | 159.3 | -68.5 | -37.1 | 0 | 0 | 0 | 123.7 | | |
| 403 | Q | 34.7 | Very low | 37.9 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | | 82.2 | 142.9 | 111.2 | -75.8 | -178.3 | 59.7 | 0 | 0 | 123.1 | | |
| 404 | S | 31.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | 70.9 | 141 | 156 | -66.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 405 | G | 31.1 | Very low | 36.2 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | 165.7 | -22.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 406 | S | 29.9 | Very low | 35.9 | Very low | 93 Ų | 93 | 143.7 Ų | 143.7 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | trans | 38.7 | 110.9 | 161.9 | 162 | 0 | 0 | 0 | 0 | 119.8 | | |
| 407 | K | 36.9 | Very low | 35.6 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 93.8 | 136.7 | 141.3 | -67.7 | 167 | -167 | 165.7 | 0 | 122 | | |
| 408 | L | 34.5 | Very low | 35.1 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | 84.9 | 117.8 | 148 | -70.8 | 162.4 | 0 | 0 | 0 | 121.3 | | |
| 409 | L | 34.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -84.7 | -179.3 | 149 | -46.9 | 172.2 | 0 | 0 | 0 | 108.6 | | |
| 410 | P | 43.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | cis | -135.2 | 172.2 | -6.4 | 40.7 | -24.5 | 0 | 0 | 0 | 115.7 | | |
| 411 | G | 27.8 | Very low | 33.5 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | | 94 | 98.6 | 127.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 412 | K | 32.3 | Very low | 33.5 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 53.5 | 131.2 | 137.6 | -65.9 | -179.5 | 174.9 | 176.1 | 0 | 121.9 | | |
| 413 | K | 32.1 | Very low | 33.1 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | 72.1 | 144.5 | 143.6 | 70 | 168.2 | 176.7 | 177.5 | 0 | 121.2 | | |
| 414 | S | 24.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 68.7 | 152.4 | 169.9 | 76.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 415 | S | 28.4 | Very low | 32.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | cis | -154.8 | -177.8 | -24.9 | -155.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 416 | E | 29 | Very low | 32.8 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -65.1 | 160 | -169.1 | -64.6 | 164 | 106.5 | 0 | 0 | 118.2 | | |
| 417 | R | 43.6 | Very low | 33 | Very low | 241 Ų | 241 | 149.8 Ų | 149.8 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -35.4 | 161.9 | 156.5 | -85.8 | 174.3 | 166.5 | 158.3 | -4.2 | 114.7 | | |
| 418 | P | 41.7 | Very low | 32.7 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | | -147.8 | 171.4 | 107.3 | 39.1 | -25 | 0 | 0 | 0 | 117.4 | | |
| 419 | S | 28.1 | Very low | 32.5 | Very low | 87 Ų | 87 | 146.1 Ų | 146.1 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | 100.3 | 100.1 | 143.8 | -152.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 420 | L | 35.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | S | Bend | | -143.1 | 99.3 | 111.4 | -159.4 | 74.2 | 0 | 0 | 0 | 109.4 | | |
| 421 | F | 36.6 | Very low | 31.8 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | | | trans | 27.5 | 113.9 | 161.7 | -56.6 | -76.5 | 0 | 0 | 0 | 120.1 | | |
| 422 | Q | 31.3 | Very low | 32.2 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | | 81.9 | 126.2 | 73.2 | -172.2 | 175.3 | 69.2 | 0 | 0 | 111.3 | | |
| 423 | T | 29 | Very low | 32.3 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | | -146.2 | 151.3 | 61.4 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 424 | D | 28.4 | Very low | 32.2 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | 34.6 | 147.8 | 137.4 | -69.7 | -52 | 0 | 0 | 0 | 123.8 | | |
| 425 | L | 31.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 71% | 0.707 | 79% | 0.788 | S | S | * | * | | | cis | -171.7 | 155.1 | -13.4 | -173.1 | 60.3 | 0 | 0 | 0 | 110.6 | | |
| 426 | K | 30.4 | Very low | 32.8 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | trans | 65.4 | 108.8 | 160 | -89 | 152.5 | 58.5 | -171.7 | 0 | 119.9 | | |
| 427 | L | 34.4 | Very low | 33.3 | Very low | 166 Ų | 166 | 154 Ų | 154 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | | 53.1 | 131.1 | 115.3 | -93.3 | 156.8 | 0 | 0 | 0 | 121.3 | | |
| 428 | K | 30.1 | Very low | 33.4 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 98.4 | 121.7 | 138.4 | -167.8 | -174.6 | -178.2 | -178.4 | 0 | 118.6 | | |
| 429 | G | 30.3 | Very low | 32.9 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | 115.3 | 146.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 430 | S | 30.9 | Very low | 33.2 | Very low | 128 Ų | 128 | 150 Ų | 150 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 141 | 166.4 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 431 | G | 31.1 | Very low | 33.2 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -154.9 | 111.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 432 | L | 37 | Very low | 33.5 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -73.5 | -176.5 | 170.3 | -65.6 | 165.8 | 0 | 0 | 0 | 111.7 | | |
| 433 | R | 35.1 | Very low | 34.1 | Very low | 224 Ų | 224 | 152.6 Ų | 152.6 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 94.7 | 78.3 | 157.2 | 84.3 | -123.8 | -76 | 163.2 | -4.4 | 120.1 | | |
| 434 | Y | 30.2 | Very low | 34.5 | Very low | 223 Ų | 223 | 152.8 Ų | 152.8 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | | 39.2 | 150.8 | 115.8 | -77 | -75.9 | 0 | 0 | 0 | 123.3 | | |
| 435 | Q | 32.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 83.3 | 145.5 | 169.1 | -54.2 | -157.8 | 3.5 | 0 | 0 | 114.9 | | |
| 436 | K | 33.2 | Very low | 35.1 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | cis | -147.1 | 135.6 | 27.9 | -175 | 156.8 | 179.8 | 176.9 | 0 | 115.6 | | |
| 437 | L | 39.4 | Very low | 35.4 | Very low | 154 Ų | 154 | 148.6 Ų | 148.6 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -83.7 | 159.7 | 162 | -55 | 169 | 0 | 0 | 0 | 109.6 | | |
| 438 | P | 45.6 | Very low | 35.6 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | | -141.9 | 179.7 | 75.3 | 25.2 | -1.9 | 0 | 0 | 0 | 112.8 | | |
| 439 | S | 30.3 | Very low | 36 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | cis | -162.4 | 152.2 | -22.5 | -94.1 | 0 | 0 | 0 | 0 | 105.5 | | |
| 440 | D | 34.8 | Very low | 36 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | cis | 79.5 | 83 | 35.8 | -168.4 | 45.8 | 0 | 0 | 0 | 113.2 | | |
| 441 | E | 36.3 | Very low | 35.9 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -150.4 | 162.6 | 162.6 | -69.3 | -164.2 | 134 | 0 | 0 | 108.9 | | |
| 442 | D | 42.2 | Very low | 35.9 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | 64.1 | 79.9 | -160.8 | -72.4 | -21 | 0 | 0 | 0 | 113.1 | | |
| 443 | E | 43.2 | Very low | 36.4 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | cis | 68.7 | 141.4 | 27.3 | -167 | 157.7 | 115.5 | 0 | 0 | 116.4 | | |
| 444 | S | 38 | Very low | 36.3 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | 69.4 | 136.4 | -176.8 | 77 | 0 | 0 | 0 | 0 | 116.6 | | |
| 445 | G | 35.1 | Very low | 36.3 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | cis | -179.6 | 148.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 446 | T | 37 | Very low | 36.3 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | 25.3 | 161.5 | 132.7 | 57.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 447 | E | 37.4 | Very low | 36.1 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | | | cis | -139.3 | 142.9 | 10.1 | 14.6 | -108.6 | 88.2 | 0 | 0 | 108.8 | | |
| 448 | E | 38.2 | Very low | 35.9 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | | 79.9 | 118.5 | 64.5 | -172.1 | -175.5 | 116.4 | 0 | 0 | 115.2 | D450 | E448-D450 HydrophobicContact CG-CB 4.33Š|
| 449 | S | 37.8 | Very low | 35.2 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | | | trans | 178.3 | 76.4 | 132.2 | 40.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 450 | D | 31.6 | Very low | 35.5 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 56% | 0.556 | 75% | 0.749 | S | S | * | * | | | | 12.6 | 125.9 | 77.7 | -147.9 | -23.6 | 0 | 0 | 0 | 115.8 | E448 T452 | E448-D450 HydrophobicContact CG-CB 4.33Å; D450-T452 PolarHBondContact OD1-N 3.03Å; D450-T452 PolarHBondContact OD1-OG1 3.19Å |
| 451 | N | 28.4 | Very low | 35.6 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | trans | -156.5 | 106.1 | 131.4 | -115.5 | -97.5 | 0 | 0 | 0 | 108.1 | | |
| 452 | T | 32 | Very low | 35.5 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | trans | -70.6 | 158.2 | 177.1 | 17.6 | 0 | 0 | 0 | 0 | 111.8 | D450 | D450-T452 PolarHBondContact OD1-N 3.03Å; D450-T452 PolarHBondContact OD1-OG1 3.19Å |
| 453 | P | 46.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | trans | -81.8 | 152.8 | -170.5 | 33.8 | -36.1 | 0 | 0 | 0 | 112.4 | | |
| 454 | L | 32.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | | | trans | -159.6 | 134.9 | 155.4 | -102.7 | 166.5 | 0 | 0 | 0 | 113.3 | | |
| 455 | L | 29.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 133 Ų | 133 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | | | trans | 31.6 | 108.2 | 152.9 | -65.6 | 172.3 | 0 | 0 | 0 | 123.3 | | |
| 456 | K | 32.2 | Very low | 34 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | | | | 71.9 | 160.5 | 101 | -123.3 | 176.4 | 153.4 | -87.1 | 0 | 122.5 | | |
| 457 | D | 29.6 | Very low | 33.7 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 58% | 0.583 | 75% | 0.745 | S | S | * | * | | | trans | 64 | 96.2 | 159.7 | -56.3 | -30.8 | 0 | 0 | 0 | 117 | | |
| 458 | D | 36.1 | Very low | 33.2 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | | | | 97.6 | 96.6 | 71.4 | -100.2 | -54.3 | 0 | 0 | 0 | 114.7 | | |
| 459 | K | 30.9 | Very low | 32.9 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | -162.6 | 108 | 152 | -130.6 | 139.5 | -176.1 | 172.6 | 0 | 109.1 | | |
| 460 | D | 36.1 | Very low | 32.5 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 57% | 0.567 | 74% | 0.741 | S | S | * | * | | | | 65.2 | 135.9 | 88.2 | -77.4 | -18.1 | 0 | 0 | 0 | 114.6 | | |
| 461 | K | 37.6 | Very low | 32.5 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | cis | -166.4 | 137.9 | 2.9 | -123.4 | 162.5 | -178.6 | 77.9 | 0 | 111.5 | | |
| 462 | K | 32.7 | Very low | 32.4 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | | | trans | 61.3 | 167.6 | 152.9 | -67 | -177.4 | 172.3 | -166.4 | 0 | 116.5 | | |
| 463 | A | 35.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | cis | -146.7 | 166.5 | 14 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 464 | E | 28.2 | Very low | 31.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | cis | -169 | 156.5 | -18.2 | 164.6 | 162.8 | -135.3 | 0 | 0 | 107.5 | | |
| 465 | G | 31.9 | Very low | 31.4 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | | | trans | 166.5 | 99.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 466 | K | 32.9 | Very low | 31.3 | Very low | 207 Ų | 207 | 142.4 Ų | 142.4 | 90% | 0.9 | 75% | 0.746 | S | S | * | * | | | trans | -112.1 | 133.9 | 177.6 | -78.8 | -175.4 | 175 | -177.9 | 0 | 112.2 | | |
| 467 | A | 29.1 | Very low | 31.2 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | | | trans | -166.3 | 161.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 468 | E | 27.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 141 Ų | 141 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | | | cis | -166.1 | 135.6 | -38.8 | -175.3 | 172.7 | 132.4 | 0 | 0 | 108.3 | | |
| 469 | R | 33.2 | Very low | 30.8 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | | | trans | 66.7 | 135.6 | 159.4 | -88.9 | -173.9 | -108.7 | -152 | -1 | 122.9 | | |
| 470 | V | 29.2 | Very low | 31.8 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 92.9 | 113.4 | 137.5 | 168.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 471 | A | 30.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | | | trans | 59 | 138.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 472 | K | 27 | Very low | 31.6 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | cis | -153.4 | 159.9 | -2.1 | -116.4 | 169.8 | -177.2 | 179.8 | 0 | 109.7 | | |
| 473 | S | 24.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -105 | -172.1 | -177.4 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 474 | P | 38.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 58% | 0.578 | 77% | 0.772 | S | S | * | * | | | cis | -140.9 | -168.2 | 3.4 | 43.3 | -23.6 | 0 | 0 | 0 | 116.5 | | |
| 475 | E | 25.7 | Very low | 32.6 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 70.4 | 144.4 | 148 | -78.7 | 152.1 | -153.6 | 0 | 0 | 120.5 | | |
| 476 | H | 28.9 | Very low | 32.7 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | cis | -154 | 146.7 | -15.6 | -161.2 | -61.6 | 0 | 0 | 0 | 109.1 | | |
| 477 | S | 28.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -102.3 | 136.7 | 171.1 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 478 | V | 29.5 | Very low | 32.9 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | | | trans | -147.9 | 141.6 | 168 | -162.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 479 | E | 27.6 | Very low | 33.4 | Very low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -86.5 | -125.5 | 165.4 | -62.5 | 180 | 121.9 | 0 | 0 | 110.8 | | |
| 480 | P | 53.6 | Low | 33.6 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | | -118.3 | 170.3 | -100 | 29.7 | -12.1 | 0 | 0 | 0 | 113.5 | | |
| 481 | I | 31.1 | Very low | 34 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | -128 | 127.6 | 151.6 | -78.4 | 94.5 | 0 | 0 | 0 | 110.1 | | |
| 482 | R | 38.5 | Very low | 34.2 | Very low | 221 Ų | 221 | 146.8 Ų | 146.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -93.4 | 139.1 | 157.5 | -67.3 | 173.9 | 174.2 | 162.5 | -3.5 | 108.3 | | |
| 483 | T | 35.9 | Very low | 34.6 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | trans | -136.3 | 99.5 | 162.4 | 8.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 484 | F | 37.2 | Very low | 35.2 | Very low | 191 Ų | 191 | 142.8 Ų | 142.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | | | trans | -69.5 | 126.2 | 158.7 | -69.3 | -96.9 | 0 | 0 | 0 | 108.1 | | |
| 485 | I | 43.1 | Very low | 35.4 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | trans | -119.5 | 138.3 | 153.1 | -65 | -174.3 | 0 | 0 | 0 | 108.2 | | |
| 486 | K | 35.1 | Very low | 36.5 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 84% | 0.835 | 75% | 0.753 | S | S | * | * | | | trans | -109.6 | 165.3 | -169.6 | 168.8 | -176.7 | 174.6 | -177 | 0 | 108.1 | | |
| 487 | A | 33.5 | Very low | 37.5 | Very low | 89 Ų | 89 | 144.1 Ų | 144.1 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | 73 | 159.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 488 | K | 32.8 | Very low | 38.1 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | | | cis | 174.3 | 159.9 | -18.1 | -177.7 | -153.8 | 161.2 | -147.9 | 0 | 104.7 | | |
| 489 | E | 36.3 | Very low | 39.4 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | trans | 74.1 | 153.7 | 164.7 | -42.2 | -158.5 | 105.1 | 0 | 0 | 116 | | |
| 490 | Y | 37.5 | Very low | 39.8 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 73% | 0.725 | 76% | 0.759 | S | S | * | * | | | cis | -165 | 129.3 | -33 | -121.6 | -93.7 | 0 | 0 | 0 | 105.9 | | |
| 491 | L | 37 | Very low | 39.1 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 61.8 | 160.2 | 162.6 | -60.9 | 163.5 | 0 | 0 | 0 | 117 | | |
| 492 | S | 35.4 | Very low | 40 | Very low | 84 Ų | 84 | 147.1 Ų | 147.1 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | | | cis | -153.9 | 164.8 | -21.5 | -125.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 493 | D | 36.3 | Very low | 40.1 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 19 | 116.4 | 148.4 | -50.7 | -70.9 | 0 | 0 | 0 | 119.9 | | |
| 494 | A | 36 | Very low | 40.6 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 178 | 135.9 | 105.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 495 | L | 43.9 | Very low | 40.8 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | 47.7 | 114.9 | 139.8 | -58.6 | 170.8 | 0 | 0 | 0 | 121.5 | | |
| 496 | L | 49 | Very low | 41.1 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | | | | 56.7 | 114.5 | 127.9 | -61.2 | 173.1 | 0 | 0 | 0 | 121.2 | | |
| 497 | D | 49.2 | Very low | 41.6 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | | 53.5 | 83.4 | 125.9 | -170.9 | 34.7 | 0 | 0 | 0 | 119.7 | | |
| 498 | K | 40.8 | Very low | 42.1 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | | | trans | -143.3 | 127.4 | 137.2 | -65.1 | -166.8 | 180 | 175.3 | 0 | 106.9 | | |
| 499 | K | 58.2 | Low | 42.2 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | | 80.7 | 104.2 | 54.3 | -178.1 | 174.8 | 176.1 | 171.7 | 0 | 113.7 | | |
| 500 | D | 35.9 | Very low | 42.4 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | | | trans | -173.1 | 162.1 | 146.6 | -99.5 | -31.9 | 0 | 0 | 0 | 108.1 | | |
| 501 | S | 37.8 | Very low | 42.4 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | cis | 178.8 | 159.4 | -32.9 | -89.5 | 0 | 0 | 0 | 0 | 106 | | |
| 502 | S | 49.9 | Very low | 42.4 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | cis | -95.9 | -171 | 1.2 | -65 | 0 | 0 | 0 | 0 | 111.5 | | |
| 503 | D | 40.6 | Very low | 42.9 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | cis | 80.9 | 106.2 | 18.3 | -179.8 | 47.9 | 0 | 0 | 0 | 118.6 | | |
| 504 | S | 46.9 | Very low | 43.1 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 162.1 | 150.6 | 137.2 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 505 | G | 42.4 | Very low | 42.9 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | cis | -171 | 128.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 506 | V | 48.6 | Very low | 42.6 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | | | trans | -72.4 | 148.2 | -170.2 | -66.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 507 | R | 46.3 | Very low | 42 | Very low | 241 Ų | 241 | 140.4 Ų | 140.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | | -170.2 | 123.7 | 128.6 | -105.8 | 160.1 | -177.6 | 119.7 | -0.3 | 113.6 | | |
| 508 | S | 43.8 | Very low | 41.1 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -100.4 | 159.1 | 155.1 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 509 | N | 34.2 | Very low | 40.7 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | | 170.1 | 101.7 | 127.9 | -87.9 | 11.2 | 0 | 0 | 0 | 113.4 | | |
| 510 | E | 41.8 | Very low | 40 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -42 | 142.5 | 130.5 | -163.3 | 60.4 | -107.1 | 0 | 0 | 109.8 | | |
| 511 | S | 37 | Very low | 39.9 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | cis | -159.1 | 178.2 | 1.9 | -150.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 512 | S | 35.9 | Very low | 39.8 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -169.6 | 144.3 | 152.7 | -84.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 513 | P | 47.5 | Very low | 38.9 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | -108.8 | 159.5 | -177.7 | 40.3 | -34.8 | 0 | 0 | 0 | 116.5 | | |
| 514 | N | 39.8 | Very low | 38.4 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | 16.3 | 128.2 | 155 | -67.9 | -34.7 | 0 | 0 | 0 | 122 | | |
| 515 | H | 31.5 | Very low | 37.7 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | | | | -149.2 | 162.2 | 127.3 | -142.3 | -83.5 | 0 | 0 | 0 | 111.2 | | |
| 516 | S | 38.3 | Very low | 37.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | -129.2 | 146.5 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 517 | L | 35.5 | Very low | 36.7 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 170.6 | 137.2 | 134.3 | -94.4 | 170.6 | 0 | 0 | 0 | 113.6 | | |
| 518 | H | 30.2 | Very low | 36.1 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | | | trans | 56.8 | 109.6 | 133.5 | -159.1 | 64.4 | 0 | 0 | 0 | 121.6 | | |
| 519 | N | 32.6 | Very low | 35.9 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | | -166.7 | 150.8 | 112.2 | -113.6 | 15.4 | 0 | 0 | 0 | 111.7 | | |
| 520 | E | 44 | Very low | 35.9 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -107.3 | 155.8 | 165.3 | -67.8 | -173.2 | 91.5 | 0 | 0 | 110.4 | | |
| 521 | A | 33.5 | Very low | 35.6 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 149.7 | 132.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 522 | A | 36 | Very low | 35.6 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 63.7 | 161.3 | 159 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 523 | D | 30.4 | Very low | 35.7 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | cis | -145.4 | -174.2 | 1.8 | -148.2 | -4 | 0 | 0 | 0 | 113.2 | | |
| 524 | D | 29.2 | Very low | 35.2 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | trans | -78.2 | 154.4 | -157.7 | -139.3 | -32 | 0 | 0 | 0 | 119.4 | | |
| 525 | S | 34.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 145.7 Ų | 145.7 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 73.8 | 154.3 | 135.8 | -87.1 | 0 | 0 | 0 | 0 | 127.1 | | |
| 526 | Q | 31.1 | Very low | 35.1 | Very low | 163 Ų | 163 | 145.2 Ų | 145.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 101.6 | 112.1 | 146 | -92.7 | -168.4 | -124.9 | 0 | 0 | 123.8 | | |
| 527 | L | 37.9 | Very low | 35.2 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 74.8 | 153.6 | 147.6 | -54.4 | -176.4 | 0 | 0 | 0 | 118.9 | | |
| 528 | E | 33.2 | Very low | 35.1 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | cis | -139.7 | 179.6 | 7.3 | -144.6 | 177.6 | 164.8 | 0 | 0 | 114 | | |
| 529 | K | 39.7 | Very low | 35.2 | Very low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | trans | -91.9 | 159.5 | -167.8 | -59.2 | 168.7 | 176 | 171.4 | 0 | 114.7 | | |
| 530 | A | 35.3 | Very low | 35.3 | Very low | 82 Ų | 82 | 143.2 Ų | 143.2 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | | -169.1 | 141.5 | 119.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 531 | N | 34.9 | Very low | 34.7 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 57.3 | 96.6 | 158.9 | -50.2 | -28.6 | 0 | 0 | 0 | 117.9 | | |
| 532 | L | 36.3 | Very low | 34.6 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | | 46 | 129.1 | 65.5 | -122.3 | 73.5 | 0 | 0 | 0 | 112.4 | | |
| 533 | I | 38.7 | Very low | 34.8 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 80% | 0.795 | 78% | 0.777 | S | S | * | * | | | cis | -147.5 | 154.4 | 39.3 | -72.2 | 173.9 | 0 | 0 | 0 | 111.9 | | |
| 534 | E | 37.8 | Very low | 35 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -116.5 | 178.2 | 166.4 | -175.1 | 173.1 | -149 | 0 | 0 | 109.7 | | |
| 535 | L | 38.8 | Very low | 35.1 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | 103.4 | 148.1 | -173.6 | -57.5 | 161.6 | 0 | 0 | 0 | 112.5 | | |
| 536 | E | 30.4 | Very low | 35.3 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | cis | -150.2 | -170.3 | 13.4 | -141.3 | 149.7 | -120.6 | 0 | 0 | 112.9 | | |
| 537 | D | 39.2 | Very low | 36.2 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | -120.6 | 167.3 | -160.3 | -175.7 | 32.7 | 0 | 0 | 0 | 115.8 | | |
| 538 | E | 34.1 | Very low | 35.9 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | | | trans | 63.2 | 163.1 | 158.7 | -111.1 | -103.4 | 68.8 | 0 | 0 | 120.8 | H540 | E538-H540 IonicContact OE1-CE1 3.13Å; E538-H540 PolarHBondContact OE1-CE1 3.47Å; E538-H540 IonicContact OE1-ND1 3.97Å; E538-H540 PolarHBondContact OE1-ND1 3.03Å; E538-H540 IonicContact OE2-CE1 2.63Å |
| 539 | G | 31.6 | Very low | 35.7 | Very low | 59 Ų | 59 | 144.3 Ų | 144.3 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | | | trans | 131.4 | 59.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 540 | H | 35.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 53.2 | 120 | 131.9 | -68.9 | 80 | 0 | 0 | 0 | 124.8 | E538 | E538-H540 IonicContact OE1-CE1 3.13Å; E538-H540 PolarHBondContact OE1-CE1 3.47Å; E538-H540 IonicContact OE1-ND1 3.97Å; E538-H540 PolarHBondContact OE1-ND1 3.03Å; E538-H540 IonicContact OE2-CE1 2.63Å |
| 541 | S | 30.1 | Very low | 35.3 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | 91.7 | 144.3 | 133.3 | 85 | 0 | 0 | 0 | 0 | 123.3 | | |
| 542 | G | 32.2 | Very low | 35 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 157.7 | 136.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 543 | K | 39.5 | Very low | 34.9 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -141 | 151.2 | -174.5 | -68.1 | -174.4 | -179.7 | 179.1 | 0 | 115.2 | | |
| 544 | R | 35.2 | Very low | 34.6 | Very low | 247 Ų | 247 | 141.1 Ų | 141.1 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | 88.9 | 141.6 | 166.8 | -60.7 | 169.1 | -76.5 | -156.2 | -2.9 | 115.7 | | |
| 545 | G | 30.6 | Very low | 34.3 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | | | cis | 175.8 | 167 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 546 | M | 38.4 | Very low | 34.8 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | | | trans | -81.1 | 166.9 | 171.7 | -50 | 95.7 | 83.1 | 0 | 0 | 111.5 | | |
| 547 | P | 51.5 | Low | 35.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | | -141.8 | 162.9 | 96.3 | 34.9 | -19.3 | 0 | 0 | 0 | 116 | | |
| 548 | H | 30.1 | Very low | 35 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | 25.3 | 148 | 139.2 | -52.5 | -44.1 | 0 | 0 | 0 | 122.1 | | |
| 549 | S | 30.4 | Very low | 35 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | cis | -178.9 | 178.7 | -8.8 | -94.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 550 | L | 35.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | 93.9 | 138.7 | 157.1 | -50.2 | -179.5 | 0 | 0 | 0 | 119.1 | | |
| 551 | S | 30.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | 23.5 | 143.7 | 151.2 | -51.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 552 | G | 29.4 | Very low | 35.5 | Very low | 66 Ų | 66 | 136.9 Ų | 136.9 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | cis | 134.7 | 168.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 553 | L | 32.6 | Very low | 35.9 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | 84.5 | 160.4 | -179.6 | -69.8 | 156.6 | 0 | 0 | 0 | 118.5 | | |
| 554 | Q | 32.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | trans | -80.8 | 139.1 | -163.7 | -80.3 | 88 | 24.3 | 0 | 0 | 116.5 | | |
| 555 | D | 31.2 | Very low | 36 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | | | | 62.4 | -175.2 | 119 | -137.2 | 35.4 | 0 | 0 | 0 | 117.8 | | |
| 556 | P | 50.5 | Low | 36.4 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 60% | 0.597 | 75% | 0.752 | S | S | * | * | | | | -124.5 | 171.4 | -97.2 | 40.5 | -26.8 | 0 | 0 | 0 | 117.1 | | |
| 557 | V | 36.7 | Very low | 36.6 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | trans | 70.8 | 130.7 | 165.8 | -159 | 0 | 0 | 0 | 0 | 117.5 | | |
| 558 | I | 36.5 | Very low | 36.1 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | | | trans | 159.6 | 119 | 130.5 | -81.9 | 162.9 | 0 | 0 | 0 | 112.2 | R560 | I558-R560 PolarHBondContact O-NH2 2.81Š|
| 559 | A | 33.9 | Very low | 36.7 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | | | trans | 59.9 | 152.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 560 | R | 38.8 | Very low | 37.1 | Very low | 194 Ų | 194 | 135.4 Ų | 135.4 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | cis | -173.9 | 151 | 42.1 | 51.4 | -134.7 | 68.1 | -168.6 | -2.8 | 112.5 | I558 | I558-R560 PolarHBondContact O-NH2 2.81Š|
| 561 | M | 31.9 | Very low | 37.9 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 84% | 0.837 | 75% | 0.746 | S | S | * | * | | | trans | 140.2 | 130.7 | 139.1 | -77.4 | 156.3 | 60.5 | 0 | 0 | 115.4 | | |
| 562 | S | 37.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | trans | 63.6 | 130.7 | 157 | -53.7 | 0 | 0 | 0 | 0 | 119 | | |
| 563 | I | 40.8 | Very low | 38.5 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 80% | 0.795 | 74% | 0.742 | S | S | * | * | | | cis | 54.4 | 133.9 | 2.8 | 69.1 | 168.8 | 0 | 0 | 0 | 117.6 | | |
| 564 | C | 35.1 | Very low | 38.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | cis | -158.9 | -173.7 | -14.5 | -98 | 0 | 0 | 0 | 0 | 106.5 | | |
| 565 | S | 41.5 | Very low | 38.3 | Very low | 82 Ų | 82 | 131.4 Ų | 131.4 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | | | cis | -161.7 | -176.5 | 10.7 | -150.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 566 | E | 38.8 | Very low | 38.5 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | 64.2 | 158.5 | 155.7 | -92.8 | 98.2 | -91.5 | 0 | 0 | 119.2 | | |
| 567 | D | 42.9 | Very low | 37.8 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | | | cis | -172 | 151.9 | -12.7 | -118.7 | -0.2 | 0 | 0 | 0 | 107.1 | | |
| 568 | K | 40.2 | Very low | 37.6 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | cis | -137.9 | -159.8 | -12.1 | -73 | -150.9 | 179.2 | -165.5 | 0 | 106.5 | | |
| 569 | K | 42.5 | Very low | 37.2 | Very low | 196 Ų | 196 | 133 Ų | 133 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | cis | -155.9 | 126 | 11.4 | -170.7 | 178.7 | -180 | -178.7 | 0 | 110.9 | | |
| 570 | S | 39.5 | Very low | 37.2 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -84.1 | -173.4 | 177.9 | -13.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 571 | P | 51.7 | Low | 38.2 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | cis | -123.7 | -164.2 | 3.4 | 33.4 | -9 | 0 | 0 | 0 | 112.1 | | |
| 572 | S | 36.3 | Very low | 38.4 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | cis | -158.3 | 150.2 | 19.2 | -23.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 573 | E | 37.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | 56.8 | 141.5 | 136.3 | -63.6 | 165.9 | 166.4 | 0 | 0 | 120.3 | | |
| 574 | C | 30.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | -153.7 | 169 | 17.6 | -142.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 575 | S | 29.6 | Very low | 38.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | -0.7 | 132.1 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 576 | L | 35 | Very low | 38.2 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | | 75.7 | 102.8 | 52.4 | -67.7 | 175.7 | 0 | 0 | 0 | 116.8 | | |
| 577 | I | 35.8 | Very low | 37.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | | -170.1 | 123.7 | 127.2 | 36.6 | 173.9 | 0 | 0 | 0 | 107.5 | | |
| 578 | A | 32.5 | Very low | 37 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | 72.1 | 125.2 | 72.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 579 | S | 28.8 | Very low | 36.5 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | cis | -158.6 | 167 | -0.7 | -79.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 580 | S | 32.9 | Very low | 36 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -94.7 | -171 | 166.2 | -139.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 581 | P | 59.9 | Low | 35.7 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | cis | -138.5 | 177.7 | -7.8 | 39.4 | -19 | 0 | 0 | 0 | 117 | | |
| 582 | E | 37.3 | Very low | 35 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | 31.6 | 139.1 | 140.5 | -60.7 | 168.3 | 113.8 | 0 | 0 | 125 | | |
| 583 | E | 41.2 | Very low | 34.8 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | | 142.4 | 130.2 | 112.4 | -165.4 | 168.2 | 165.3 | 0 | 0 | 118.7 | | |
| 584 | S | 30 | Very low | 35 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | 66.4 | 151.7 | 153.3 | -72.6 | 0 | 0 | 0 | 0 | 125.7 | | |
| 585 | W | 36.6 | Very low | 35.1 | Very low | 244 Ų | 244 | 142.4 Ų | 142.4 | 92% | 0.924 | 79% | 0.788 | S | S | * | * | | | trans | -102.9 | -175.3 | 179.1 | -66.2 | 89 | 0 | 0 | 0 | 110.8 | | |
| 586 | P | 43.2 | Very low | 35.4 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | cis | -145.4 | 168.1 | 8.7 | 43.4 | -23.3 | 0 | 0 | 0 | 120.2 | | |
| 587 | S | 28.8 | Very low | 35.2 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 73.8 | 127 | 140.4 | 69.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 588 | C | 27.1 | Very low | 35.2 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 79.7 | 114.2 | 140.2 | -157.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 589 | Q | 30.1 | Very low | 35.1 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -167 | 152.5 | 116.1 | -109.2 | -178.7 | 48.4 | 0 | 0 | 114.6 | | |
| 590 | K | 31.5 | Very low | 35.3 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | 65.5 | 116.9 | 159.9 | -113 | 169.7 | -176.8 | 170.4 | 0 | 119.3 | | |
| 591 | A | 32.9 | Very low | 35.8 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | trans | -101 | 150.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 592 | Y | 37.3 | Very low | 34.8 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -146.5 | 136.2 | 158 | 32.3 | -96.9 | 0 | 0 | 0 | 109.7 | | |
| 593 | N | 32.3 | Very low | 34.8 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -83.6 | 131.4 | -174.5 | -75.2 | -79.3 | 0 | 0 | 0 | 111.5 | | |
| 594 | L | 41.7 | Very low | 34.1 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -133.1 | 102.9 | 162.5 | -86 | 170.4 | 0 | 0 | 0 | 109.5 | | |
| 595 | N | 33.3 | Very low | 34.4 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | | | trans | -88.9 | 102.6 | 174.1 | -77.7 | -71.8 | 0 | 0 | 0 | 110.2 | | |
| 596 | R | 34.4 | Very low | 34.1 | Very low | 223 Ų | 223 | 141.4 Ų | 141.4 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | | | trans | 178.5 | 126.8 | 137.1 | -104 | 168.9 | -173.1 | -91.3 | -0.5 | 115 | | |
| 597 | T | 32.6 | Very low | 33.5 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | 34.6 | 113.9 | 138.9 | 57.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 598 | P | 34.7 | Very low | 33.7 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 119.4 | 148.3 | 32.4 | -28.6 | 0 | 0 | 0 | 109.9 | | |
| 599 | S | 30.2 | Very low | 34.8 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | trans | -148.7 | 119.7 | 163.3 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 600 | T | 33.7 | Very low | 34.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -135.6 | 99.3 | 179.8 | 50.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 601 | V | 42.4 | Very low | 34.6 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | | | trans | -95.7 | 113.1 | -170.3 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 602 | T | 39.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 144 Ų | 144 | 69% | 0.693 | 78% | 0.78 | S | S | * | * | | | trans | 41.6 | 150.9 | 145.6 | 69.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 603 | L | 37.2 | Very low | 34.2 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | | -174.2 | 150.6 | 81.4 | -85 | 171.9 | 0 | 0 | 0 | 110.6 | | |
| 604 | N | 27.3 | Very low | 34.1 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -133.7 | 149.2 | 142.8 | -168.2 | 12.8 | 0 | 0 | 0 | 107.4 | | |
| 605 | N | 34.9 | Very low | 33.7 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | | | trans | -140.3 | 142.5 | -157 | -173.9 | 5.5 | 0 | 0 | 0 | 111 | | |
| 606 | N | 31.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | trans | -159.1 | 95.1 | 162.6 | -123.8 | -17 | 0 | 0 | 0 | 113.2 | | |
| 607 | T | 29.5 | Very low | 33.2 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | | | trans | -156.1 | 133.6 | 143.6 | -68.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 608 | A | 32.8 | Very low | 33 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -154 | 159 | 178 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 609 | P | 51.4 | Low | 32.9 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | cis | -116.9 | -171.9 | 14.1 | 43.2 | -29.3 | 0 | 0 | 0 | 112.2 | | |
| 610 | T | 29.4 | Very low | 33.1 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | | -170.6 | 154.9 | 75.3 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 611 | N | 28.4 | Very low | 33 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | 76.7 | 90.9 | 166.4 | -64 | -33 | 0 | 0 | 0 | 121 | | |
| 612 | R | 32.3 | Very low | 32.3 | Very low | 237 Ų | 237 | 138.4 Ų | 138.4 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | | | | -16.3 | 162.6 | 125.1 | -79.1 | 178.7 | 172.6 | 176.1 | -3.4 | 117.1 | | |
| 613 | A | 28.7 | Very low | 32 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | cis | -168.1 | 154.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 614 | N | 29.6 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | | 50.6 | 124.3 | 70.8 | -96.9 | -6.6 | 0 | 0 | 0 | 113.7 | | |
| 615 | Q | 33.5 | Very low | 31.8 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | | | cis | -160.3 | 163.8 | -9.4 | -66.1 | -173.5 | -14.1 | 0 | 0 | 109.1 | | |
| 616 | N | 25.5 | Very low | 31.5 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | | | | -171.9 | 169.3 | 111.9 | -111.1 | -73.9 | 0 | 0 | 0 | 116.8 | | |
| 617 | F | 32.9 | Very low | 31.3 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | -74.1 | 159.3 | -172.3 | -125.4 | -119.2 | 0 | 0 | 0 | 115 | | |
| 618 | D | 27.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | -164.8 | 174.8 | 125.8 | -126.2 | -36.3 | 0 | 0 | 0 | 112.5 | | |
| 619 | E | 31.7 | Very low | 31.1 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | | | trans | -94.4 | 164.6 | -155.7 | -155.9 | 176.4 | 97.9 | 0 | 0 | 118.4 | | |
| 620 | I | 35.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | trans | 104.3 | 136.9 | 139.8 | -118.3 | 171.5 | 0 | 0 | 0 | 122 | | |
| 621 | E | 31.2 | Very low | 30.1 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | | | trans | 51.7 | 153 | 164.5 | -71.8 | -172.7 | 140.2 | 0 | 0 | 122.1 | | |
| 622 | G | 29.1 | Very low | 30.3 | Very low | 63 Ų | 63 | 147.8 Ų | 147.8 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | | | cis | 159.5 | -179.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 623 | V | 32.2 | Very low | 30.2 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | | | trans | 74.9 | 97.6 | 168.2 | -173 | 0 | 0 | 0 | 0 | 116.2 | | |
| 624 | R | 32 | Very low | 30.2 | Very low | 193 Ų | 193 | 142 Ų | 142 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | | 77 | 150.1 | 87.7 | -69.1 | -174.6 | -63.2 | 133 | -12.9 | 114.3 | | |
| 625 | E | 28.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | | | cis | -157.7 | 142.6 | 13.2 | -147.6 | 127.2 | -157.7 | 0 | 0 | 115.3 | | |
| 626 | T | 29.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 61.6 | 149.9 | 147.6 | 50 | 0 | 0 | 0 | 0 | 125.8 | | |
| 627 | S | 27.2 | Very low | 31 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | -104.9 | 162.1 | 179.7 | -23.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 628 | Q | 30.1 | Very low | 31.1 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | -175.5 | 153.7 | 159.3 | -104.1 | 146.3 | 104.5 | 0 | 0 | 109.6 | | |
| 629 | V | 27.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | | | cis | -153.7 | -175.8 | -10.7 | 83.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 630 | I | 29.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -65 | 137.4 | -178.9 | -53.8 | 149.9 | 0 | 0 | 0 | 114.4 | | |
| 631 | L | 30.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 130.9 Ų | 130.9 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | | 175.3 | 157.3 | 121.9 | -96.1 | 175.9 | 0 | 0 | 0 | 114.4 | | |
| 632 | R | 31.9 | Very low | 31.4 | Very low | 230 Ų | 230 | 128.3 Ų | 128.3 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | | | trans | -74.5 | 155.1 | 164.2 | -75.4 | 177.3 | 167.8 | 162.6 | -5 | 109.9 | | |
| 633 | P | 31.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 131 Ų | 131 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | | -126.8 | 137.9 | 95.7 | 2.4 | 18.4 | 0 | 0 | 0 | 114.2 | | |
| 634 | G | 28.3 | Very low | 31.4 | Very low | 61 Ų | 61 | 132.8 Ų | 132.8 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | -124.6 | -161.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 635 | P | 38 | Very low | 32.3 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | cis | -118.6 | 168.4 | -17.5 | 39.9 | -28.4 | 0 | 0 | 0 | 111.6 | | |
| 636 | S | 29.2 | Very low | 32.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 165.1 | 131.5 | 132.2 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 637 | P | 37.2 | Very low | 32.4 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -87.7 | 150.8 | 173.6 | 35.6 | -33.4 | 0 | 0 | 0 | 112.1 | | |
| 638 | N | 34.9 | Very low | 33 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | | | trans | 66.7 | 169.1 | 155 | -55.1 | -21.1 | 0 | 0 | 0 | 117.4 | | |
| 639 | P | 39.3 | Very low | 33 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | cis | -125.9 | -174.2 | -18.7 | 20 | 3.9 | 0 | 0 | 0 | 113.5 | | |
| 640 | T | 28.6 | Very low | 33.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | trans | 65.3 | 101.9 | 149.8 | 36.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 641 | A | 35 | Very low | 33.4 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | | 32.5 | 106.6 | 120.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 642 | V | 29.9 | Very low | 33.8 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 76% | 0.758 | 74% | 0.741 | S | S | * | * | | | trans | -103.6 | 114.5 | 148.1 | 177.1 | 0 | 0 | 0 | 0 | 105.2 | | |
| 643 | Q | 30.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 56% | 0.561 | 74% | 0.741 | S | S | * | * | | | | 61.9 | 64.3 | 62.2 | -64.4 | -157 | -11.1 | 0 | 0 | 114.6 | N646 | Q643-N646 PolarHBondContact O-ND2 2.98Š|
| 644 | N | 30.5 | Very low | 34.1 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105 | 136.1 | 131.4 | -55.2 | -47.4 | 0 | 0 | 0 | 105.8 | | |
| 645 | E | 52 | Low | 34.2 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | S | Bend | cis | -54.1 | 147.7 | -3.5 | -46.3 | -48.6 | 111.8 | 0 | 0 | 114.5 | L647 | E645-L647 PolarHBondContact O-N 3.39Š|
| 646 | N | 27.8 | Very low | 34.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | | | trans | -92.7 | 95.9 | 176.1 | -142.2 | -74.1 | 0 | 0 | 0 | 112 | Q643 | Q643-N646 PolarHBondContact O-ND2 2.98Š|
| 647 | L | 31.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 55% | 0.545 | 75% | 0.747 | S | S | . | * | | | trans | 50.5 | 102.7 | 152.4 | -64.3 | 174 | 0 | 0 | 0 | 119.5 | E645 | E645-L647 PolarHBondContact O-N 3.39Š|
| 648 | K | 38.3 | Very low | 33.9 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | | 174.8 | 111.8 | 110.5 | -91.9 | 146.5 | -163.4 | 163 | 0 | 111 | | |
| 649 | S | 30.8 | Very low | 33.8 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | | 69.6 | 134.7 | 88.5 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 650 | M | 34.7 | Very low | 33.3 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | | | cis | -135.8 | 143.3 | 32 | -58 | -179 | -71.3 | 0 | 0 | 110 | | |
| 651 | A | 31.4 | Very low | 33.4 | Very low | 81 Ų | 81 | 145.7 Ų | 145.7 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | cis | 79.2 | 114.4 | 43.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 652 | H | 37.7 | Very low | 33.3 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | | | trans | -163.4 | 172.6 | 132.1 | -96.8 | -48.2 | 0 | 0 | 0 | 112.4 | | |
| 653 | K | 35.3 | Very low | 33.5 | Very low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | -102.7 | 158.9 | -162.7 | -54.3 | 172.9 | 178.2 | 176.6 | 0 | 112.3 | | |
| 654 | R | 35.1 | Very low | 33.4 | Very low | 243 Ų | 243 | 152.6 Ų | 152.6 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | | | | 170.7 | 147 | 98.1 | -161.6 | 167.8 | -147.7 | 145.6 | 1.4 | 115.1 | | |
| 655 | S | 29.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | -30.1 | 129.1 | 164 | -170.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 656 | Q | 35.5 | Very low | 32.2 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | | 74.3 | 118 | 70.5 | -97.8 | -87.2 | 1.7 | 0 | 0 | 116.3 | | |
| 657 | R | 34.7 | Very low | 32.4 | Very low | 224 Ų | 224 | 150.8 Ų | 150.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | trans | 78 | 120.9 | 151.7 | -116.8 | -172.7 | 174.4 | 178.4 | -1 | 124.2 | | |
| 658 | S | 28.9 | Very low | 32.4 | Very low | 95 Ų | 95 | 150.4 Ų | 150.4 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | | 96 | 109.5 | 124.7 | -134.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 659 | S | 32.4 | Very low | 32.1 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | | 66.9 | 129.4 | 125.1 | 60.9 | 0 | 0 | 0 | 0 | 124.9 | | |
| 660 | Y | 28.9 | Very low | 32.2 | Very low | 219 Ų | 219 | 151 Ų | 151 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | 63.7 | 127 | 153.9 | -90.1 | -98.4 | 0 | 0 | 0 | 117.8 | | |
| 661 | T | 30.2 | Very low | 32.1 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | | -167.1 | 145.4 | 62.9 | 42.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 662 | R | 33.3 | Very low | 32 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | | | trans | 34.5 | 139.7 | 138 | -77.4 | -171 | -176.1 | -127.6 | 2.6 | 124.5 | | |
| 663 | L | 33.1 | Very low | 31.7 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | 97.1 | 155.7 | 133 | -82.1 | 166.5 | 0 | 0 | 0 | 122.5 | | |
| 664 | S | 28.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 68 | 123.4 | -177.8 | -132.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 665 | K | 29.3 | Very low | 31.4 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | cis | 102.7 | 92.9 | 18.1 | -166.6 | -177.8 | 176 | -179.6 | 0 | 115 | | |
| 666 | D | 28 | Very low | 31.6 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | | 74.7 | 172 | 125.7 | -147.2 | -0.5 | 0 | 0 | 0 | 120.5 | | |
| 667 | A | 32 | Very low | 31.6 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | trans | 76.7 | 121.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 668 | S | 33.4 | Very low | 31.5 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | | | | 87.9 | 141.6 | 56.7 | -79.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 669 | E | 31 | Very low | 31.7 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | cis | -167.3 | -165 | -3.1 | -121.9 | 168 | 112.5 | 0 | 0 | 111 | | |
| 670 | L | 33.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | 93.4 | 84.2 | 156.2 | -50.7 | -174.7 | 0 | 0 | 0 | 120.5 | | |
| 671 | H | 32.7 | Very low | 32.1 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | | 34.7 | 130.5 | 122.1 | -55.7 | -64.6 | 0 | 0 | 0 | 123.2 | | |
| 672 | A | 29.5 | Very low | 32.6 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | | | | -146.4 | 156.8 | 120.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 673 | A | 31.5 | Very low | 33.2 | Very low | 104 Ų | 104 | 128 Ų | 128 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | -149.3 | 160.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 674 | S | 28.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -161.2 | 136.3 | 157.9 | -155.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 675 | S | 34.9 | Very low | 34.8 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | trans | 45.1 | 129.1 | 148 | -44.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 676 | D | 33.7 | Very low | 35.6 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | | | cis | 99.8 | 141.3 | 32.6 | -83.6 | -46.7 | 0 | 0 | 0 | 116.1 | | |
| 677 | S | 34.9 | Very low | 36.4 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | trans | 82.9 | 113.7 | 155 | -154.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 678 | T | 33.8 | Very low | 36.7 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 59.9 | 145.9 | 138.6 | 53.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 679 | G | 33.1 | Very low | 36.9 | Very low | 67 Ų | 67 | 140.5 Ų | 140.5 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | cis | 169 | 166.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 680 | F | 34.5 | Very low | 37.2 | Very low | 224 Ų | 224 | 139.8 Ų | 139.8 | 98% | 0.982 | 80% | 0.802 | S | S | * | * | | | trans | 9.2 | 145.4 | 168.1 | -78.8 | -92.4 | 0 | 0 | 0 | 123.8 | | |
| 681 | G | 34.4 | Very low | 37.4 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | 145.4 | 87.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 682 | E | 40.5 | Very low | 37.7 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | | 83.6 | 116 | 57.2 | -161.4 | 180 | -134.1 | 0 | 0 | 113.7 | | |
| 683 | E | 45.9 | Very low | 38.2 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | | | trans | 33.9 | 136.8 | 160.3 | 83.7 | -168.8 | 176.1 | 0 | 0 | 121.7 | | |
| 684 | R | 46.6 | Very low | 38.7 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | | -175.1 | 152.1 | 117.9 | -109.5 | 144.2 | -85.8 | -84.4 | -0.6 | 112.4 | | |
| 685 | E | 49.6 | Very low | 39.4 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -101.4 | -179.7 | -177.6 | -55.5 | 175.8 | 117.1 | 0 | 0 | 112.5 | | |
| 686 | S | 44.7 | Very low | 39.7 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | 73.9 | 109.4 | 153.6 | -61.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 687 | I | 45.2 | Very low | 40.2 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -174.6 | 120 | 133.8 | -87.2 | 146 | 0 | 0 | 0 | 102.1 | | |
| 688 | L | 39.5 | Very low | 40.7 | Very low | 235 Ų | 235 | 151.5 Ų | 151.5 | 100% | 1.23 | 82% | 0.816 | S | S | * | * | | | cis | -142.4 | 0 | 31.3 | -143.6 | 163 | 0 | 0 | 0 | 110.8 | | |