| 1 | M | 42.3 | Very low | 35.7 | Very low | 249 Ų | 249 | 132.3 Ų | 132.3 | 100% | 1.227 | 85% | 0.853 | S | S | * | * | | | | 0 | 115 | 0 | -63.4 | 174.6 | -112.6 | 0 | 0 | 106.3 | | |
| 2 | G | 34.1 | Very low | 34.9 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 85% | 0.85 | S | S | * | * | | | cis | 113.9 | 113.9 | 12.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 3 | E | 41.2 | Very low | 34.5 | Very low | 200 Ų | 200 | 126 Ų | 126 | 94% | 0.935 | 85% | 0.851 | S | S | * | * | | | trans | -72.9 | 154.2 | -176.5 | -60.8 | 169.3 | 94.1 | 0 | 0 | 112.8 | | |
| 4 | A | 35.4 | Very low | 34.3 | Very low | 103 Ų | 103 | 124 Ų | 124 | 85% | 0.851 | 85% | 0.848 | S | S | * | * | | | trans | -154.2 | 130.1 | 150 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 5 | T | 43.3 | Very low | 34 | Very low | 129 Ų | 129 | 123 Ų | 123 | 79% | 0.791 | 85% | 0.851 | S | S | * | * | | | trans | -81.4 | 168.4 | 171.6 | -6.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 6 | P | 43.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 75% | 0.753 | 85% | 0.848 | S | S | * | * | | | | -129.4 | 167.9 | 67.1 | 18.6 | 6.4 | 0 | 0 | 0 | 112.5 | | |
| 7 | A | 32.6 | Very low | 33.8 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 69% | 0.694 | 85% | 0.846 | S | S | * | * | | | cis | 65.1 | 144.8 | 49.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 8 | Q | 31.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | | | cis | -161.4 | 169.9 | 9.9 | -153.9 | 178.5 | 5.8 | 0 | 0 | 110.5 | | |
| 9 | S | 28.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | | | trans | 69.3 | 165 | 155.6 | -58.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 10 | A | 29.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 84% | 0.843 | S | S | * | * | | | cis | -167.5 | 169 | -34.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 11 | A | 29.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 95% | 0.95 | 84% | 0.84 | S | S | * | * | | | trans | -83.2 | 154.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 12 | G | 26.5 | Very low | 34.1 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | -168.8 | 153 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 13 | A | 29.9 | Very low | 33.9 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -149.3 | 170.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 14 | A | 30.8 | Very low | 33.6 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | 90.6 | 131.6 | 160 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 15 | A | 30.9 | Very low | 33.3 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | 62.2 | 149.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 16 | G | 29.5 | Very low | 32.9 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | 143.1 | 122.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 17 | T | 35.1 | Very low | 32.3 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | | | trans | -134.4 | 144.4 | 165.2 | 39.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 18 | F | 30.6 | Very low | 32.2 | Very low | 207 Ų | 207 | 120 Ų | 120 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | | | trans | -179.5 | 145.5 | 156.4 | -102.2 | -51.5 | 0 | 0 | 0 | 116.1 | | |
| 19 | V | 35.1 | Very low | 32.4 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | 38 | 152.3 | 157.5 | -108.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 20 | P | 49.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 84% | 0.844 | 83% | 0.834 | S | S | * | * | | | | -141 | -147.2 | 72.6 | 38.7 | -17.1 | 0 | 0 | 0 | 116.6 | | |
| 21 | M | 32.1 | Very low | 33 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | trans | -155.7 | 159.4 | -135.9 | -147.6 | -162.3 | 168.7 | 0 | 0 | 116.8 | | |
| 22 | L | 35.8 | Very low | 33.2 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | | | trans | 75.8 | 151.6 | 155.8 | -69.3 | 173.4 | 0 | 0 | 0 | 124.5 | | |
| 23 | G | 30.8 | Very low | 33.3 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | | | trans | 117.8 | 114 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 24 | V | 33.3 | Very low | 33.7 | Very low | 155 Ų | 155 | 123.2 Ų | 123.2 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | | | cis | 105.7 | 120.6 | 31.1 | 173 | 0 | 0 | 0 | 0 | 113.6 | | |
| 25 | G | 30.9 | Very low | 33.7 | Very low | 65 Ų | 65 | 122 Ų | 122 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | 139.4 | 118.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 26 | L | 34.1 | Very low | 33.8 | Very low | 186 Ų | 186 | 124.7 Ų | 124.7 | 97% | 0.974 | 82% | 0.824 | S | S | * | * | | | | 59.4 | 122.7 | 70.3 | -63.1 | 172.2 | 0 | 0 | 0 | 113.8 | | |
| 27 | G | 31.2 | Very low | 33.8 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | cis | 144.3 | 102.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 28 | A | 30.5 | Very low | 33.8 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -161.9 | 155.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 29 | M | 35.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 122.6 Ų | 122.6 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | | | trans | -126.4 | -176 | 167.8 | -61.2 | -75.7 | -174.4 | 0 | 0 | 106.8 | | |
| 30 | P | 43.5 | Very low | 34 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | | | cis | -135.1 | -167.4 | -2.8 | 43.9 | -26.9 | 0 | 0 | 0 | 113.7 | | |
| 31 | G | 28.6 | Very low | 33.4 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 127.1 | 136.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 32 | G | 31.7 | Very low | 33.5 | Very low | 78 Ų | 78 | 118.3 Ų | 118.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -152.8 | 165.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 33 | V | 30.2 | Very low | 33.8 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -156.3 | 155 | 170.1 | 124.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 34 | V | 37.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -81.3 | 141.7 | -177.2 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 35 | G | 31.4 | Very low | 35 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | trans | -141.4 | 108.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 36 | N | 33.4 | Very low | 35.7 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -85.5 | 130.6 | 176.9 | -71.2 | -13.3 | 0 | 0 | 0 | 110.9 | | |
| 37 | G | 28.6 | Very low | 36.4 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | trans | -155.9 | 141.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 38 | P | 35.6 | Very low | 37.4 | Very low | 126 Ų | 126 | 115.9 Ų | 115.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -81.2 | 129.2 | -160.7 | 30.2 | -35.3 | 0 | 0 | 0 | 114 | V40 | P38-V40 PolarHBondContact O-N 3.47Š|
| 39 | M | 35.4 | Very low | 38.4 | Very low | 183 Ų | 183 | 116.8 Ų | 116.8 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | | | trans | -69 | 117.4 | 162.1 | 58.7 | -156.2 | 172.8 | 0 | 0 | 110.3 | A41 | M39-A41 PolarHBondContact O-N 3.46Å; M39-A41 VanDerWaalsContact O-N 3.11Å |
| 40 | V | 33.5 | Very low | 39.3 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -76.3 | 98.9 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | P38 T42 | P38-V40 PolarHBondContact O-N 3.47Å; V40-T42 PolarHBondContact O-N 3.44Å |
| 41 | A | 38.4 | Very low | 40.1 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | | | trans | -72 | 89 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | M39 S43 | M39-A41 PolarHBondContact O-N 3.46Å; M39-A41 VanDerWaalsContact O-N 3.11Å; A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.22Å |
| 42 | T | 32.6 | Very low | 42.2 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | -78.7 | 74 | 177.4 | -46.7 | 0 | 0 | 0 | 0 | 111.1 | V40 R44 | V40-T42 PolarHBondContact O-N 3.44Å; T42-R44 PolarHBondContact O-N 3.36Å |
| 43 | S | 42.2 | Very low | 44.2 | Very low | 115 Ų | 115 | 115.1 Ų | 115.1 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -68.4 | 91 | 173.5 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | A41 | A41-S43 VanDerWaalsContact C-N 3.27Å; A41-S43 PolarHBondContact O-N 3.22Å |
| 44 | R | 41.6 | Very low | 46.7 | Very low | 226 Ų | 226 | 112.7 Ų | 112.7 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | | | trans | -136.4 | 113.8 | 161.5 | -66.5 | -172.9 | -178.8 | -166.9 | 0.8 | 107 | T42 | T42-R44 PolarHBondContact O-N 3.36Š|
| 45 | G | 47.2 | Very low | 49.1 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 87% | 0.866 | 69% | 0.689 | S | S | * | * | | | cis | 87.3 | 72.8 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 46 | G | 47.2 | Very low | 51.9 | Low | 73 Ų | 73 | 111.2 Ų | 111.2 | 75% | 0.753 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 131.1 | 129 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 47 | S | 48.5 | Very low | 54.7 | Low | 96 Ų | 96 | 105.2 Ų | 105.2 | 67% | 0.671 | 65% | 0.649 | S | S | * | * | | | trans | 65.8 | 59.3 | 172.3 | -152.4 | 0 | 0 | 0 | 0 | 117.6 | P50 | S47-P50 WeakPolarHBondContact OG-CG 3.5Š|
| 48 | A | 51.3 | Low | 57.7 | Low | 64 Ų | 64 | 106.7 Ų | 106.7 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | | | trans | -88 | -28.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q51 L52 | A48-Q51 WeakPolarHBondContact O-CB 3.32Å; A48-Q51 PolarHBondContact O-N 3.37Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; A48-L52 PolarHBondContact O-N 3.16Å; A48-L52 VanDerWaalsContact O-N 3.07Å |
| 49 | D | 52 | Low | 60.3 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -56.2 | -50.2 | -173.1 | -177.2 | 47.5 | 0 | 0 | 0 | 115.7 | Q51 L52 H53 | D49-Q51 PolarHBondContact O-N 3.38Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; D49-L52 WeakPolarHBondContact O-CB 3.49Å; D49-L52 PolarHBondContact O-N 3.45Å; D49-H53 PolarHBondContact O-N 3.48Å |
| 50 | P | 53.9 | Low | 63.1 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 42% | 0.416 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.9 | -22.3 | 178.3 | 25.5 | -34.8 | 0 | 0 | 0 | 112.9 | S47 N54 | S47-P50 WeakPolarHBondContact OG-CG 3.5Å; P50-N54 PolarHBondContact O-N 3.2Å; P50-N54 PolarHBondContact O-ND2 3.47Å |
| 51 | Q | 62.3 | Low | 66.1 | Low | 151 Ų | 151 | 105.8 Ų | 105.8 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.1 | -37.1 | 175 | -162 | 170.9 | 5.9 | 0 | 0 | 111.4 | A48 D49 A55 | A48-Q51 WeakPolarHBondContact O-CB 3.32Å; A48-Q51 PolarHBondContact O-N 3.37Å; A48-Q51 VanDerWaalsContact O-N 3.1Å; D49-Q51 PolarHBondContact O-N 3.38Å; D49-Q51 VanDerWaalsContact O-N 3.09Å; Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.23Å |
| 52 | L | 72.4 | Confident | 68.7 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -45.5 | 170.6 | -67.9 | 173.8 | 0 | 0 | 0 | 111.6 | A48 D49 N54 A55 I56 | A48-L52 PolarHBondContact O-N 3.16Å; A48-L52 VanDerWaalsContact O-N 3.07Å; D49-L52 WeakPolarHBondContact O-CB 3.49Å; D49-L52 PolarHBondContact O-N 3.45Å; L52-N54 PolarHBondContact O-N 3.41Å; L52-A55 PolarHBondContact O-N 3.37Å; L52-A55 VanDerWaalsContact O-N 3.17Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.04Å |
| 53 | H | 73.6 | Confident | 71.7 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.6 | -47.1 | 176.4 | -174.2 | 91.1 | 0 | 0 | 0 | 111.7 | D49 A55 I56 V57 | D49-H53 PolarHBondContact O-N 3.48Å; H53-A55 PolarHBondContact O-N 2.83Å; H53-I56 PolarHBondContact O-N 3.15Å; H53-V57 WeakPolarHBondContact O-CG2 3.32Å; H53-V57 PolarHBondContact O-N 3.12Å |
| 54 | N | 82.7 | Confident | 74.3 | Confident | 99 Ų | 99 | 104.4 Ų | 104.4 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -41.5 | 175.6 | -84.4 | -80.7 | 0 | 0 | 0 | 112.4 | P50 L52 I56 V57 E58 | P50-N54 PolarHBondContact O-N 3.2Å; P50-N54 PolarHBondContact O-ND2 3.47Å; L52-N54 PolarHBondContact O-N 3.41Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.45Å; N54-V57 PolarHBondContact O-N 3.43Å; N54-E58 PolarHBondContact O-N 3.32Å |
| 55 | A | 86.5 | Confident | 76.9 | Confident | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q51 L52 H53 R59 | Q51-A55 WeakPolarHBondContact O-CB 3.43Å; Q51-A55 PolarHBondContact O-N 3.23Å; L52-A55 PolarHBondContact O-N 3.37Å; L52-A55 VanDerWaalsContact O-N 3.17Å; H53-A55 PolarHBondContact O-N 2.83Å; A55-R59 VanDerWaalsContact O-CB 3.26Å; A55-R59 WeakPolarHBondContact O-CB 3.31Å; A55-R59 PolarHBondContact O-N 3.36Å |
| 56 | I | 90.2 | Very high | 79 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 174.6 | -69.1 | 163 | 0 | 0 | 0 | 110.5 | L52 H53 N54 R59 L60 | L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.04Å; H53-I56 PolarHBondContact O-N 3.15Å; N54-I56 VanDerWaalsContact C-N 3.34Å; N54-I56 PolarHBondContact O-N 3.45Å; I56-R59 CarbonylContact O-C 3.6Å; I56-R59 PolarHBondContact O-N 3.26Å; I56-L60 WeakPolarHBondContact O-CB 3.37Å; I56-L60 PolarHBondContact O-N 2.81Å |
| 57 | V | 93.6 | Very high | 81.2 | Confident | 38 Ų | 38 | 102.9 Ų | 102.9 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 177 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | H53 N54 L60 R61 | H53-V57 WeakPolarHBondContact O-CG2 3.32Å; H53-V57 PolarHBondContact O-N 3.12Å; N54-V57 PolarHBondContact O-N 3.43Å; V57-L60 WeakPolarHBondContact O-CB 3.49Å; V57-L60 PolarHBondContact O-N 2.94Å; V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.22Å |
| 58 | E | 91.9 | Very high | 83.5 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 173.6 | -76.4 | -55.3 | 127.7 | 0 | 0 | 112.3 | N54 L60 R61 A62 | N54-E58 PolarHBondContact O-N 3.32Å; E58-L60 PolarHBondContact O-N 3.29Å; E58-R61 PolarHBondContact O-N 3.27Å; E58-R61 WeakPolarHBondContact OE1-CD 3.35Å; E58-R61 IonicContact OE1-CZ 2.64Å; E58-R61 IonicContact OE1-NE 3.73Å; E58-R61 IonicContact OE1-NH1 3.69Å; E58-R61 PolarHBondContact OE1-NH1 3.31Å; E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.36Å |
| 59 | R | 89.3 | Confident | 85.6 | Confident | 178 Ų | 178 | 110.9 Ų | 110.9 | 67% | 0.672 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.7 | -18.9 | 174.5 | -164.2 | 173.6 | -175.3 | -179.5 | 2.1 | 112.9 | A55 I56 R63 | A55-R59 VanDerWaalsContact O-CB 3.26Å; A55-R59 WeakPolarHBondContact O-CB 3.31Å; A55-R59 PolarHBondContact O-N 3.36Å; I56-R59 CarbonylContact O-C 3.6Å; I56-R59 PolarHBondContact O-N 3.26Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-NE 3.3Å |
| 60 | L | 95.4 | Very high | 87.7 | Confident | 91 Ų | 91 | 111 Ų | 111 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -82.5 | -46.3 | 169.7 | -178.7 | 59.9 | 0 | 0 | 0 | 111.3 | I56 V57 E58 A62 R63 I64 | I56-L60 WeakPolarHBondContact O-CB 3.37Å; I56-L60 PolarHBondContact O-N 2.81Å; V57-L60 WeakPolarHBondContact O-CB 3.49Å; V57-L60 PolarHBondContact O-N 2.94Å; E58-L60 PolarHBondContact O-N 3.29Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.04Å; L60-R63 PolarHBondContact O-N 3.29Å; L60-R63 VanDerWaalsContact O-N 3.16Å; L60-I64 HydrophobicContact CD1-CD1 4.14Å; L60-I64 HydrophobicContact CD1-CG1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.92Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 3.16Å |
| 61 | R | 95.1 | Very high | 89.7 | Confident | 145 Ų | 145 | 113.9 Ų | 113.9 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.3 | -47.3 | 173.5 | -74.5 | 167.1 | 176.9 | 175.8 | 1.9 | 111.5 | V57 E58 R63 I64 E65 | V57-R61 WeakPolarHBondContact O-CG 3.41Å; V57-R61 PolarHBondContact O-N 3.22Å; E58-R61 PolarHBondContact O-N 3.27Å; E58-R61 WeakPolarHBondContact OE1-CD 3.35Å; E58-R61 IonicContact OE1-CZ 2.64Å; E58-R61 IonicContact OE1-NE 3.73Å; E58-R61 IonicContact OE1-NH1 3.69Å; E58-R61 PolarHBondContact OE1-NH1 3.31Å; R61-R63 PolarHBondContact O-N 3.43Å; R61-I64 PolarHBondContact O-N 3.13Å; R61-E65 WeakPolarHBondContact O-CB 3.18Å; R61-E65 PolarHBondContact O-N 3.38Å |
| 62 | A | 94.2 | Very high | 91.2 | Very high | 62 Ų | 62 | 109.4 Ų | 109.4 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E58 L60 Q66 | E58-A62 WeakPolarHBondContact O-CB 3.37Å; E58-A62 PolarHBondContact O-N 3.36Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.04Å; A62-Q66 WeakPolarHBondContact O-CB 3.21Å; A62-Q66 PolarHBondContact O-N 3.11Å |
| 63 | R | 94.5 | Very high | 92.2 | Very high | 124 Ų | 124 | 107.7 Ų | 107.7 | 47% | 0.468 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.8 | -40.6 | 176.4 | -80.1 | -174.7 | -78.4 | -174.8 | -0.4 | 112.7 | R59 L60 R61 E65 Q66 F67 | R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-NE 3.3Å; L60-R63 PolarHBondContact O-N 3.29Å; L60-R63 VanDerWaalsContact O-N 3.16Å; R61-R63 PolarHBondContact O-N 3.43Å; R63-E65 VanDerWaalsContact C-N 3.32Å; R63-E65 PolarHBondContact O-N 3.22Å; R63-Q66 WeakPolarHBondContact O-CB 3.41Å; R63-Q66 PolarHBondContact O-N 3.3Å; R63-F67 HydrophobicContact CB-CE2 4.46Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.38Å |
| 64 | I | 96.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 104.6 Ų | 104.6 | 48% | 0.477 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 174.3 | -69.8 | 166.8 | 0 | 0 | 0 | 110.5 | L60 R61 F67 R68 | L60-I64 HydrophobicContact CD1-CD1 4.14Å; L60-I64 HydrophobicContact CD1-CG1 4.33Å; L60-I64 HydrophobicContact CG-CD1 3.92Å; L60-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 3.16Å; R61-I64 PolarHBondContact O-N 3.13Å; I64-F67 PolarHBondContact O-N 3.18Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 2.87Å |
| 65 | E | 96.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 104.2 Ų | 104.2 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | 177 | 176.6 | 58.1 | -173.7 | 0 | 0 | 112.4 | R61 R63 R68 R69 | R61-E65 WeakPolarHBondContact O-CB 3.18Å; R61-E65 PolarHBondContact O-N 3.38Å; R63-E65 VanDerWaalsContact C-N 3.32Å; R63-E65 PolarHBondContact O-N 3.22Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE2-NE 2.65Å; E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 2.95Å; E65-R69 IonicContact OE1-CZ 3.2Å; E65-R69 IonicContact OE1-NE 2.74Å; E65-R69 PolarHBondContact OE1-NE 3.46Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å |
| 66 | Q | 91.3 | Very high | 94.2 | Very high | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 170.2 | -172.8 | 179 | 4.3 | 0 | 0 | 111.7 | A62 R63 R69 H70 | A62-Q66 WeakPolarHBondContact O-CB 3.21Å; A62-Q66 PolarHBondContact O-N 3.11Å; R63-Q66 WeakPolarHBondContact O-CB 3.41Å; R63-Q66 PolarHBondContact O-N 3.3Å; Q66-R69 PolarHBondContact O-N 3.36Å; Q66-H70 WeakPolarHBondContact O-CB 3.24Å; Q66-H70 PolarHBondContact O-N 2.84Å |
| 67 | F | 94.6 | Very high | 94.3 | Very high | 146 Ų | 146 | 109.4 Ų | 109.4 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 174.1 | -73 | -58.8 | 0 | 0 | 0 | 112.5 | R63 I64 H70 H71 | R63-F67 HydrophobicContact CB-CE2 4.46Å; R63-F67 WeakPolarHBondContact O-CD2 3.24Å; R63-F67 PolarHBondContact O-N 3.38Å; I64-F67 PolarHBondContact O-N 3.18Å; F67-H70 PolarHBondContact O-N 3.35Å; F67-H71 WeakPolarHBondContact O-CB 3.46Å; F67-H71 PolarHBondContact O-N 2.9Å |
| 68 | R | 96.5 | Very high | 94.4 | Very high | 169 Ų | 169 | 115 Ų | 115 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -44.8 | 174 | -72.9 | 177.7 | 60.9 | 73.4 | 4.8 | 112.1 | I64 E65 H71 S72 | I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 2.87Å; E65-R68 PolarHBondContact O-N 3.3Å; E65-R68 IonicContact OE2-NE 2.65Å; R68-H71 PolarHBondContact O-N 3.33Å; R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 3.09Å |
| 69 | R | 95.8 | Very high | 94.4 | Very high | 160 Ų | 160 | 115.9 Ų | 115.9 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -41.3 | 176.1 | -69.6 | 173.7 | -169.2 | -168.6 | 5.4 | 112 | E65 Q66 T73 | E65-R69 WeakPolarHBondContact O-CG 3.42Å; E65-R69 PolarHBondContact O-N 2.95Å; E65-R69 IonicContact OE1-CZ 3.2Å; E65-R69 IonicContact OE1-NE 2.74Å; E65-R69 PolarHBondContact OE1-NE 3.46Å; E65-R69 IonicContact OE1-NH2 2.79Å; E65-R69 PolarHBondContact OE1-NH2 3.3Å; Q66-R69 PolarHBondContact O-N 3.36Å; R69-T73 WeakPolarHBondContact O-CB 3.32Å; R69-T73 PolarHBondContact O-N 2.72Å; R69-T73 PolarHBondContact O-OG1 3.45Å |
| 70 | H | 95.6 | Very high | 94.4 | Very high | 120 Ų | 120 | 115.4 Ų | 115.4 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 174.9 | -178.8 | 83.4 | 0 | 0 | 0 | 111.5 | Q66 F67 S72 T73 C74 | Q66-H70 WeakPolarHBondContact O-CB 3.24Å; Q66-H70 PolarHBondContact O-N 2.84Å; F67-H70 PolarHBondContact O-N 3.35Å; H70-S72 PolarHBondContact O-N 3.33Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 PolarHBondContact O-N 2.85Å; H70-T73 VanDerWaalsContact O-N 3.12Å; H70-C74 VanDerWaalsContact CE1-SG 3.58Å; H70-C74 PolarHBondContact NE2-SG 3.44Å; H70-C74 VanDerWaalsContact NE2-SG 3.39Å; H70-C74 PolarHBondContact O-N 3.46Å; H70-C74 PolarHBondContact O-SG 2.9Å |
| 71 | H | 95.4 | Very high | 94.1 | Very high | 125 Ų | 125 | 112.7 Ų | 112.7 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.2 | -50.3 | 176.9 | -173.2 | -69.9 | 0 | 0 | 0 | 111.5 | F67 R68 T73 C74 E75 | F67-H71 WeakPolarHBondContact O-CB 3.46Å; F67-H71 PolarHBondContact O-N 2.9Å; R68-H71 PolarHBondContact O-N 3.33Å; H71-T73 VanDerWaalsContact C-N 3.29Å; H71-T73 PolarHBondContact O-N 3.27Å; H71-C74 PolarHBondContact O-N 3.49Å; H71-E75 IonicContact CE1-OE2 2.65Å; H71-E75 IonicContact ND1-OE2 2.63Å; H71-E75 PolarHBondContact ND1-OE2 3.5Å; H71-E75 VanDerWaalsContact O-CB 3.29Å; H71-E75 WeakPolarHBondContact O-CB 3.25Å; H71-E75 PolarHBondContact O-N 3.07Å |
| 72 | S | 94.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 110.3 Ų | 110.3 | 40% | 0.399 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -36.5 | 177.7 | -173.5 | 0 | 0 | 0 | 0 | 112.4 | R68 H70 N76 | R68-S72 WeakPolarHBondContact O-CB 3.46Å; R68-S72 PolarHBondContact O-N 3.09Å; H70-S72 PolarHBondContact O-N 3.33Å; S72-N76 WeakPolarHBondContact O-CB 3.42Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.93Å |
| 73 | T | 93.7 | Very high | 93.3 | Very high | 68 Ų | 68 | 109.8 Ų | 109.8 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.3 | -57 | 0 | 0 | 0 | 0 | 111.7 | R69 H70 H71 N76 R77 | R69-T73 WeakPolarHBondContact O-CB 3.32Å; R69-T73 PolarHBondContact O-N 2.72Å; R69-T73 PolarHBondContact O-OG1 3.45Å; H70-T73 WeakPolarHBondContact O-CB 3.43Å; H70-T73 PolarHBondContact O-N 2.85Å; H70-T73 VanDerWaalsContact O-N 3.12Å; H71-T73 VanDerWaalsContact C-N 3.29Å; H71-T73 PolarHBondContact O-N 3.27Å; T73-N76 PolarHBondContact O-N 2.9Å; T73-R77 WeakPolarHBondContact O-CG 3.47Å; T73-R77 PolarHBondContact O-N 3.07Å |
| 74 | C | 94.8 | Very high | 92.9 | Very high | 52 Ų | 52 | 109.3 Ų | 109.3 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -37.7 | 177.8 | -69.5 | 0 | 0 | 0 | 0 | 112 | H70 H71 R77 Y78 | H70-C74 VanDerWaalsContact CE1-SG 3.58Å; H70-C74 PolarHBondContact NE2-SG 3.44Å; H70-C74 VanDerWaalsContact NE2-SG 3.39Å; H70-C74 PolarHBondContact O-N 3.46Å; H70-C74 PolarHBondContact O-SG 2.9Å; H71-C74 PolarHBondContact O-N 3.49Å; C74-R77 PolarHBondContact O-N 2.99Å; C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.49Å |
| 75 | E | 95.6 | Very high | 92.5 | Very high | 90 Ų | 90 | 107.3 Ų | 107.3 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 173.4 | -176.5 | 173 | -171.1 | 0 | 0 | 112 | H71 R77 Y78 Q79 | H71-E75 IonicContact CE1-OE2 2.65Å; H71-E75 IonicContact ND1-OE2 2.63Å; H71-E75 PolarHBondContact ND1-OE2 3.5Å; H71-E75 VanDerWaalsContact O-CB 3.29Å; H71-E75 WeakPolarHBondContact O-CB 3.25Å; H71-E75 PolarHBondContact O-N 3.07Å; E75-R77 PolarHBondContact O-N 3.37Å; E75-Y78 PolarHBondContact O-N 3.29Å; E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.16Å |
| 76 | N | 93.6 | Very high | 92 | Very high | 96 Ų | 96 | 107.2 Ų | 107.2 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 173.6 | -85.4 | -82.9 | 0 | 0 | 0 | 112.4 | S72 T73 R80 | S72-N76 WeakPolarHBondContact O-CB 3.42Å; S72-N76 PolarHBondContact O-N 3.43Å; S72-N76 PolarHBondContact O-ND2 2.93Å; T73-N76 PolarHBondContact O-N 2.9Å; N76-R80 WeakPolarHBondContact O-CB 3.49Å; N76-R80 PolarHBondContact O-N 3.46Å |
| 77 | R | 92.5 | Very high | 91.8 | Very high | 182 Ų | 182 | 105.8 Ų | 105.8 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 173.6 | -73.4 | 175.4 | -177.7 | -163 | 0.6 | 111.7 | T73 C74 E75 R80 G81 | T73-R77 WeakPolarHBondContact O-CG 3.47Å; T73-R77 PolarHBondContact O-N 3.07Å; C74-R77 PolarHBondContact O-N 2.99Å; E75-R77 PolarHBondContact O-N 3.37Å; R77-R80 PolarHBondContact O-N 3.01Å; R77-G81 PolarHBondContact O-N 2.89Å |
| 78 | Y | 95.3 | Very high | 91.6 | Very high | 154 Ų | 154 | 108.4 Ų | 108.4 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 178.3 | -175.7 | -98.9 | 0 | 0 | 0 | 112.1 | C74 E75 R80 G81 Q82 | C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.49Å; E75-Y78 PolarHBondContact O-N 3.29Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 3.21Å; Y78-G81 PolarHBondContact O-N 3.09Å; Y78-Q82 HydrophobicContact CD1-CG 4.18Å; Y78-Q82 HydrophobicContact CE1-CG 3.84Å; Y78-Q82 WeakPolarHBondContact O-CB 3.3Å; Y78-Q82 VanDerWaalsContact O-CG 3.31Å; Y78-Q82 WeakPolarHBondContact O-CG 3.39Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Y78-Q82 PolarHBondContact OH-NE2 2.88Å |
| 79 | Q | 91.4 | Very high | 91.2 | Very high | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.8 | -71.5 | -176.6 | 18.5 | 0 | 0 | 112 | E75 Q82 A83 | E75-Q79 WeakPolarHBondContact O-CG 3.39Å; E75-Q79 PolarHBondContact O-N 3.16Å; Q79-Q82 PolarHBondContact O-N 2.82Å; Q79-A83 PolarHBondContact O-N 3.42Å |
| 80 | R | 90.3 | Very high | 91 | Very high | 168 Ų | 168 | 103.8 Ų | 103.8 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -49.2 | 173.8 | -174.1 | -176 | -60.4 | -158.9 | -1.3 | 111.9 | N76 R77 Y78 Q82 A83 E84 | N76-R80 WeakPolarHBondContact O-CB 3.49Å; N76-R80 PolarHBondContact O-N 3.46Å; R77-R80 PolarHBondContact O-N 3.01Å; Y78-R80 VanDerWaalsContact C-N 3.33Å; Y78-R80 PolarHBondContact O-N 3.21Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 3.24Å; R80-A83 WeakPolarHBondContact O-CB 3.4Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.11Å; R80-E84 WeakPolarHBondContact CD-OE1 3.21Å; R80-E84 HydrophobicContact CG-CG 4.29Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.45Å |
| 81 | G | 89.8 | Confident | 90.7 | Very high | 34 Ų | 34 | 104 Ų | 104 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R77 Y78 S85 | R77-G81 PolarHBondContact O-N 2.89Å; Y78-G81 PolarHBondContact O-N 3.09Å; G81-S85 VanDerWaalsContact O-CB 3.27Å; G81-S85 WeakPolarHBondContact O-CB 3.26Å; G81-S85 PolarHBondContact O-N 3.43Å |
| 82 | Q | 87.8 | Confident | 90.5 | Very high | 95 Ų | 95 | 102.5 Ų | 102.5 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 172.5 | -75.3 | -71.5 | -3.8 | 0 | 0 | 112.4 | Y78 Q79 R80 S85 S86 | Y78-Q82 HydrophobicContact CD1-CG 4.18Å; Y78-Q82 HydrophobicContact CE1-CG 3.84Å; Y78-Q82 WeakPolarHBondContact O-CB 3.3Å; Y78-Q82 VanDerWaalsContact O-CG 3.31Å; Y78-Q82 WeakPolarHBondContact O-CG 3.39Å; Y78-Q82 PolarHBondContact O-N 3.42Å; Y78-Q82 PolarHBondContact OH-NE2 2.88Å; Q79-Q82 PolarHBondContact O-N 2.82Å; R80-Q82 VanDerWaalsContact C-N 3.26Å; R80-Q82 PolarHBondContact O-N 3.24Å; Q82-S85 PolarHBondContact O-N 2.89Å; Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.27Å; Q82-S86 PolarHBondContact O-N 2.9Å |
| 83 | A | 83.4 | Confident | 90.3 | Very high | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q79 R80 S85 S86 D87 | Q79-A83 PolarHBondContact O-N 3.42Å; R80-A83 WeakPolarHBondContact O-CB 3.4Å; R80-A83 PolarHBondContact O-N 2.86Å; R80-A83 VanDerWaalsContact O-N 3.11Å; A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 2.8Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 VanDerWaalsContact O-N 3.12Å; A83-D87 PolarHBondContact O-N 2.72Å |
| 84 | E | 86.3 | Confident | 90.1 | Very high | 115 Ų | 115 | 103.4 Ų | 103.4 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -33.3 | 177.8 | -69.8 | 170.7 | -175.7 | 0 | 0 | 112.6 | R80 R88 | R80-E84 WeakPolarHBondContact CD-OE1 3.21Å; R80-E84 HydrophobicContact CG-CG 4.29Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.29Å; R80-E84 PolarHBondContact O-N 3.45Å; E84-R88 VanDerWaalsContact O-CB 3.24Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 PolarHBondContact O-N 2.9Å; E84-R88 VanDerWaalsContact O-N 3.16Å |
| 85 | S | 87.2 | Confident | 89.7 | Confident | 50 Ų | 50 | 106.6 Ų | 106.6 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -46 | 171.9 | -163.2 | 0 | 0 | 0 | 0 | 111.9 | G81 Q82 A83 D87 R88 E89 | G81-S85 VanDerWaalsContact O-CB 3.27Å; G81-S85 WeakPolarHBondContact O-CB 3.26Å; G81-S85 PolarHBondContact O-N 3.43Å; Q82-S85 PolarHBondContact O-N 2.89Å; A83-S85 VanDerWaalsContact C-N 3.28Å; A83-S85 PolarHBondContact O-N 2.8Å; S85-D87 VanDerWaalsContact C-N 3.35Å; S85-D87 PolarHBondContact O-N 3.04Å; S85-R88 PolarHBondContact O-N 3.44Å; S85-E89 WeakPolarHBondContact O-CB 3.22Å; S85-E89 WeakPolarHBondContact O-CG 3.31Å; S85-E89 PolarHBondContact O-N 3.02Å; S85-E89 PolarHBondContact OG-OE1 3.31Å |
| 86 | S | 86.6 | Confident | 89.2 | Confident | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 112 | Q82 A83 E89 H90 | Q82-S86 VanDerWaalsContact O-CB 3.3Å; Q82-S86 WeakPolarHBondContact O-CB 3.27Å; Q82-S86 PolarHBondContact O-N 2.9Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 VanDerWaalsContact O-N 3.12Å; S86-E89 PolarHBondContact O-N 3.12Å; S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 2.87Å |
| 87 | D | 88.3 | Confident | 88.9 | Confident | 103 Ų | 103 | 106.7 Ų | 106.7 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 176.3 | -69.4 | -20.3 | 0 | 0 | 0 | 110.9 | A83 S85 H90 E91 | A83-D87 PolarHBondContact O-N 2.72Å; S85-D87 VanDerWaalsContact C-N 3.35Å; S85-D87 PolarHBondContact O-N 3.04Å; D87-H90 WeakPolarHBondContact O-CB 3.39Å; D87-H90 PolarHBondContact O-N 3.11Å; D87-E91 PolarHBondContact O-N 3.44Å |
| 88 | R | 89 | Confident | 88.4 | Confident | 201 Ų | 201 | 102 Ų | 102 | 76% | 0.758 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.3 | -33.4 | 176.2 | -167.4 | 171.8 | -171 | 151.7 | 1.9 | 113 | E84 S85 N92 | E84-R88 VanDerWaalsContact O-CB 3.24Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 PolarHBondContact O-N 2.9Å; E84-R88 VanDerWaalsContact O-N 3.16Å; S85-R88 PolarHBondContact O-N 3.44Å; R88-N92 VanDerWaalsContact O-CB 3.24Å; R88-N92 WeakPolarHBondContact O-CB 3.35Å; R88-N92 PolarHBondContact O-N 3.42Å |
| 89 | E | 88.5 | Confident | 87.9 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.9 | -36.4 | 170.1 | -76.5 | 175 | -140.2 | 0 | 0 | 111.7 | S85 S86 T93 | S85-E89 WeakPolarHBondContact O-CB 3.22Å; S85-E89 WeakPolarHBondContact O-CG 3.31Å; S85-E89 PolarHBondContact O-N 3.02Å; S85-E89 PolarHBondContact OG-OE1 3.31Å; S86-E89 PolarHBondContact O-N 3.12Å; E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 PolarHBondContact O-N 3.49Å; E89-T93 PolarHBondContact O-OG1 2.91Å |
| 90 | H | 92.1 | Very high | 87.1 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -50.6 | 173.9 | -169.8 | 65.6 | 0 | 0 | 0 | 111.5 | S86 D87 N92 T93 L94 | S86-H90 WeakPolarHBondContact O-CB 3.46Å; S86-H90 PolarHBondContact O-N 2.87Å; D87-H90 WeakPolarHBondContact O-CB 3.39Å; D87-H90 PolarHBondContact O-N 3.11Å; H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.07Å; H90-T93 CarbonylContact O-C 3.58Å; H90-T93 WeakPolarHBondContact O-CA 3.31Å; H90-T93 WeakPolarHBondContact O-CB 3.44Å; H90-T93 PolarHBondContact O-N 3.31Å; H90-T93 VanDerWaalsContact O-N 3.09Å; H90-L94 WeakPolarHBondContact O-CG 3.29Å; H90-L94 PolarHBondContact O-N 3.29Å |
| 91 | E | 89.4 | Confident | 86.1 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -42.3 | 175.2 | -78 | -63.5 | 123.8 | 0 | 0 | 112.2 | D87 T93 L94 H95 | D87-E91 PolarHBondContact O-N 3.44Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 2.85Å; E91-L94 PolarHBondContact O-N 2.87Å; E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 2.8Å |
| 92 | N | 90.6 | Very high | 84.9 | Confident | 94 Ų | 94 | 104.1 Ų | 104.1 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.8 | -171.5 | 15.7 | 0 | 0 | 0 | 111.7 | R88 H90 H95 L96 | R88-N92 VanDerWaalsContact O-CB 3.24Å; R88-N92 WeakPolarHBondContact O-CB 3.35Å; R88-N92 PolarHBondContact O-N 3.42Å; H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.07Å; N92-H95 PolarHBondContact O-N 3.4Å; N92-L96 WeakPolarHBondContact O-CB 3.35Å; N92-L96 WeakPolarHBondContact O-CG 3.25Å; N92-L96 PolarHBondContact O-N 3.18Å |
| 93 | T | 90.8 | Very high | 83.3 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 175.1 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E89 H90 E91 L96 L97 | E89-T93 WeakPolarHBondContact O-CB 3.38Å; E89-T93 PolarHBondContact O-N 3.49Å; E89-T93 PolarHBondContact O-OG1 2.91Å; H90-T93 CarbonylContact O-C 3.58Å; H90-T93 WeakPolarHBondContact O-CA 3.31Å; H90-T93 WeakPolarHBondContact O-CB 3.44Å; H90-T93 PolarHBondContact O-N 3.31Å; H90-T93 VanDerWaalsContact O-N 3.09Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 2.85Å; T93-L96 PolarHBondContact O-N 2.85Å; T93-L97 HydrophobicContact CG2-CD1 4.14Å; T93-L97 WeakPolarHBondContact O-CB 3.35Å; T93-L97 VanDerWaalsContact O-CG 3.25Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 2.97Å |
| 94 | L | 88.3 | Confident | 81.9 | Confident | 72 Ų | 72 | 106.3 Ų | 106.3 | 38% | 0.377 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.1 | -41 | 174 | -70.9 | 177.1 | 0 | 0 | 0 | 111.6 | H90 E91 L97 N98 | H90-L94 WeakPolarHBondContact O-CG 3.29Å; H90-L94 PolarHBondContact O-N 3.29Å; E91-L94 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.14Å; L94-N98 VanDerWaalsContact O-CB 3.31Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.48Å |
| 95 | H | 87.3 | Confident | 80.4 | Confident | 119 Ų | 119 | 103.7 Ų | 103.7 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 175.9 | -173.1 | -105.6 | 0 | 0 | 0 | 111.9 | E91 N92 N98 I99 | E91-H95 WeakPolarHBondContact O-CB 3.44Å; E91-H95 PolarHBondContact O-N 2.8Å; N92-H95 PolarHBondContact O-N 3.4Å; H95-N98 PolarHBondContact O-N 3.43Å; H95-I99 WeakPolarHBondContact O-CG1 3.32Å; H95-I99 PolarHBondContact O-N 2.92Å |
| 96 | L | 85.7 | Confident | 78.7 | Confident | 97 Ų | 97 | 108 Ų | 108 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -45.2 | 171.5 | -79 | 160.7 | 0 | 0 | 0 | 112.2 | N92 T93 N98 I99 V100 | N92-L96 WeakPolarHBondContact O-CB 3.35Å; N92-L96 WeakPolarHBondContact O-CG 3.25Å; N92-L96 PolarHBondContact O-N 3.18Å; T93-L96 PolarHBondContact O-N 2.85Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.26Å; L96-I99 PolarHBondContact O-N 3.15Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.13Å |
| 97 | L | 85.8 | Confident | 76.9 | Confident | 90 Ų | 90 | 116.8 Ų | 116.8 | 47% | 0.471 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -37.7 | 175.6 | -74.2 | 167.1 | 0 | 0 | 0 | 112.1 | T93 L94 V100 Q101 | T93-L97 HydrophobicContact CG2-CD1 4.14Å; T93-L97 WeakPolarHBondContact O-CB 3.35Å; T93-L97 VanDerWaalsContact O-CG 3.25Å; T93-L97 WeakPolarHBondContact O-CG 3.5Å; T93-L97 PolarHBondContact O-N 2.97Å; L94-L97 PolarHBondContact O-N 3.14Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-Q101 WeakPolarHBondContact O-CB 3.48Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.31Å |
| 98 | N | 82.8 | Confident | 74.8 | Confident | 83 Ų | 83 | 120.5 Ų | 120.5 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.3 | -45.2 | 176.4 | -166.1 | -34.5 | 0 | 0 | 0 | 111.1 | L94 H95 L96 V100 Q101 Q102 | L94-N98 VanDerWaalsContact O-CB 3.31Å; L94-N98 WeakPolarHBondContact O-CB 3.46Å; L94-N98 PolarHBondContact O-N 3.48Å; H95-N98 PolarHBondContact O-N 3.43Å; L96-N98 VanDerWaalsContact C-N 3.32Å; L96-N98 PolarHBondContact O-N 3.26Å; N98-V100 VanDerWaalsContact C-N 3.31Å; N98-V100 PolarHBondContact O-N 2.65Å; N98-Q101 PolarHBondContact O-N 3.4Å; N98-Q102 WeakPolarHBondContact O-CG 3.38Å; N98-Q102 PolarHBondContact O-N 3.1Å; N98-Q102 PolarHBondContact OD1-NE2 2.9Å |
| 99 | I | 83.8 | Confident | 72.6 | Confident | 94 Ų | 94 | 116.7 Ų | 116.7 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58.3 | -42.1 | 172.9 | -69.8 | 165.2 | 0 | 0 | 0 | 111.4 | H95 L96 Q102 | H95-I99 WeakPolarHBondContact O-CG1 3.32Å; H95-I99 PolarHBondContact O-N 2.92Å; L96-I99 PolarHBondContact O-N 3.15Å; I99-Q102 CarbonylContact O-C 3.52Å; I99-Q102 PolarHBondContact O-N 2.87Å |
| 100 | V | 76.2 | Confident | 70.2 | Confident | 112 Ų | 112 | 120.7 Ų | 120.7 | 68% | 0.679 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.5 | -35.3 | 177.6 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | L96 L97 N98 G103 | L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.06Å; N98-V100 VanDerWaalsContact C-N 3.31Å; N98-V100 PolarHBondContact O-N 2.65Å; V100-G103 PolarHBondContact O-N 3.41Å |
| 101 | Q | 69.2 | Low | 67.6 | Low | 167 Ų | 167 | 119.3 Ų | 119.3 | 78% | 0.78 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.7 | -26.8 | 173.4 | -73.5 | -178.8 | 7.4 | 0 | 0 | 112.9 | L97 N98 G103 | L97-Q101 WeakPolarHBondContact O-CB 3.48Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.31Å; N98-Q101 PolarHBondContact O-N 3.4Å; Q101-G103 PolarHBondContact O-N 3.36Å; Q101-G103 VanDerWaalsContact O-N 3.09Å |
| 102 | Q | 63.6 | Low | 64.9 | Low | 146 Ų | 146 | 119.4 Ų | 119.4 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 30.9 | 167.2 | -67.6 | -173.6 | 56.6 | 0 | 0 | 113.1 | N98 I99 | N98-Q102 WeakPolarHBondContact O-CG 3.38Å; N98-Q102 PolarHBondContact O-N 3.1Å; N98-Q102 PolarHBondContact OD1-NE2 2.9Å; I99-Q102 CarbonylContact O-C 3.52Å; I99-Q102 PolarHBondContact O-N 2.87Å |
| 103 | G | 54.8 | Low | 62.7 | Low | 42 Ų | 42 | 127 Ų | 127 | 43% | 0.433 | 68% | 0.683 | S | S | . | * | | | trans | -52.2 | 154.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V100 Q101 G105 | V100-G103 PolarHBondContact O-N 3.41Å; Q101-G103 PolarHBondContact O-N 3.36Å; Q101-G103 VanDerWaalsContact O-N 3.09Å; G103-G105 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.18Å |
| 104 | P | 54.3 | Low | 59.8 | Low | 148 Ų | 148 | 127 Ų | 127 | 96% | 0.961 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -70.3 | 73.8 | -149.6 | 27.3 | -37.5 | 0 | 0 | 0 | 116.1 | | |
| 105 | G | 54.4 | Low | 57.2 | Low | 61 Ų | 61 | 129 Ų | 129 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | -93.7 | 133.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G103 | G103-G105 VanDerWaalsContact C-N 3.34Å; G103-G105 PolarHBondContact O-N 3.18Å |
| 106 | N | 50.8 | Low | 54.6 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | | | trans | 60.2 | 60.8 | 167.8 | -73.4 | -60.7 | 0 | 0 | 0 | 118.1 | | |
| 107 | R | 50.4 | Low | 52.1 | Low | 256 Ų | 256 | 134.2 Ų | 134.2 | 97% | 0.966 | 74% | 0.743 | S | S | * | * | | | trans | -91.5 | 85.7 | 140 | -73.1 | -168.5 | 179.9 | -167.7 | 1 | 109.7 | S109 | R107-S109 PolarHBondContact O-N 3.34Š|
| 108 | K | 43.6 | Very low | 49.4 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | | | trans | -67 | 114.8 | 174.7 | -76.6 | -175.2 | 175.4 | 179.5 | 0 | 110.3 | K110 | K108-K110 PolarHBondContact O-N 3.4Š|
| 109 | S | 42.1 | Very low | 47.3 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -70.8 | 112.5 | 173.3 | 42.3 | 0 | 0 | 0 | 0 | 110.9 | R107 G111 | R107-S109 PolarHBondContact O-N 3.34Å; S109-G111 PolarHBondContact O-N 2.74Å |
| 110 | K | 37.9 | Very low | 45.3 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -98.7 | 64.5 | -176.8 | -162.2 | -176.2 | 176.1 | -177.1 | 0 | 113.3 | K108 | K108-K110 PolarHBondContact O-N 3.4Š|
| 111 | G | 38.8 | Very low | 43.1 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 66.7 | 141.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | S109 | S109-G111 PolarHBondContact O-N 2.74Š|
| 112 | S | 31.5 | Very low | 41.2 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -134.1 | 152.2 | 141.4 | -171 | 0 | 0 | 0 | 0 | 108.1 | | |
| 113 | R | 44.2 | Very low | 39.5 | Very low | 253 Ų | 253 | 143.4 Ų | 143.4 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | | | trans | -107.2 | 148.3 | -173.5 | -77.3 | 178.4 | 167.1 | 174 | -5.8 | 111.4 | | |
| 114 | G | 31.6 | Very low | 38.3 | Very low | 74 Ų | 74 | 152.9 Ų | 152.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | | | trans | -155.7 | 106.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 115 | S | 33.1 | Very low | 37 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 57 | 115.1 | 151.2 | -143.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 116 | N | 32 | Very low | 35.9 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 72% | 0.717 | 81% | 0.814 | S | S | * | * | | | trans | 36.2 | 108 | 133.1 | -72.4 | -29.3 | 0 | 0 | 0 | 121.7 | | |
| 117 | Q | 33.4 | Very low | 34.7 | Very low | 192 Ų | 192 | 153.4 Ų | 153.4 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | | | | -178.5 | 141.3 | 96.1 | -99.1 | 150.5 | 114.9 | 0 | 0 | 114 | | |
| 118 | Q | 29.4 | Very low | 33.8 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -98.1 | 164.1 | 147.3 | -88.9 | -178.7 | -59.6 | 0 | 0 | 107.2 | | |
| 119 | P | 38.3 | Very low | 33.1 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | cis | -141.7 | -151.9 | 32.8 | 41.3 | -19.4 | 0 | 0 | 0 | 113.2 | | |
| 120 | P | 41.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | | | | -114.4 | -176.6 | -54.1 | 27.1 | -8.3 | 0 | 0 | 0 | 112.1 | | |
| 121 | D | 30.2 | Very low | 32 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -64.9 | 148.8 | -178.7 | -50.7 | -100.5 | 0 | 0 | 0 | 115.8 | | |
| 122 | Y | 29.4 | Very low | 31.6 | Very low | 225 Ų | 225 | 148.7 Ų | 148.7 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | | | trans | -165.4 | 123.8 | 133 | -107.7 | -66.7 | 0 | 0 | 0 | 113.7 | | |
| 123 | S | 28.4 | Very low | 31.7 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 24.1 | 122.6 | 150.6 | -59 | 0 | 0 | 0 | 0 | 122.6 | | |
| 124 | R | 28.8 | Very low | 31.3 | Very low | 240 Ų | 240 | 140.6 Ų | 140.6 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | | 144.9 | 113.8 | 101 | -173.8 | 169.6 | -177.5 | 144.1 | 0.9 | 116.6 | | |
| 125 | A | 28.1 | Very low | 31.3 | Very low | 74 Ų | 74 | 143.1 Ų | 143.1 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | | | trans | 61.1 | 143.3 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 126 | N | 29.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | | | trans | 66.8 | 137.4 | 172.2 | -49.2 | -13 | 0 | 0 | 0 | 113.4 | | |
| 127 | D | 26.8 | Very low | 30.9 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | cis | -158.5 | 171.4 | 28.3 | -126.3 | -38.7 | 0 | 0 | 0 | 114 | | |
| 128 | I | 31.1 | Very low | 30.9 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | | | trans | 58 | 121.9 | 151.4 | -64 | 161.4 | 0 | 0 | 0 | 121.4 | | |
| 129 | F | 28.6 | Very low | 30.8 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -15.7 | 130.9 | 153.7 | -79.8 | -111 | 0 | 0 | 0 | 118.9 | | |
| 130 | S | 29.5 | Very low | 31 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | -178.9 | 162 | 116.7 | -85.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 131 | S | 28.6 | Very low | 30.6 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | 64.4 | 76.9 | 157.9 | -173.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 132 | L | 30.4 | Very low | 30.7 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | | | trans | -123.6 | 115.7 | 138.3 | -87.1 | 169.8 | 0 | 0 | 0 | 109.8 | | |
| 133 | A | 32.8 | Very low | 30.7 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -109.3 | 133.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 134 | P | 36.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -105.7 | 130.1 | 158.5 | -4.5 | 24.9 | 0 | 0 | 0 | 111.6 | | |
| 135 | T | 30.5 | Very low | 31.4 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -36.5 | 145.3 | 156.7 | 47.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 136 | F | 28.5 | Very low | 31.5 | Very low | 211 Ų | 211 | 146.4 Ų | 146.4 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -140.1 | 151.6 | 142.1 | -105 | -77.4 | 0 | 0 | 0 | 111.4 | | |
| 137 | Q | 28.9 | Very low | 32 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -94.6 | 156.6 | -173.1 | -64.5 | 169.2 | -38 | 0 | 0 | 111.8 | | |
| 138 | P | 33.6 | Very low | 32.1 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -77.1 | 129.2 | 165.8 | 31.9 | -31.9 | 0 | 0 | 0 | 110.7 | | |
| 139 | L | 27.8 | Very low | 32.4 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | -115.3 | 132.6 | 167.1 | -169.8 | 74.4 | 0 | 0 | 0 | 108.4 | | |
| 140 | P | 42.3 | Very low | 32.3 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -78.1 | 141.9 | -177.4 | 31.7 | -34.7 | 0 | 0 | 0 | 111.6 | | |
| 141 | T | 31.9 | Very low | 32.5 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | trans | -119.1 | 105.4 | 172.9 | 51 | 0 | 0 | 0 | 0 | 110.8 | | |
| 142 | L | 33.3 | Very low | 32.9 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | -67.2 | 134.4 | 153.3 | -87.8 | 74.9 | 0 | 0 | 0 | 108.7 | | |
| 143 | F | 28.2 | Very low | 33.2 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -137.2 | 152.2 | 148.7 | -98.4 | -89.1 | 0 | 0 | 0 | 108.6 | | |
| 144 | P | 38.2 | Very low | 33.4 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | trans | -91.1 | 158.6 | -158 | 35.6 | -34.9 | 0 | 0 | 0 | 114 | I146 | P144-I146 PolarHBondContact O-N 3.43Š|
| 145 | M | 34.3 | Very low | 33.3 | Very low | 189 Ų | 189 | 144.8 Ų | 144.8 | 93% | 0.931 | 79% | 0.792 | S | S | * | * | | | trans | -71.7 | 118.4 | 163.8 | -78 | -73.5 | -172.6 | 0 | 0 | 110.6 | | |
| 146 | I | 30 | Very low | 33.5 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 128.9 | 155.9 | -65 | -176 | 0 | 0 | 0 | 106.8 | P144 | P144-I146 PolarHBondContact O-N 3.43Š|
| 147 | P | 40.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -90.1 | 144.9 | -166.2 | 34.4 | -35.6 | 0 | 0 | 0 | 113.4 | | |
| 148 | L | 29.3 | Very low | 33.5 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -138 | 144.5 | 157.8 | -83.7 | 175.4 | 0 | 0 | 0 | 110.1 | | |
| 149 | P | 35.8 | Very low | 33.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -83.6 | 123.4 | -170.6 | 32 | -33.6 | 0 | 0 | 0 | 112.2 | | |
| 150 | F | 27.8 | Very low | 33.7 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -112.8 | 102.9 | 158.9 | -103 | -88.2 | 0 | 0 | 0 | 109.8 | | |
| 151 | Q | 32.1 | Very low | 33.1 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.9 | -180 | -173.1 | 175.6 | -1.2 | 0 | 0 | 109.2 | M927 | Q151-M927 HydrophobicContact CG-SD 4.5Å; Q151-M927 PolarHBondContact NE2-SD 3.2Å |
| 152 | P | 38.3 | Very low | 33.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 146 | 177.2 | 28.7 | -34 | 0 | 0 | 0 | 110.4 | T154 | P152-T154 PolarHBondContact O-N 3.12Š|
| 153 | P | 36.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 133.4 | 174.7 | 27.5 | -33.8 | 0 | 0 | 0 | 110.1 | | |
| 154 | T | 36 | Very low | 33.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.2 | 178.6 | 47 | 0 | 0 | 0 | 0 | 111 | P152 | P152-T154 PolarHBondContact O-N 3.12Š|
| 155 | P | 35.9 | Very low | 32.9 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.1 | 171.3 | 29.1 | -34 | 0 | 0 | 0 | 110 | C157 | P155-C157 PolarHBondContact O-N 3.43Š|
| 156 | P | 33.9 | Very low | 32.8 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.2 | 171.1 | 28 | -33.5 | 0 | 0 | 0 | 109.7 | L158 | P156-L158 PolarHBondContact O-N 2.89Å; P156-L158 VanDerWaalsContact O-N 3.13Å |
| 157 | C | 26.8 | Very low | 32.8 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -63.7 | 114 | 179.9 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | P155 E159 | P155-C157 PolarHBondContact O-N 3.43Å; C157-E159 VanDerWaalsContact C-N 3.28Å; C157-E159 PolarHBondContact O-N 2.9Å |
| 158 | L | 29.9 | Very low | 32.3 | Very low | 159 Ų | 159 | 145 Ų | 145 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -87.3 | 71 | -179.4 | -140.5 | 174.3 | 0 | 0 | 0 | 110 | P156 S160 | P156-L158 PolarHBondContact O-N 2.89Å; P156-L158 VanDerWaalsContact O-N 3.13Å; L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.36Å |
| 159 | E | 35.6 | Very low | 32.5 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 73 | 179.9 | -169.5 | 179.4 | -172.1 | 0 | 0 | 111.7 | C157 | C157-E159 VanDerWaalsContact C-N 3.28Å; C157-E159 PolarHBondContact O-N 2.9Å |
| 160 | S | 30.6 | Very low | 32 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -175.9 | 95.1 | 157.4 | -86.7 | 0 | 0 | 0 | 0 | 112.9 | L158 | L158-S160 VanDerWaalsContact C-N 3.26Å; L158-S160 PolarHBondContact O-N 3.36Å |
| 161 | C | 30.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 139 Ų | 139 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | | | | -179.5 | 91.6 | 118.6 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 162 | S | 31.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -137.4 | 47.6 | 169 | -72.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 163 | R | 32.6 | Very low | 31.8 | Very low | 234 Ų | 234 | 144.4 Ų | 144.4 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -145 | 43.9 | -177.3 | -155.8 | -178.1 | -71 | -169.1 | -0.6 | 113.6 | | |
| 164 | C | 29.7 | Very low | 31.5 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -132.6 | 14.1 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 165 | T | 33.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 149 Ų | 149 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -127 | 4 | -175.7 | 48.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 166 | S | 32.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -129.2 | 72.3 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 112 | | |
| 167 | N | 29.1 | Very low | 30.8 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -171.7 | 110.2 | 146.9 | -98.4 | -15.7 | 0 | 0 | 0 | 109.2 | | |
| 168 | R | 31.4 | Very low | 31 | Very low | 257 Ų | 257 | 151.9 Ų | 151.9 | 97% | 0.97 | 80% | 0.8 | S | S | * | * | | | trans | -146.8 | 70 | 169 | -162.1 | 178.2 | -172.9 | -179.4 | 1.5 | 111.8 | | |
| 169 | A | 31.8 | Very low | 31 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -134.6 | 153.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 170 | S | 27.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 58.7 | 88 | 174.9 | -60.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 171 | N | 34.3 | Very low | 30.8 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | | 37.8 | 85.6 | 120.1 | -53.4 | -13.7 | 0 | 0 | 0 | 119.5 | | |
| 172 | H | 25.9 | Very low | 30.7 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | | -153.6 | 159.7 | 127.4 | -153.4 | -96.2 | 0 | 0 | 0 | 111.6 | | |
| 173 | F | 33.8 | Very low | 30.7 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.772 | 75% | 0.752 | S | S | * | * | | | trans | -90.8 | 115.4 | 172.5 | -123.1 | -100 | 0 | 0 | 0 | 109.7 | | |
| 174 | E | 28.7 | Very low | 30.6 | Very low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | | | trans | -177.2 | 132.9 | 138.1 | -105.2 | -176.8 | 145.3 | 0 | 0 | 109.5 | | |
| 175 | I | 29.4 | Very low | 30.6 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | | | trans | -125.9 | 113.2 | 168.9 | -63.4 | 177.7 | 0 | 0 | 0 | 106.1 | | |
| 176 | S | 27.3 | Very low | 30.9 | Very low | 82 Ų | 82 | 136.4 Ų | 136.4 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | | | trans | -72 | 162.7 | -173.2 | -158.5 | 0 | 0 | 0 | 0 | 112.6 | E178 | S176-E178 VanDerWaalsContact CB-OE2 3.31Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.82Å; S176-E178 PolarHBondContact OG-OE2 3.21Å |
| 177 | R | 34.5 | Very low | 31.4 | Very low | 228 Ų | 228 | 135.9 Ų | 135.9 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -2 | -168.9 | -146.8 | 171 | -175.2 | 173.8 | 1.9 | 113.8 | | |
| 178 | E | 30.4 | Very low | 31.8 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 51% | 0.514 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | -42 | -175 | -76.1 | 56.7 | -120.9 | 0 | 0 | 113.4 | S176 F180 R181 | S176-E178 VanDerWaalsContact CB-OE2 3.31Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.82Å; S176-E178 PolarHBondContact OG-OE2 3.21Å; E178-F180 VanDerWaalsContact C-N 3.29Å; E178-F180 PolarHBondContact O-N 3.48Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.02Å |
| 179 | D | 30.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 60% | 0.599 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -37 | -167.8 | -70.6 | -36.5 | 0 | 0 | 0 | 113.2 | R181 C182 | D179-R181 PolarHBondContact O-N 2.87Å; D179-C182 WeakPolarHBondContact O-CB 3.14Å; D179-C182 PolarHBondContact O-N 2.85Å |
| 180 | F | 30.5 | Very low | 32.8 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 61% | 0.614 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.4 | -16.4 | 175.7 | -104.4 | -81.7 | 0 | 0 | 0 | 114 | E178 N184 | E178-F180 VanDerWaalsContact C-N 3.29Å; E178-F180 PolarHBondContact O-N 3.48Å; F180-N184 PolarHBondContact O-ND2 3.31Å |
| 181 | R | 31.4 | Very low | 33.6 | Very low | 191 Ų | 191 | 128 Ų | 128 | 72% | 0.721 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -82.3 | -21.5 | 176.9 | -155.7 | -179 | -60.1 | -119.5 | 5.5 | 112.5 | E178 D179 | E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.02Å; D179-R181 PolarHBondContact O-N 2.87Å |
| 182 | C | 28.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.8 | -51.6 | -175.9 | -153.1 | 0 | 0 | 0 | 0 | 111.8 | D179 N184 S185 I186 | D179-C182 WeakPolarHBondContact O-CB 3.14Å; D179-C182 PolarHBondContact O-N 2.85Å; C182-N184 PolarHBondContact O-N 3.24Å; C182-S185 WeakPolarHBondContact O-CB 3.14Å; C182-S185 PolarHBondContact O-N 3.47Å; C182-I186 PolarHBondContact O-N 2.79Å |
| 183 | C | 31.1 | Very low | 35 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 54% | 0.541 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -54.8 | -50.2 | -179.5 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | S185 I186 D187 | C183-S185 PolarHBondContact O-N 2.9Å; C183-I186 WeakPolarHBondContact O-CB 3.39Å; C183-I186 PolarHBondContact O-N 2.74Å; C183-D187 PolarHBondContact O-N 3.29Å |
| 184 | N | 30.6 | Very low | 35.7 | Very low | 92 Ų | 92 | 122.5 Ų | 122.5 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.9 | -18.4 | 179.9 | -68.7 | -83.8 | 0 | 0 | 0 | 114 | F180 C182 | F180-N184 PolarHBondContact O-ND2 3.31Å; C182-N184 PolarHBondContact O-N 3.24Å |
| 185 | S | 30.9 | Very low | 36.6 | Very low | 54 Ų | 54 | 118.1 Ų | 118.1 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -82.4 | -23.8 | 173.9 | -164.9 | 0 | 0 | 0 | 0 | 112.8 | C182 C183 K189 | C182-S185 WeakPolarHBondContact O-CB 3.14Å; C182-S185 PolarHBondContact O-N 3.47Å; C183-S185 PolarHBondContact O-N 2.9Å; S185-K189 WeakPolarHBondContact O-CD 3.46Å; S185-K189 VanDerWaalsContact O-CG 3.29Å; S185-K189 WeakPolarHBondContact O-CG 3.41Å; S185-K189 PolarHBondContact OG-NZ 2.97Å |
| 186 | I | 38.9 | Very low | 37.6 | Very low | 96 Ų | 96 | 116 Ų | 116 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -76 | -49.3 | -179.6 | -62.3 | 169.8 | 0 | 0 | 0 | 109.5 | C182 C183 H188 K189 V190 | C182-I186 PolarHBondContact O-N 2.79Å; C183-I186 WeakPolarHBondContact O-CB 3.39Å; C183-I186 PolarHBondContact O-N 2.74Å; I186-H188 VanDerWaalsContact C-N 3.33Å; I186-H188 PolarHBondContact O-N 2.95Å; I186-K189 WeakPolarHBondContact O-CA 3.46Å; I186-K189 WeakPolarHBondContact O-CB 3.35Å; I186-K189 PolarHBondContact O-N 2.96Å; I186-V190 HydrophobicContact CG2-CG2 4.13Å; I186-V190 WeakPolarHBondContact O-CG2 3.39Å; I186-V190 PolarHBondContact O-N 3.43Å |
| 187 | D | 43.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.6 | -43.8 | -178.4 | -62 | -50.4 | 0 | 0 | 0 | 112.8 | C183 K189 V190 L191 | C183-D187 PolarHBondContact O-N 3.29Å; D187-K189 VanDerWaalsContact C-N 3.29Å; D187-K189 PolarHBondContact O-N 3.46Å; D187-V190 PolarHBondContact O-N 3.01Å; D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 2.91Å |
| 188 | H | 37.1 | Very low | 39.3 | Very low | 136 Ų | 136 | 108.1 Ų | 108.1 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.7 | -24.2 | 177.4 | -166 | -54.8 | 0 | 0 | 0 | 112.7 | I186 K192 | I186-H188 VanDerWaalsContact C-N 3.33Å; I186-H188 PolarHBondContact O-N 2.95Å; H188-K192 VanDerWaalsContact O-CB 3.26Å; H188-K192 WeakPolarHBondContact O-CB 3.46Å; H188-K192 PolarHBondContact O-N 3.3Å |
| 189 | K | 37.9 | Very low | 40.3 | Very low | 135 Ų | 135 | 107 Ų | 107 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.8 | -43.2 | 172.9 | -73.1 | 168.8 | -174.7 | 166.3 | 0 | 111 | S185 I186 D187 K192 F193 | S185-K189 WeakPolarHBondContact O-CD 3.46Å; S185-K189 VanDerWaalsContact O-CG 3.29Å; S185-K189 WeakPolarHBondContact O-CG 3.41Å; S185-K189 PolarHBondContact OG-NZ 2.97Å; I186-K189 WeakPolarHBondContact O-CA 3.46Å; I186-K189 WeakPolarHBondContact O-CB 3.35Å; I186-K189 PolarHBondContact O-N 2.96Å; D187-K189 VanDerWaalsContact C-N 3.29Å; D187-K189 PolarHBondContact O-N 3.46Å; K189-K192 PolarHBondContact O-N 3Å; K189-F193 PolarHBondContact O-N 3.35Å |
| 190 | V | 47.2 | Very low | 41.1 | Very low | 81 Ų | 81 | 107.7 Ų | 107.7 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I186 D187 K192 F193 E194 | I186-V190 HydrophobicContact CG2-CG2 4.13Å; I186-V190 WeakPolarHBondContact O-CG2 3.39Å; I186-V190 PolarHBondContact O-N 3.43Å; D187-V190 PolarHBondContact O-N 3.01Å; V190-K192 PolarHBondContact O-N 2.96Å; V190-F193 WeakPolarHBondContact O-CB 3.42Å; V190-F193 PolarHBondContact O-N 3.43Å; V190-E194 PolarHBondContact O-N 3.31Å |
| 191 | L | 43.8 | Very low | 41.6 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 55% | 0.55 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58 | -33.2 | 175.8 | -84.1 | 164.5 | 0 | 0 | 0 | 113.2 | D187 L195 | D187-L191 WeakPolarHBondContact O-CB 3.35Å; D187-L191 PolarHBondContact O-N 2.91Å; L191-L195 WeakPolarHBondContact O-CD1 3.17Å; L191-L195 PolarHBondContact O-N 3.14Å |
| 192 | K | 44.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -76.2 | -32 | 176.8 | -164.9 | 172.5 | -174.9 | -179.1 | 0 | 112.2 | H188 K189 V190 L196 | H188-K192 VanDerWaalsContact O-CB 3.26Å; H188-K192 WeakPolarHBondContact O-CB 3.46Å; H188-K192 PolarHBondContact O-N 3.3Å; K189-K192 PolarHBondContact O-N 3Å; V190-K192 PolarHBondContact O-N 2.96Å; K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 WeakPolarHBondContact O-CD1 3.4Å; K192-L196 PolarHBondContact O-N 2.9Å; K192-L196 VanDerWaalsContact O-N 3.15Å |
| 193 | F | 45.3 | Very low | 43.1 | Very low | 169 Ų | 169 | 106.8 Ų | 106.8 | 74% | 0.741 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 172 | -122.2 | -92.4 | 0 | 0 | 0 | 111.5 | K189 V190 L196 S197 | K189-F193 PolarHBondContact O-N 3.35Å; V190-F193 WeakPolarHBondContact O-CB 3.42Å; V190-F193 PolarHBondContact O-N 3.43Å; F193-L196 PolarHBondContact O-N 3.46Å; F193-S197 PolarHBondContact O-N 2.9Å |
| 194 | E | 47.9 | Very low | 43.8 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 50% | 0.495 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 173.3 | -80.7 | -60.6 | 138.5 | 0 | 0 | 112.4 | V190 L196 S197 I198 | V190-E194 PolarHBondContact O-N 3.31Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.06Å; E194-S197 PolarHBondContact O-N 3.03Å; E194-S197 PolarHBondContact O-OG 3.37Å; E194-I198 WeakPolarHBondContact O-CB 3.35Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.37Å; E194-I198 PolarHBondContact O-N 3.1Å |
| 195 | L | 47.7 | Very low | 44.4 | Very low | 95 Ų | 95 | 109.7 Ų | 109.7 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -33.2 | 176.2 | -100.3 | 84 | 0 | 0 | 0 | 112.8 | L191 T199 | L191-L195 WeakPolarHBondContact O-CD1 3.17Å; L191-L195 PolarHBondContact O-N 3.14Å; L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.45Å; L195-T199 PolarHBondContact O-N 2.94Å; L195-T199 VanDerWaalsContact O-N 3.1Å; L195-T199 PolarHBondContact O-OG1 3.01Å |
| 196 | L | 50.7 | Low | 44.8 | Very low | 113 Ų | 113 | 109.4 Ų | 109.4 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.8 | -40.2 | 173.1 | -97.3 | 94.5 | 0 | 0 | 0 | 112.3 | K192 F193 E194 T199 H200 | K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 WeakPolarHBondContact O-CD1 3.4Å; K192-L196 PolarHBondContact O-N 2.9Å; K192-L196 VanDerWaalsContact O-N 3.15Å; F193-L196 PolarHBondContact O-N 3.46Å; E194-L196 VanDerWaalsContact C-N 3.27Å; E194-L196 PolarHBondContact O-N 3.06Å; L196-T199 PolarHBondContact O-N 3.27Å; L196-H200 VanDerWaalsContact O-CB 3.31Å; L196-H200 WeakPolarHBondContact O-CB 3.33Å; L196-H200 PolarHBondContact O-N 3.36Å |
| 197 | S | 46.7 | Very low | 44.9 | Very low | 55 Ų | 55 | 109.1 Ų | 109.1 | 39% | 0.385 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.3 | -47 | 178.6 | 76.4 | 0 | 0 | 0 | 0 | 111 | F193 E194 T199 H200 Y201 | F193-S197 PolarHBondContact O-N 2.9Å; E194-S197 PolarHBondContact O-N 3.03Å; E194-S197 PolarHBondContact O-OG 3.37Å; S197-T199 PolarHBondContact O-N 3.2Å; S197-H200 PolarHBondContact O-N 3.01Å; S197-Y201 WeakPolarHBondContact O-CB 3.39Å; S197-Y201 PolarHBondContact O-N 2.65Å |
| 198 | I | 51.3 | Low | 44.7 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 45% | 0.451 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.3 | -42.7 | 177.5 | -66.2 | 166.1 | 0 | 0 | 0 | 110.7 | E194 Y201 L202 | E194-I198 WeakPolarHBondContact O-CB 3.35Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.37Å; E194-I198 PolarHBondContact O-N 3.1Å; I198-Y201 PolarHBondContact O-N 2.88Å; I198-L202 HydrophobicContact CG2-CD1 4.13Å; I198-L202 WeakPolarHBondContact O-CG 3.41Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.07Å |
| 199 | T | 52.1 | Low | 44.9 | Very low | 88 Ų | 88 | 116.8 Ų | 116.8 | 54% | 0.54 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 177.7 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | L195 L196 S197 L202 Q203 | L195-T199 VanDerWaalsContact O-CB 3.22Å; L195-T199 WeakPolarHBondContact O-CB 3.45Å; L195-T199 PolarHBondContact O-N 2.94Å; L195-T199 VanDerWaalsContact O-N 3.1Å; L195-T199 PolarHBondContact O-OG1 3.01Å; L196-T199 PolarHBondContact O-N 3.27Å; S197-T199 PolarHBondContact O-N 3.2Å; T199-L202 PolarHBondContact O-N 3.17Å; T199-Q203 WeakPolarHBondContact O-CB 3.31Å; T199-Q203 PolarHBondContact O-N 3.4Å |
| 200 | H | 46.4 | Very low | 45.4 | Very low | 126 Ų | 126 | 120.6 Ų | 120.6 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.1 | -36.5 | 178.7 | -160.5 | -105.4 | 0 | 0 | 0 | 112.1 | L196 S197 Q203 L204 | L196-H200 VanDerWaalsContact O-CB 3.31Å; L196-H200 WeakPolarHBondContact O-CB 3.33Å; L196-H200 PolarHBondContact O-N 3.36Å; S197-H200 PolarHBondContact O-N 3.01Å; H200-Q203 PolarHBondContact O-N 3.21Å; H200-L204 WeakPolarHBondContact O-CG 3.28Å; H200-L204 PolarHBondContact O-N 3.11Å; H200-L204 VanDerWaalsContact O-N 3.16Å |
| 201 | Y | 40.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 62% | 0.616 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.6 | -46.5 | 174.3 | -175.2 | -102.8 | 0 | 0 | 0 | 112.1 | S197 I198 Q203 L204 Q205 | S197-Y201 WeakPolarHBondContact O-CB 3.39Å; S197-Y201 PolarHBondContact O-N 2.65Å; I198-Y201 PolarHBondContact O-N 2.88Å; Y201-Q203 PolarHBondContact O-N 2.9Å; Y201-L204 PolarHBondContact O-N 3.37Å; Y201-Q205 PolarHBondContact O-N 3.33Å |
| 202 | L | 50.5 | Low | 44.8 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 46% | 0.455 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.7 | -38.2 | 176.7 | -70.3 | 168.7 | 0 | 0 | 0 | 112.5 | I198 T199 L204 Q205 G206 | I198-L202 HydrophobicContact CG2-CD1 4.13Å; I198-L202 WeakPolarHBondContact O-CG 3.41Å; I198-L202 PolarHBondContact O-N 2.9Å; I198-L202 VanDerWaalsContact O-N 3.07Å; T199-L202 PolarHBondContact O-N 3.17Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.39Å; L202-Q205 PolarHBondContact O-N 2.93Å; L202-G206 PolarHBondContact O-N 3.26Å; L202-G206 VanDerWaalsContact O-N 3.13Å |
| 203 | Q | 41.5 | Very low | 44.2 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -60.3 | -40.3 | 175.7 | -167.7 | 75.4 | -9.4 | 0 | 0 | 112 | T199 H200 Y201 | T199-Q203 WeakPolarHBondContact O-CB 3.31Å; T199-Q203 PolarHBondContact O-N 3.4Å; H200-Q203 PolarHBondContact O-N 3.21Å; Y201-Q203 PolarHBondContact O-N 2.9Å |
| 204 | L | 45.8 | Very low | 43.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 57% | 0.565 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.7 | -45.1 | 176.8 | -74 | 165.1 | 0 | 0 | 0 | 112.1 | H200 Y201 L202 G206 S207 | H200-L204 WeakPolarHBondContact O-CG 3.28Å; H200-L204 PolarHBondContact O-N 3.11Å; H200-L204 VanDerWaalsContact O-N 3.16Å; Y201-L204 PolarHBondContact O-N 3.37Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.39Å; L204-G206 VanDerWaalsContact C-N 3.26Å; L204-G206 PolarHBondContact O-N 3Å; L204-S207 WeakPolarHBondContact O-CB 3.45Å; L204-S207 PolarHBondContact O-N 3Å; L204-S207 VanDerWaalsContact O-N 3.11Å |
| 205 | Q | 41.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 59% | 0.589 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.6 | -31.4 | -178.4 | -156.6 | -175.2 | 37.6 | 0 | 0 | 112.7 | Y201 L202 S207 | Y201-Q205 PolarHBondContact O-N 3.33Å; L202-Q205 PolarHBondContact O-N 2.93Å; Q205-S207 VanDerWaalsContact C-N 3.35Å |
| 206 | G | 40.5 | Very low | 41.6 | Very low | 47 Ų | 47 | 133.8 Ų | 133.8 | 49% | 0.485 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -72.5 | -20.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L202 L204 | L202-G206 PolarHBondContact O-N 3.26Å; L202-G206 VanDerWaalsContact O-N 3.13Å; L204-G206 VanDerWaalsContact C-N 3.26Å; L204-G206 PolarHBondContact O-N 3Å |
| 207 | S | 40.9 | Very low | 40.6 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -80.1 | -35.7 | -173.8 | -164.3 | 0 | 0 | 0 | 0 | 113.1 | L204 Q205 R209 | L204-S207 WeakPolarHBondContact O-CB 3.45Å; L204-S207 PolarHBondContact O-N 3Å; L204-S207 VanDerWaalsContact O-N 3.11Å; Q205-S207 VanDerWaalsContact C-N 3.35Å; S207-R209 PolarHBondContact O-N 3.23Å; S207-R209 VanDerWaalsContact O-N 3.12Å |
| 208 | L | 38.2 | Very low | 39.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -9.2 | -168 | -149.1 | 72.5 | 0 | 0 | 0 | 115.1 | | |
| 209 | R | 42.1 | Very low | 38.7 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 12.2 | -172.9 | -81.3 | -173.6 | 172.1 | -95 | 1.2 | 116 | S207 | S207-R209 PolarHBondContact O-N 3.23Å; S207-R209 VanDerWaalsContact O-N 3.12Å |
| 210 | R | 49.3 | Very low | 37.7 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -142.4 | 60.4 | 178.4 | -65.9 | -163.6 | -55.2 | -78.5 | -3.8 | 115.7 | | |
| 211 | K | 40.4 | Very low | 36.9 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | trans | -162 | 77.8 | 152.3 | -159.8 | 165.9 | 64.9 | 175.5 | 0 | 114.9 | | |
| 212 | M | 37.3 | Very low | 36.3 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | | | trans | -159.4 | 66.3 | 158.2 | 47.9 | -161.5 | -64.4 | 0 | 0 | 113.1 | | |
| 213 | E | 30.4 | Very low | 35.3 | Very low | 204 Ų | 204 | 145.5 Ų | 145.5 | 95% | 0.953 | 78% | 0.78 | S | S | * | * | | | trans | -156.6 | 135.8 | 151 | -118.9 | 178.7 | 168 | 0 | 0 | 107.4 | | |
| 214 | G | 30.3 | Very low | 34.8 | Very low | 72 Ų | 72 | 146.7 Ų | 146.7 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 145.8 | 111.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 215 | N | 30 | Very low | 33.9 | Very low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | -60.1 | 153.6 | -174 | -58.8 | -9.7 | 0 | 0 | 0 | 114.3 | | |
| 216 | T | 28 | Very low | 33.2 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -125 | 118.4 | 151.4 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 217 | T | 29.7 | Very low | 32.6 | Very low | 140 Ų | 140 | 147 Ų | 147 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | | | trans | -89.7 | 130 | 169.3 | 37.2 | 0 | 0 | 0 | 0 | 109 | | |
| 218 | G | 26.6 | Very low | 31.9 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | | | trans | -72.1 | 174.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 219 | L | 30.9 | Very low | 31.5 | Very low | 166 Ų | 166 | 149.7 Ų | 149.7 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | | | trans | -157.7 | 167.9 | 146.4 | -106.6 | 164.1 | 0 | 0 | 0 | 110.3 | | |
| 220 | K | 29.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | trans | -54.9 | 164 | -169.7 | -58.9 | 176.3 | -179.8 | -179.7 | 0 | 113.6 | | |
| 221 | Q | 31.3 | Very low | 30.1 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | cis | -156.2 | 146.7 | 44.3 | -59.9 | 177.2 | 20.5 | 0 | 0 | 116 | | |
| 222 | N | 28.4 | Very low | 29.5 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | 44.3 | 126.9 | 140.6 | -52.8 | -8.8 | 0 | 0 | 0 | 122.4 | | |
| 223 | G | 28.3 | Very low | 29.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | | | trans | 141.9 | 78.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 224 | L | 31 | Very low | 29.2 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | 29.7 | 142 | 143.3 | -52.4 | 177.6 | 0 | 0 | 0 | 121.1 | | |
| 225 | S | 27.8 | Very low | 29 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | cis | -174.2 | 158.2 | -9.8 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 226 | C | 26.7 | Very low | 29 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 86% | 0.858 | 77% | 0.768 | S | S | * | * | | | trans | 40.6 | 147 | 159.9 | 59.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 227 | G | 27.4 | Very low | 28.9 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | cis | -150.6 | 162.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 228 | F | 26.1 | Very low | 29.2 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | | | | 60.6 | 126.7 | 53.7 | -144.3 | -89.2 | 0 | 0 | 0 | 112.7 | | |
| 229 | S | 30.5 | Very low | 29.3 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -167.5 | 172.8 | -17.4 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 230 | G | 29 | Very low | 29.3 | Very low | 56 Ų | 56 | 135.6 Ų | 135.6 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | | | trans | 132.7 | 117.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 231 | S | 32.9 | Very low | 29.2 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | | | cis | 83.7 | 133.5 | 42.7 | 80.6 | 0 | 0 | 0 | 0 | 114 | | |
| 232 | D | 27.2 | Very low | 29.2 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | | | cis | -172.8 | 162.7 | -23.4 | -130.5 | -38.9 | 0 | 0 | 0 | 110.9 | | |
| 233 | F | 29.9 | Very low | 29.5 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | | | trans | 50.2 | 150 | 150.3 | -65.1 | -49 | 0 | 0 | 0 | 124.6 | | |
| 234 | K | 31.5 | Very low | 29.6 | Very low | 162 Ų | 162 | 127 Ų | 127 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | | | trans | 77.8 | 149 | 142.1 | -79.3 | 158.9 | 179.1 | 176.6 | 0 | 119.7 | | |
| 235 | R | 27.2 | Very low | 29.5 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | cis | -168.5 | 141.9 | -27.9 | -122 | -176.5 | -143.2 | 176.9 | 3.9 | 111 | | |
| 236 | V | 29.5 | Very low | 29.5 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | | | trans | 31.6 | 123.8 | 130.9 | 177.3 | 0 | 0 | 0 | 0 | 120.4 | L238 | V236-L238 HydrophobicContact CG1-CD1 3.67Å; V236-L238 HydrophobicContact CG1-CG 3.82Å |
| 237 | R | 25.8 | Very low | 29.4 | Very low | 222 Ų | 222 | 126.9 Ų | 126.9 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -147.4 | 138.9 | 130 | -133.5 | 162.8 | 177.3 | 124.3 | 6.7 | 107.5 | | |
| 238 | L | 34.8 | Very low | 29.3 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | cis | 65.6 | 146.8 | 40.2 | -60.4 | 168.5 | 0 | 0 | 0 | 111.5 | V236 | V236-L238 HydrophobicContact CG1-CD1 3.67Å; V236-L238 HydrophobicContact CG1-CG 3.82Å |
| 239 | D | 30 | Very low | 29.1 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | | | cis | -152 | 169.5 | 9.3 | -89.7 | -49.4 | 0 | 0 | 0 | 108 | | |
| 240 | A | 29.7 | Very low | 29 | Very low | 98 Ų | 98 | 127 Ų | 127 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | cis | -173.6 | 163.4 | -21.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 241 | G | 27.6 | Very low | 28.6 | Very low | 84 Ų | 84 | 130.6 Ų | 130.6 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | 144.1 | 133.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 242 | G | 31.8 | Very low | 28.5 | Very low | 70 Ų | 70 | 132.4 Ų | 132.4 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | cis | 120.1 | 144 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 243 | L | 34.8 | Very low | 28.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 96% | 0.963 | 76% | 0.758 | S | S | * | * | | | cis | -152 | 172.2 | 6.4 | -64.7 | 168.5 | 0 | 0 | 0 | 107.6 | | |
| 244 | G | 30.4 | Very low | 28.9 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | | | cis | 164.3 | 174.2 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 245 | H | 30 | Very low | 28.8 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 93% | 0.931 | 76% | 0.762 | S | S | * | * | | | trans | 66.2 | 153 | 173.5 | -70.4 | -112.2 | 0 | 0 | 0 | 117.6 | | |
| 246 | G | 26.1 | Very low | 28.9 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | cis | 110.9 | 140.5 | 7.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 247 | S | 26.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | cis | -145.6 | -146.6 | 7.9 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 248 | C | 23.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | trans | -139.3 | 162.2 | -158.2 | 64.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 249 | N | 23.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 94.7 | 147.8 | 136.5 | -156.4 | 16.9 | 0 | 0 | 0 | 121.5 | | |
| 250 | H | 27.2 | Very low | 28.3 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | | | trans | 69.6 | 140.9 | 152 | 64.5 | -111.2 | 0 | 0 | 0 | 125.7 | | |
| 251 | N | 22.1 | Very low | 28.5 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 82.1 | 96.8 | 152.2 | -69.5 | -31.9 | 0 | 0 | 0 | 122.6 | | |
| 252 | L | 29.5 | Very low | 28.5 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | | 49.9 | 100.9 | 100.2 | -172.2 | 84.8 | 0 | 0 | 0 | 118.6 | | |
| 253 | T | 27.2 | Very low | 28.4 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | | -156.6 | 133.9 | 127.1 | 13.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 254 | H | 39 | Very low | 28.3 | Very low | 175 Ų | 175 | 121.2 Ų | 121.2 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | | | trans | -72.3 | 154.6 | 151.2 | -81.7 | -88.3 | 0 | 0 | 0 | 108.1 | | |
| 255 | P | 29.7 | Very low | 28.3 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | | -140.3 | 146.8 | 103.4 | 33.1 | -18.3 | 0 | 0 | 0 | 114.8 | | |
| 256 | L | 28.6 | Very low | 28.3 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | | | trans | 56.8 | 121.1 | 130.7 | -58.6 | 178.3 | 0 | 0 | 0 | 119 | | |
| 257 | Q | 26.9 | Very low | 28.4 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | | | | 95.4 | 146.8 | 78.1 | -170.5 | 178.2 | 22.3 | 0 | 0 | 110.6 | | |
| 258 | G | 25.3 | Very low | 28.5 | Very low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 72% | 0.722 | S | S | * | * | | | cis | -141.8 | -176.4 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 259 | S | 25.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | | | cis | 49.2 | 112.5 | 49.4 | -161.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | S | 30.3 | Very low | 28.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | | | | -169.3 | -177.3 | 53.3 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 261 | T | 33.8 | Very low | 29.2 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | cis | -134.1 | 139 | 16.2 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 262 | A | 26.4 | Very low | 30.4 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | | | cis | 75.8 | 125.3 | 46.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 263 | G | 30.5 | Very low | 30.5 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | | | trans | 155.3 | 39.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 264 | L | 31.2 | Very low | 30.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 71% | 0.712 | 72% | 0.723 | S | S | * | * | | | | 52.7 | 104.8 | 86.2 | -91.8 | 169.1 | 0 | 0 | 0 | 114.3 | | |
| 265 | Q | 31.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 61% | 0.607 | 73% | 0.729 | S | S | * | * | | | | -158.5 | 138.6 | 107.3 | -78.3 | -38.6 | -36.6 | 0 | 0 | 113.8 | | |
| 266 | R | 30.7 | Very low | 30 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | 14.7 | 147.3 | 139.7 | -74.6 | 172.9 | -88.1 | -153 | -3.3 | 119.3 | | |
| 267 | K | 28 | Very low | 30.1 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | | | cis | -166.3 | 172.4 | 16.9 | -117.2 | -176.3 | 167.2 | -175 | 0 | 106.6 | | |
| 268 | N | 27.4 | Very low | 30.5 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | | | cis | -174.9 | 171.3 | -31.2 | -112.4 | 55.9 | 0 | 0 | 0 | 108.5 | | |
| 269 | Y | 26.9 | Very low | 31.3 | Very low | 181 Ų | 181 | 132.1 Ų | 132.1 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | | | trans | 73.8 | 136.3 | 163.9 | -52.3 | -57.3 | 0 | 0 | 0 | 117.1 | | |
| 270 | M | 29.9 | Very low | 31.6 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | cis | -149.1 | 178.4 | -4.4 | -98.6 | -85.7 | 80.1 | 0 | 0 | 111.4 | | |
| 271 | M | 33.5 | Very low | 31.5 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 84% | 0.837 | 75% | 0.748 | S | S | * | * | | | trans | -130.6 | -161.8 | -176.7 | -141.1 | 116.2 | 161 | 0 | 0 | 108.5 | | |
| 272 | P | 46.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | | | cis | -137.7 | -166.6 | -11.8 | 25 | 2.4 | 0 | 0 | 0 | 115.9 | | |
| 273 | H | 32 | Very low | 32 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | | | trans | 82.4 | 155.3 | 167.7 | -53.7 | -79 | 0 | 0 | 0 | 118.4 | | |
| 274 | G | 26.1 | Very low | 32.6 | Very low | 60 Ų | 60 | 144.9 Ų | 144.9 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | | | cis | 141.2 | 152.3 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 275 | I | 32 | Very low | 32.7 | Very low | 179 Ų | 179 | 148 Ų | 148 | 92% | 0.918 | 76% | 0.759 | S | S | * | * | | | trans | 71.2 | 149.4 | 176.9 | -50.8 | 166.4 | 0 | 0 | 0 | 112.5 | | |
| 276 | G | 25.7 | Very low | 32.9 | Very low | 65 Ų | 65 | 149.1 Ų | 149.1 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | cis | 171.6 | -178.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 277 | S | 31.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | trans | -43.6 | 135.7 | -178.8 | 50.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 278 | D | 35.4 | Very low | 33.7 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | | -174.3 | 129.1 | 126.2 | -93.2 | -24.8 | 0 | 0 | 0 | 111.1 | | |
| 279 | M | 41.7 | Very low | 34.1 | Very low | 174 Ų | 174 | 153.3 Ų | 153.3 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -154.2 | 23.9 | 178.4 | -150 | 174.6 | 69.2 | 0 | 0 | 114.7 | | |
| 280 | F | 33.3 | Very low | 34.3 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -138 | 144.2 | 168.8 | -79.3 | -78.6 | 0 | 0 | 0 | 109.4 | | |
| 281 | N | 27.7 | Very low | 34.4 | Very low | 146 Ų | 146 | 152 Ų | 152 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | trans | 67.2 | 140.2 | -163.1 | -115.1 | -10.4 | 0 | 0 | 0 | 111.9 | | |
| 282 | M | 30.9 | Very low | 34.1 | Very low | 150 Ų | 150 | 152.6 Ų | 152.6 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | | | cis | -137 | 134.1 | 30.3 | -89.1 | -73.7 | -79.2 | 0 | 0 | 115.2 | | |
| 283 | T | 38.6 | Very low | 33.7 | Very low | 105 Ų | 105 | 157 Ų | 157 | 64% | 0.644 | 81% | 0.81 | S | S | * | * | | | trans | 49.3 | 123.4 | 151.3 | 16.3 | 0 | 0 | 0 | 0 | 123.1 | K285 | T283-K285 PolarHBondContact O-N 2.84Š|
| 284 | L | 43.3 | Very low | 33.7 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | | | trans | -51.4 | 114 | 140.9 | -76.9 | 154.6 | 0 | 0 | 0 | 112 | | |
| 285 | K | 33.2 | Very low | 33.9 | Very low | 201 Ų | 201 | 162.7 Ų | 162.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -159.2 | 170.7 | 150.5 | -133.1 | 173.7 | -177.6 | 179.2 | 0 | 111.2 | T283 | T283-K285 PolarHBondContact O-N 2.84Š|
| 286 | E | 36.2 | Very low | 33.4 | Very low | 155 Ų | 155 | 159.9 Ų | 159.9 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 75.1 | 83.5 | 167.9 | -152.2 | 113.4 | -137.9 | 0 | 0 | 117.5 | | |
| 287 | M | 34.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 162.9 Ų | 162.9 | 74% | 0.744 | 83% | 0.83 | S | S | * | * | | | trans | 60.6 | 113.4 | 145.5 | -61.2 | -170.2 | -93.5 | 0 | 0 | 119.3 | | |
| 288 | K | 40.6 | Very low | 33.3 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | | | | 61.3 | 75 | 65.9 | -167.3 | -157.3 | 172.9 | -175.6 | 0 | 113 | | |
| 289 | K | 36.2 | Very low | 33 | Very low | 197 Ų | 197 | 162.5 Ų | 162.5 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | | | trans | -150.5 | 130.6 | 153.9 | -157.9 | 168.7 | -175.4 | 179.1 | 0 | 109.3 | | |
| 290 | E | 31.4 | Very low | 32.3 | Very low | 186 Ų | 186 | 159.8 Ų | 159.8 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 139 | 172.7 | -67.1 | -174.7 | 135.3 | 0 | 0 | 110.1 | | |
| 291 | P | 32.2 | Very low | 32 | Very low | 130 Ų | 130 | 158.5 Ų | 158.5 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.5 | 161.3 | -8.4 | 26.7 | 0 | 0 | 0 | 109.6 | | |
| 292 | Q | 27.4 | Very low | 32.2 | Very low | 183 Ų | 183 | 155.7 Ų | 155.7 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 155.3 | 173.3 | -173.4 | 174.6 | -11.1 | 0 | 0 | 110.9 | | |
| 293 | E | 37.1 | Very low | 32.2 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.2 | -175.3 | -55.6 | 168.6 | 120.9 | 0 | 0 | 114 | | |
| 294 | I | 31.9 | Very low | 31.9 | Very low | 170 Ų | 170 | 159.1 Ų | 159.1 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | | | trans | -137.9 | 146 | 155.3 | -60.2 | -175.2 | 0 | 0 | 0 | 108.6 | | |
| 295 | Q | 30.1 | Very low | 31.3 | Very low | 190 Ų | 190 | 156.7 Ų | 156.7 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -79.5 | 157 | -166.4 | -60.5 | 160.3 | -25.9 | 0 | 0 | 114.9 | | |
| 296 | S | 23.3 | Very low | 30.9 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -153.1 | 162.7 | 145.3 | -159.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 297 | C | 25.8 | Very low | 30.4 | Very low | 129 Ų | 129 | 154.4 Ų | 154.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -62.3 | 161.9 | -166.4 | -49.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 298 | G | 27.6 | Very low | 30.3 | Very low | 61 Ų | 61 | 156.8 Ų | 156.8 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | | | cis | 158.3 | 134.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 299 | H | 30.6 | Very low | 30 | Very low | 197 Ų | 197 | 154.8 Ų | 154.8 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | | | trans | 65.5 | 125.6 | 169.7 | -50.6 | 122.7 | 0 | 0 | 0 | 121 | | |
| 300 | S | 27.2 | Very low | 30.2 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -152.3 | 140.8 | 139.2 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 301 | N | 26.7 | Very low | 30.5 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -69.1 | 154.9 | -153.5 | -58 | -52.4 | 0 | 0 | 0 | 116.6 | | |
| 302 | S | 30.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 149.4 Ų | 149.4 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | | | trans | -100.9 | 164.8 | 159.4 | 65.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 303 | E | 31.5 | Very low | 30.9 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | 50.6 | 89 | 150.9 | -65.3 | 148.7 | 136.9 | 0 | 0 | 118.8 | I305 | E303-I305 VanDerWaalsContact C-N 3.26Å; E303-I305 HydrophobicContact CB-CD1 4.07Å; E303-I305 HydrophobicContact CB-CG1 4.11Å; E303-I305 HydrophobicContact CG-CD1 4.1Å; E303-I305 HydrophobicContact CG-CG1 4.44Å; E303-I305 PolarHBondContact O-N 3.31Å; E303-I305 VanDerWaalsContact O-N 3.16Å |
| 304 | M | 33 | Very low | 31 | Very low | 181 Ų | 181 | 141.2 Ų | 141.2 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | trans | -79.7 | 80.6 | 146.3 | -73.1 | -146.6 | -62.9 | 0 | 0 | 110 | | |
| 305 | I | 30.4 | Very low | 31.6 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 65% | 0.651 | 79% | 0.788 | S | S | * | * | | | trans | -82.5 | 125 | 165.6 | -72.4 | 167.6 | 0 | 0 | 0 | 108.3 | E303 D307 | E303-I305 VanDerWaalsContact C-N 3.26Å; E303-I305 HydrophobicContact CB-CD1 4.07Å; E303-I305 HydrophobicContact CB-CG1 4.11Å; E303-I305 HydrophobicContact CG-CD1 4.1Å; E303-I305 HydrophobicContact CG-CG1 4.44Å; E303-I305 PolarHBondContact O-N 3.31Å; E303-I305 VanDerWaalsContact O-N 3.16Å; I305-D307 PolarHBondContact O-N 2.86Å |
| 306 | F | 24.4 | Very low | 32.6 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -78 | 98.5 | 169.2 | -81.5 | -87.9 | 0 | 0 | 0 | 109.9 | F308 | F306-F308 PolarHBondContact O-N 3.43Š|
| 307 | D | 25.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -79.9 | 99 | 174.5 | -176.2 | 21.2 | 0 | 0 | 0 | 110.5 | I305 K309 | I305-D307 PolarHBondContact O-N 2.86Å; D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 VanDerWaalsContact O-N 3.15Å; D307-K309 WeakPolarHBondContact OD2-CE 3.44Å |
| 308 | F | 33.6 | Very low | 36.4 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | | | trans | -83.2 | 87.5 | 178.8 | -132.3 | -75.1 | 0 | 0 | 0 | 110.4 | F306 D310 | F306-F308 PolarHBondContact O-N 3.43Å; F308-D310 PolarHBondContact O-N 3.16Å |
| 309 | K | 33.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | | | trans | -74.7 | 124.2 | 174.1 | -81.6 | -176.8 | 178.1 | 170.1 | 0 | 112.1 | D307 E311 | D307-K309 PolarHBondContact O-N 2.91Å; D307-K309 VanDerWaalsContact O-N 3.15Å; D307-K309 WeakPolarHBondContact OD2-CE 3.44Å; K309-E311 PolarHBondContact O-N 3.43Å |
| 310 | D | 40.4 | Very low | 39.7 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -73.7 | 98.1 | 176.8 | 177.9 | 21.8 | 0 | 0 | 0 | 111.3 | F308 | F308-D310 PolarHBondContact O-N 3.16Š|
| 311 | E | 37 | Very low | 41.9 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | | | trans | -137.1 | 132.8 | 155.5 | -78.7 | -157.6 | 127.4 | 0 | 0 | 110.7 | K309 | K309-E311 PolarHBondContact O-N 3.43Š|
| 312 | G | 33.7 | Very low | 43.8 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | | | trans | 83.7 | 49.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 313 | S | 35.8 | Very low | 45.7 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | | | trans | 26.7 | 101.1 | 145.2 | 60.9 | 0 | 0 | 0 | 0 | 119 | | |
| 314 | G | 38.6 | Very low | 47.7 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | | | trans | -166.4 | 105.3 | 169 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 315 | Q | 43.7 | Very low | 49.5 | Very low | 176 Ų | 176 | 126 Ų | 126 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | | | trans | 45.4 | 97.8 | 165 | -65.6 | -99.5 | 97.8 | 0 | 0 | 117 | | |
| 316 | I | 50.6 | Low | 51.6 | Low | 129 Ų | 129 | 126.1 Ų | 126.1 | 66% | 0.662 | 66% | 0.66 | S | S | * | * | | | trans | -70.3 | 131.6 | 144.2 | -61.7 | 175.3 | 0 | 0 | 0 | 106.2 | Q321 | I316-Q321 HydrophobicContact CG2-CB 4.41Š|
| 317 | D | 63.7 | Low | 53.4 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 42% | 0.422 | 65% | 0.649 | S | S | . | * | | | trans | -62.2 | 127.4 | -179.2 | -178.2 | 26.7 | 0 | 0 | 0 | 111.5 | E319 L320 Q321 | D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.94Å; D317-L320 HydrophobicContact CB-CB 4.32Å; D317-L320 HydrophobicContact CB-CD1 4.18Å; D317-L320 HydrophobicContact CB-CG 4.49Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.16Å; D317-Q321 PolarHBondContact O-N 3.29Å; D317-Q321 VanDerWaalsContact O-N 3.11Å |
| 318 | P | 66.5 | Low | 55.3 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 54% | 0.539 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -55.2 | -39.2 | -177.4 | -30.1 | 37.1 | 0 | 0 | 0 | 114.7 | L320 Q321 E322 | P318-L320 PolarHBondContact O-N 2.89Å; P318-Q321 PolarHBondContact O-N 3.25Å; P318-E322 WeakPolarHBondContact O-CB 3.26Å; P318-E322 PolarHBondContact O-N 2.66Å |
| 319 | E | 55.7 | Low | 56.3 | Low | 143 Ų | 143 | 119.5 Ų | 119.5 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 178.8 | -68.7 | -167.9 | 103.6 | 0 | 0 | 111.8 | D317 Q321 E322 L323 | D317-E319 VanDerWaalsContact C-N 3.31Å; D317-E319 PolarHBondContact O-N 2.94Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.45Å; E319-E322 PolarHBondContact O-N 3.33Å; E319-L323 WeakPolarHBondContact O-CB 3.34Å; E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.85Å |
| 320 | L | 72.3 | Confident | 56.8 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 48% | 0.482 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.2 | -37.2 | 174.8 | -81.2 | 170.9 | 0 | 0 | 0 | 112.3 | D317 P318 F324 | D317-L320 HydrophobicContact CB-CB 4.32Å; D317-L320 HydrophobicContact CB-CD1 4.18Å; D317-L320 HydrophobicContact CB-CG 4.49Å; D317-L320 PolarHBondContact O-N 2.93Å; D317-L320 VanDerWaalsContact O-N 3.16Å; P318-L320 PolarHBondContact O-N 2.89Å; L320-F324 VanDerWaalsContact O-CD2 3.23Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 3.5Å |
| 321 | Q | 71.5 | Confident | 56.9 | Low | 93 Ų | 93 | 113.6 Ų | 113.6 | 44% | 0.435 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.8 | -36.5 | 176.8 | -173.4 | 56.6 | 85.7 | 0 | 0 | 112.1 | I316 D317 P318 E319 D325 | I316-Q321 HydrophobicContact CG2-CB 4.41Å; D317-Q321 PolarHBondContact O-N 3.29Å; D317-Q321 VanDerWaalsContact O-N 3.11Å; P318-Q321 PolarHBondContact O-N 3.25Å; E319-Q321 VanDerWaalsContact C-N 3.34Å; E319-Q321 PolarHBondContact O-N 3.45Å; Q321-D325 PolarHBondContact O-N 2.9Å |
| 322 | E | 68.4 | Low | 57.1 | Low | 142 Ų | 142 | 109 Ų | 109 | 66% | 0.664 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70 | -39.2 | 176.3 | -164.8 | 155.3 | -132.1 | 0 | 0 | 111.6 | P318 E319 F324 D325 E326 | P318-E322 WeakPolarHBondContact O-CB 3.26Å; P318-E322 PolarHBondContact O-N 2.66Å; E319-E322 PolarHBondContact O-N 3.33Å; E322-F324 PolarHBondContact O-N 3.45Å; E322-D325 CarbonylContact O-C 3.55Å; E322-D325 WeakPolarHBondContact O-CB 3.4Å; E322-D325 PolarHBondContact O-N 2.88Å; E322-D325 VanDerWaalsContact O-N 3.14Å; E322-E326 PolarHBondContact O-N 2.65Å |
| 323 | L | 69.8 | Low | 57.9 | Low | 102 Ų | 102 | 111.9 Ų | 111.9 | 53% | 0.534 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -58.4 | -43.2 | 172.5 | -85.1 | 163.6 | 0 | 0 | 0 | 113.4 | E319 D325 E326 L327 | E319-L323 WeakPolarHBondContact O-CB 3.34Å; E319-L323 WeakPolarHBondContact O-CG 3.05Å; E319-L323 PolarHBondContact O-N 2.85Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 2.73Å; L323-L327 WeakPolarHBondContact O-CB 3.48Å; L323-L327 PolarHBondContact O-N 3.34Å |
| 324 | F | 73.6 | Confident | 58.3 | Low | 129 Ų | 129 | 112.7 Ų | 112.7 | 57% | 0.566 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.4 | -34.3 | 175.4 | -84.5 | -64.4 | 0 | 0 | 0 | 112.4 | L320 E322 T328 | L320-F324 VanDerWaalsContact O-CD2 3.23Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 3.5Å; E322-F324 PolarHBondContact O-N 3.45Å; F324-T328 WeakPolarHBondContact O-CB 3.42Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.92Å |
| 325 | D | 70.4 | Confident | 59.2 | Low | 78 Ų | 78 | 115.2 Ų | 115.2 | 42% | 0.417 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.5 | -36.1 | 178.4 | -124.9 | 48.1 | 0 | 0 | 0 | 111.4 | Q321 E322 L323 K329 | Q321-D325 PolarHBondContact O-N 2.9Å; E322-D325 CarbonylContact O-C 3.55Å; E322-D325 WeakPolarHBondContact O-CB 3.4Å; E322-D325 PolarHBondContact O-N 2.88Å; E322-D325 VanDerWaalsContact O-N 3.14Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 2.97Å; D325-K329 WeakPolarHBondContact O-CD 3.27Å; D325-K329 WeakPolarHBondContact O-CE 3.38Å; D325-K329 WeakPolarHBondContact O-CG 3.26Å; D325-K329 PolarHBondContact O-N 3.3Å; D325-K329 VanDerWaalsContact OD2-CE 3.27Å; D325-K329 WeakPolarHBondContact OD2-CE 3.36Å; D325-K329 IonicContact OD2-NZ 2.62Å; D325-K329 PolarHBondContact OD2-NZ 3.4Å |
| 326 | E | 75.8 | Confident | 59.9 | Low | 131 Ų | 131 | 113.4 Ų | 113.4 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.7 | -47.7 | 174 | -174.7 | 167.2 | -160.2 | 0 | 0 | 111.7 | E322 L323 T328 K329 S330 | E322-E326 PolarHBondContact O-N 2.65Å; L323-E326 PolarHBondContact O-N 2.73Å; E326-T328 PolarHBondContact O-N 3.37Å; E326-K329 PolarHBondContact O-N 2.86Å; E326-S330 PolarHBondContact O-N 3Å; E326-S330 PolarHBondContact O-OG 3.46Å |
| 327 | L | 60.5 | Low | 60.5 | Low | 114 Ų | 114 | 113.5 Ų | 113.5 | 60% | 0.597 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.1 | -30.8 | 177.4 | -169.5 | 68.2 | 0 | 0 | 0 | 112.6 | L323 S330 | L323-L327 WeakPolarHBondContact O-CB 3.48Å; L323-L327 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 2.91Å |
| 328 | T | 66.4 | Low | 60.4 | Low | 108 Ų | 108 | 115.8 Ų | 115.8 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.6 | -24.6 | 176.8 | -54 | 0 | 0 | 0 | 0 | 112.5 | F324 E326 | F324-T328 WeakPolarHBondContact O-CB 3.42Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 2.92Å; E326-T328 PolarHBondContact O-N 3.37Å |
| 329 | K | 54.3 | Low | 60.5 | Low | 146 Ų | 146 | 118.5 Ų | 118.5 | 64% | 0.635 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.4 | -22.9 | 177.1 | -71.9 | 160.7 | -161 | 157 | 0 | 113.2 | D325 E326 V331 | D325-K329 WeakPolarHBondContact O-CD 3.27Å; D325-K329 WeakPolarHBondContact O-CE 3.38Å; D325-K329 WeakPolarHBondContact O-CG 3.26Å; D325-K329 PolarHBondContact O-N 3.3Å; D325-K329 VanDerWaalsContact OD2-CE 3.27Å; D325-K329 WeakPolarHBondContact OD2-CE 3.36Å; D325-K329 IonicContact OD2-NZ 2.62Å; D325-K329 PolarHBondContact OD2-NZ 3.4Å; E326-K329 PolarHBondContact O-N 2.86Å; K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.49Å |
| 330 | S | 43.6 | Very low | 60.7 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -82.3 | -0.9 | -175.3 | 55.4 | 0 | 0 | 0 | 0 | 115.4 | E326 L327 P332 | E326-S330 PolarHBondContact O-N 3Å; E326-S330 PolarHBondContact O-OG 3.46Å; L327-S330 PolarHBondContact O-OG 2.91Å; S330-P332 WeakPolarHBondContact O-CD 3.48Å |
| 331 | V | 42.2 | Very low | 60.1 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 66% | 0.655 | 62% | 0.617 | S | S | * | * | | | trans | -112.4 | 100.5 | 179.5 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | K329 | K329-V331 VanDerWaalsContact C-N 3.34Å; K329-V331 PolarHBondContact O-N 3.49Å |
| 332 | P | 42.8 | Very low | 59.6 | Low | 95 Ų | 95 | 120.6 Ų | 120.6 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | | | trans | -64.3 | 139.9 | 169.2 | -18.4 | 31.6 | 0 | 0 | 0 | 110.5 | S330 L334 | S330-P332 WeakPolarHBondContact O-CD 3.48Å; P332-L334 PolarHBondContact O-N 3.39Å |
| 333 | P | 50.1 | Low | 59.2 | Low | 128 Ų | 128 | 120 Ų | 120 | 83% | 0.831 | 63% | 0.625 | S | S | * | * | | | trans | -67.9 | 102.9 | 169.7 | 28.2 | -32.6 | 0 | 0 | 0 | 109 | N335 | P333-N335 PolarHBondContact O-N 2.92Š|
| 334 | L | 43.3 | Very low | 58.5 | Low | 143 Ų | 143 | 121.6 Ų | 121.6 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | | | trans | -59.9 | 130.4 | 176.4 | -65.8 | 175.1 | 0 | 0 | 0 | 109.7 | P332 | P332-L334 PolarHBondContact O-N 3.39Š|
| 335 | N | 57.9 | Low | 57.2 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | | | trans | -96.8 | 124.2 | -173.4 | -166.5 | 14.3 | 0 | 0 | 0 | 109.4 | P333 L337 E338 | P333-N335 PolarHBondContact O-N 2.92Å; N335-L337 PolarHBondContact O-N 3.44Å; N335-E338 PolarHBondContact O-N 2.62Å |
| 336 | D | 57.6 | Low | 56.3 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 74% | 0.738 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -51.9 | -27.7 | -166.4 | -67.3 | -51 | 0 | 0 | 0 | 114.9 | E338 F339 E340 | D336-E338 PolarHBondContact O-N 3.38Å; D336-F339 PolarHBondContact O-N 3.49Å; D336-F339 VanDerWaalsContact O-N 3.12Å; D336-E340 PolarHBondContact O-N 3.28Å |
| 337 | L | 64.8 | Low | 55 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.7 | -23.9 | 178.7 | -168.4 | 64.8 | 0 | 0 | 0 | 114.1 | N335 | N335-L337 PolarHBondContact O-N 3.44Å |
| 338 | E | 61.6 | Low | 54.3 | Low | 126 Ų | 126 | 127.8 Ų | 127.8 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.3 | -36.3 | 175.7 | -170.8 | 158.6 | -133.8 | 0 | 0 | 112 | N335 D336 E340 K341 I342 | N335-E338 PolarHBondContact O-N 2.62Å; D336-E338 PolarHBondContact O-N 3.38Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.08Å; E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.32Å; E338-I342 HydrophobicContact CG-CD1 4.4Å; E338-I342 WeakPolarHBondContact O-CG1 3.47Å; E338-I342 PolarHBondContact O-N 3.44Å; E338-I342 VanDerWaalsContact O-N 3.14Å |
| 339 | F | 67.4 | Low | 52.8 | Low | 141 Ų | 141 | 131.6 Ų | 131.6 | 62% | 0.618 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -66.2 | -38.8 | 176.6 | -139.6 | -92.3 | 0 | 0 | 0 | 111.6 | D336 K341 I342 L343 | D336-F339 PolarHBondContact O-N 3.49Å; D336-F339 VanDerWaalsContact O-N 3.12Å; F339-K341 PolarHBondContact O-N 3.42Å; F339-I342 PolarHBondContact O-N 3.1Å; F339-L343 HydrophobicContact CD1-CD1 3.79Å; F339-L343 HydrophobicContact CD1-CG 4.37Å; F339-L343 HydrophobicContact CE1-CD1 4.14Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 3.37Å; F339-L343 VanDerWaalsContact O-N 3.13Å |
| 340 | E | 61 | Low | 52 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 48% | 0.477 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -64.5 | -25.2 | 175 | -129.5 | -90.5 | 151 | 0 | 0 | 112.9 | D336 E338 K344 | D336-E340 PolarHBondContact O-N 3.28Å; E338-E340 VanDerWaalsContact C-N 3.35Å; E338-E340 PolarHBondContact O-N 3.08Å; E340-K344 WeakPolarHBondContact O-CD 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 WeakPolarHBondContact OE1-CE 3.44Å; E340-K344 IonicContact OE1-NZ 2.65Å; E340-K344 PolarHBondContact OE1-NZ 3.38Å; E340-K344 IonicContact OE2-NZ 2.66Å; E340-K344 PolarHBondContact OE2-NZ 3.06Å |
| 341 | K | 59 | Low | 51.8 | Low | 157 Ų | 157 | 132.3 Ų | 132.3 | 68% | 0.683 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -78 | -47.7 | 172.8 | -103.5 | -175.4 | 174.5 | -176.2 | 0 | 112.6 | E338 F339 L343 K344 | E338-K341 WeakPolarHBondContact O-CB 3.35Å; E338-K341 PolarHBondContact O-N 3.32Å; F339-K341 PolarHBondContact O-N 3.42Å; K341-L343 VanDerWaalsContact C-N 3.28Å; K341-L343 PolarHBondContact O-N 2.82Å; K341-K344 PolarHBondContact O-N 3.2Å |
| 342 | I | 62 | Low | 51.5 | Low | 113 Ų | 113 | 133.7 Ų | 133.7 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -60.4 | -41.5 | -178.6 | -66.3 | 165.8 | 0 | 0 | 0 | 110.2 | E338 F339 K344 Q345 | E338-I342 HydrophobicContact CG-CD1 4.4Å; E338-I342 WeakPolarHBondContact O-CG1 3.47Å; E338-I342 PolarHBondContact O-N 3.44Å; E338-I342 VanDerWaalsContact O-N 3.14Å; F339-I342 PolarHBondContact O-N 3.1Å; I342-K344 PolarHBondContact O-N 3.37Å; I342-K344 VanDerWaalsContact O-N 3.13Å; I342-Q345 PolarHBondContact O-N 2.95Å |
| 343 | L | 59.2 | Low | 51.1 | Low | 129 Ų | 129 | 137 Ų | 137 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.6 | 177.2 | -72.2 | 170.7 | 0 | 0 | 0 | 115.3 | F339 K341 | F339-L343 HydrophobicContact CD1-CD1 3.79Å; F339-L343 HydrophobicContact CD1-CG 4.37Å; F339-L343 HydrophobicContact CE1-CD1 4.14Å; F339-L343 WeakPolarHBondContact O-CG 3.47Å; F339-L343 PolarHBondContact O-N 3.37Å; F339-L343 VanDerWaalsContact O-N 3.13Å; K341-L343 VanDerWaalsContact C-N 3.28Å; K341-L343 PolarHBondContact O-N 2.82Å |
| 344 | K | 54.2 | Low | 50.3 | Low | 136 Ų | 136 | 133.5 Ų | 133.5 | 59% | 0.591 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 7.2 | -178.6 | -76.8 | 179.7 | -178.8 | 166.6 | 0 | 114.7 | E340 K341 I342 | E340-K344 WeakPolarHBondContact O-CD 3.35Å; E340-K344 WeakPolarHBondContact O-CG 3.36Å; E340-K344 WeakPolarHBondContact OE1-CE 3.44Å; E340-K344 IonicContact OE1-NZ 2.65Å; E340-K344 PolarHBondContact OE1-NZ 3.38Å; E340-K344 IonicContact OE2-NZ 2.66Å; E340-K344 PolarHBondContact OE2-NZ 3.06Å; K341-K344 PolarHBondContact O-N 3.2Å; I342-K344 PolarHBondContact O-N 3.37Å; I342-K344 VanDerWaalsContact O-N 3.13Å |
| 345 | Q | 48.3 | Very low | 49.7 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -114.4 | -0.9 | -172.4 | -153.3 | 171.6 | -19 | 0 | 0 | 114.8 | I342 | I342-Q345 PolarHBondContact O-N 2.95Š|
| 346 | D | 50 | Low | 49 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | | | trans | -91.6 | -13.9 | -171.2 | -128 | -119 | 0 | 0 | 0 | 115 | T348 | D346-T348 PolarHBondContact O-N 2.92Š|
| 347 | D | 48.5 | Very low | 47.6 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 26.8 | -175.5 | -78.2 | -47.7 | 0 | 0 | 0 | 115.2 | | |
| 348 | T | 47.2 | Very low | 46 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 3.3 | -172.3 | -56.6 | 0 | 0 | 0 | 0 | 115.2 | D346 | D346-T348 PolarHBondContact O-N 2.92Š|
| 349 | F | 33.2 | Very low | 44.5 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | -119.1 | 44.1 | 173.1 | -76.6 | -74 | 0 | 0 | 0 | 114.8 | L351 | F349-L351 PolarHBondContact O-N 3.1Š|
| 350 | G | 38.1 | Very low | 42.6 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | -71.4 | 84.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D352 | G350-D352 PolarHBondContact O-N 3.07Š|
| 351 | L | 39.9 | Very low | 41.1 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -75.4 | 101.1 | 174.3 | -92.2 | 167.9 | 0 | 0 | 0 | 111.6 | F349 | F349-L351 PolarHBondContact O-N 3.1Š|
| 352 | D | 35 | Very low | 39.5 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | | | trans | -69.5 | 144.3 | 162.9 | -176.8 | 21.2 | 0 | 0 | 0 | 110.8 | G350 G354 | G350-D352 PolarHBondContact O-N 3.07Å; D352-G354 PolarHBondContact OD1-N 3.04Å |
| 353 | L | 35.8 | Very low | 38.1 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -145.5 | 39.9 | 173 | -119 | 162.8 | 0 | 0 | 0 | 111.4 | | |
| 354 | G | 31.3 | Very low | 36.6 | Very low | 53 Ų | 53 | 131.7 Ų | 131.7 | 55% | 0.546 | 80% | 0.797 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 154.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D352 | D352-G354 PolarHBondContact OD1-N 3.04Š|
| 355 | R | 30.8 | Very low | 35.3 | Very low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 153.5 | 178.5 | -88.5 | -177 | 167.7 | -160.3 | -2.7 | 112.3 | | |
| 356 | P | 44.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 142.3 | -171.7 | 30.8 | -36.6 | 0 | 0 | 0 | 113.6 | | |
| 357 | N | 26.9 | Very low | 33.2 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -155.7 | 160 | 143.8 | -139.6 | 0.8 | 0 | 0 | 0 | 111.7 | | |
| 358 | S | 31.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -93 | 135.7 | -160.8 | -46.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 359 | A | 30.2 | Very low | 32.1 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -171.8 | 156.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 360 | G | 27.7 | Very low | 32 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 98.5 | 147.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 361 | A | 29 | Very low | 31.8 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -149.1 | 158 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 362 | A | 27 | Very low | 31.1 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | 67.1 | 157.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 363 | A | 30.7 | Very low | 30.9 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | cis | -140.1 | 164.7 | 9.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 364 | T | 28.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -57.5 | 149.2 | 170.4 | -33.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 365 | L | 27 | Very low | 30.5 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | | -170.4 | 168.3 | 126.2 | -102.6 | 165.8 | 0 | 0 | 0 | 111.8 | | |
| 366 | C | 23.8 | Very low | 30.2 | Very low | 114 Ų | 114 | 125 Ų | 125 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -127.6 | 172.3 | -169.5 | -155.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 367 | S | 31.1 | Very low | 29.3 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | -65.6 | 162.2 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 368 | P | 42.5 | Very low | 29.4 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -108.2 | 167.5 | 141.7 | 36.1 | -29.2 | 0 | 0 | 0 | 113 | | |
| 369 | V | 29.7 | Very low | 29.3 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | trans | -131.9 | 150.1 | -169.2 | 159.5 | 0 | 0 | 0 | 0 | 111 | | |
| 370 | D | 29.9 | Very low | 29.1 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | | | trans | -174.3 | 163.4 | 162.7 | -109.1 | 25.1 | 0 | 0 | 0 | 108 | | |
| 371 | K | 34.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 70% | 0.7 | 76% | 0.762 | S | S | * | * | | | cis | -172.9 | 155.3 | -23.1 | -110.1 | -168.2 | -166.8 | 76.8 | 0 | 106.2 | | |
| 372 | V | 26.1 | Very low | 29.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | cis | -168.1 | 143.9 | -14 | 78.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 373 | I | 30.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | 66.7 | 140.8 | 158.8 | -75.4 | 159.1 | 0 | 0 | 0 | 116.7 | | |
| 374 | K | 27 | Very low | 29 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | | | cis | -153.8 | 153.7 | 27.4 | -146.7 | 162.1 | 177.9 | -173.7 | 0 | 112.1 | | |
| 375 | T | 31.1 | Very low | 29 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | | | trans | 22.1 | 142.5 | 144.4 | 65.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 376 | E | 25.6 | Very low | 29.1 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | | | cis | -165.8 | 176.6 | 13.5 | -137.7 | 72.1 | 105.1 | 0 | 0 | 107.4 | | |
| 377 | H | 26.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -153.4 | -179 | 0.3 | -164 | 62.3 | 0 | 0 | 0 | 108.9 | | |
| 378 | S | 27.9 | Very low | 29.4 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -131.9 | 147.4 | 174 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 379 | Q | 30.6 | Very low | 29.4 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | | | trans | -146.3 | 126.9 | 151.1 | -147.9 | 160.7 | 10.3 | 0 | 0 | 111.5 | | |
| 380 | D | 25.3 | Very low | 29.6 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | | | trans | -116.8 | 141.7 | -175.4 | 177.6 | 5.8 | 0 | 0 | 0 | 108.2 | | |
| 381 | F | 29.6 | Very low | 29.9 | Very low | 201 Ų | 201 | 140.7 Ų | 140.7 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | | | trans | -162.3 | 131.1 | 157.7 | -104.9 | -69.4 | 0 | 0 | 0 | 110 | | |
| 382 | G | 27.4 | Very low | 29.8 | Very low | 56 Ų | 56 | 143.3 Ų | 143.3 | 58% | 0.577 | 78% | 0.777 | S | S | * | * | | | trans | -133.3 | -148.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 383 | Q | 27.5 | Very low | 30.9 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 98% | 0.981 | 79% | 0.785 | S | S | * | * | | | trans | 85.7 | 138.3 | -174.4 | -54.3 | -169.9 | -35.7 | 0 | 0 | 116.6 | | |
| 384 | G | 26.9 | Very low | 30.8 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | 156.8 | 90 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 385 | H | 29.3 | Very low | 31 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -100 | 170.3 | -172.6 | -123.4 | -106 | 0 | 0 | 0 | 112.9 | | |
| 386 | N | 28.6 | Very low | 31.1 | Very low | 157 Ų | 157 | 138.9 Ų | 138.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | 81 | 143.8 | 173 | -43.8 | -34.6 | 0 | 0 | 0 | 115.4 | | |
| 387 | G | 29.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | cis | -174.1 | 162.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 388 | S | 32.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -87.8 | 154.8 | 176.8 | -157.6 | 0 | 0 | 0 | 0 | 111 | | |
| 389 | P | 43.5 | Very low | 32.8 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | | -145.1 | 168.2 | 91 | 38.4 | -22.4 | 0 | 0 | 0 | 116.7 | | |
| 390 | Q | 32.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -90.8 | 142.4 | 178.5 | 156.8 | -164.4 | -39.6 | 0 | 0 | 112.6 | | |
| 391 | L | 35.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -139.9 | 151.7 | 151.8 | -76.5 | -178.4 | 0 | 0 | 0 | 112.7 | | |
| 392 | R | 33 | Very low | 33.1 | Very low | 216 Ų | 216 | 133.1 Ų | 133.1 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | | | trans | -130.2 | 173.5 | 171.6 | -95.1 | -177.7 | 176.9 | 143.9 | -1.6 | 106.5 | | |
| 393 | P | 47.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | | | cis | -133.4 | -154.3 | 19.5 | 34.1 | -10.2 | 0 | 0 | 0 | 112.5 | | |
| 394 | A | 28.8 | Very low | 33.4 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | | | | -164.6 | 173 | -63 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 395 | S | 31.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 83.4 | 135.9 | 153 | -55.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 396 | A | 32.7 | Very low | 33.5 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | | | trans | 72.8 | 137 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 397 | G | 32 | Very low | 33.5 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -112.8 | -143.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 398 | P | 49.8 | Very low | 33.4 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | | | cis | -136 | -169 | 8.4 | 43.5 | -25 | 0 | 0 | 0 | 115.7 | | |
| 399 | S | 33.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | -50.2 | 156.1 | -175 | -36.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 400 | F | 32.1 | Very low | 32.3 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | | -155.6 | 160.6 | 121 | 43.3 | -105.4 | 0 | 0 | 0 | 112.8 | | |
| 401 | T | 30.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -109.2 | 158.8 | -178.9 | 42.4 | 0 | 0 | 0 | 0 | 112 | | |
| 402 | L | 30.5 | Very low | 32.1 | Very low | 178 Ų | 178 | 130.9 Ų | 130.9 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -131.4 | 151.4 | 161.8 | -78.5 | 176.8 | 0 | 0 | 0 | 110 | | |
| 403 | N | 29.3 | Very low | 31.7 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -94.4 | 158.7 | -172.6 | -166.4 | 25.3 | 0 | 0 | 0 | 112.7 | | |
| 404 | S | 31.9 | Very low | 30.7 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 147.3 | -174 | -55.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 405 | T | 29.1 | Very low | 30.7 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | | -164.9 | 142.5 | 121.3 | 6.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 406 | A | 29.3 | Very low | 30.6 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | 39.4 | 139.1 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 407 | S | 28.2 | Very low | 30.4 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | cis | -171.3 | 173 | -3.2 | -110 | 0 | 0 | 0 | 0 | 111.6 | | |
| 408 | T | 25.9 | Very low | 30.2 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | | | trans | 59.7 | 123.9 | 163.1 | 49.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 409 | N | 26 | Very low | 29.2 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | -131.2 | 126.4 | 153.9 | -155.3 | 6.2 | 0 | 0 | 0 | 107.7 | | |
| 410 | T | 28.5 | Very low | 29 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | | | trans | -113.3 | 140.8 | -177.5 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 411 | S | 28.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -86.5 | 113 | 148.1 | -64.7 | 0 | 0 | 0 | 0 | 106 | | |
| 412 | Q | 34.2 | Very low | 28.9 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | | | | 53.4 | 107.4 | 79.9 | -59.6 | -173.6 | 5.2 | 0 | 0 | 109.8 | | |
| 413 | K | 25.1 | Very low | 28.8 | Very low | 216 Ų | 216 | 135.1 Ų | 135.1 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | | | | -163.2 | 135.9 | 59 | 170.9 | -169.4 | -177 | -175.1 | 0 | 109.6 | | |
| 414 | G | 26.8 | Very low | 28.9 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | cis | 168 | 167.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 415 | N | 28.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | | | trans | 91.8 | 144.6 | 169 | -155.7 | 28.5 | 0 | 0 | 0 | 120.4 | | |
| 416 | A | 29.5 | Very low | 29.3 | Very low | 72 Ų | 72 | 136 Ų | 136 | 60% | 0.595 | 81% | 0.808 | S | S | * | * | | | trans | 68.9 | 96.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 417 | Q | 28.2 | Very low | 29.5 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 64.5 | 117.6 | 132.2 | -67.9 | 179.8 | -86.2 | 0 | 0 | 124.5 | | |
| 418 | S | 27.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | 63.7 | 105.6 | 140 | 61.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 419 | G | 28.6 | Very low | 31.1 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -163.4 | 141.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 420 | H | 29.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | | | trans | -104.3 | 133.4 | -175.9 | -77.5 | 64.7 | 0 | 0 | 0 | 112.3 | | |
| 421 | S | 26.6 | Very low | 33.7 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -133.4 | 133.4 | 161.5 | -71.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 422 | R | 33.8 | Very low | 35.5 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | trans | -104.5 | 127.1 | -178.7 | -58.5 | -176.9 | -171.7 | -157.6 | 1.1 | 110.4 | | |
| 423 | A | 29.2 | Very low | 37 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 144 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 424 | M | 31.9 | Very low | 39 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 148.6 | 173.1 | -77.9 | -70.4 | -71.9 | 0 | 0 | 110.7 | | |
| 425 | P | 39.4 | Very low | 41.3 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 146.3 | -179.7 | -15.2 | 30.5 | 0 | 0 | 0 | 112.7 | | |
| 426 | C | 29.7 | Very low | 43.5 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 152.8 | 161.5 | -162.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 427 | W | 32.9 | Very low | 45.3 | Very low | 234 Ų | 234 | 137.8 Ų | 137.8 | 89% | 0.886 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 148.8 | -177.7 | -74.6 | 77.9 | 0 | 0 | 0 | 112.3 | E429 | W427-E429 PolarHBondContact O-N 3.01Š|
| 428 | P | 50.8 | Low | 47.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.8 | 172.4 | -17.9 | 32 | 0 | 0 | 0 | 111.6 | I430 | P428-I430 PolarHBondContact O-N 3.31Š|
| 429 | E | 37.7 | Very low | 48.9 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | | | trans | -73.8 | 109.2 | 177 | -169.1 | -179.9 | 169.9 | 0 | 0 | 110.7 | W427 S431 | W427-E429 PolarHBondContact O-N 3.01Å; E429-S431 PolarHBondContact O-N 2.92Å |
| 430 | I | 59.7 | Low | 50.1 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 61% | 0.605 | 72% | 0.721 | S | S | * | * | | | trans | -81.5 | 118.2 | -179.4 | -66.8 | 164.6 | 0 | 0 | 0 | 109.4 | P428 H432 | P428-I430 PolarHBondContact O-N 3.31Å; I430-H432 PolarHBondContact O-N 2.86Å |
| 431 | S | 49.5 | Very low | 51.1 | Low | 80 Ų | 80 | 131.8 Ų | 131.8 | 56% | 0.559 | 71% | 0.713 | S | S | * | * | | | trans | -59.3 | 130.6 | 177 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | E429 A433 Q434 | E429-S431 PolarHBondContact O-N 2.92Å; S431-A433 PolarHBondContact O-N 3.46Å; S431-Q434 VanDerWaalsContact O-CB 3.32Å; S431-Q434 WeakPolarHBondContact O-CB 3.33Å; S431-Q434 PolarHBondContact O-N 3.28Å |
| 432 | H | 65.1 | Low | 52.3 | Low | 140 Ų | 140 | 132.5 Ų | 132.5 | 65% | 0.648 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -51.7 | -31.7 | -176.8 | -172.7 | -105.3 | 0 | 0 | 0 | 114.2 | I430 Q434 | I430-H432 PolarHBondContact O-N 2.86Å; H432-Q434 VanDerWaalsContact C-N 3.27Å; H432-Q434 PolarHBondContact O-N 3.17Å |
| 433 | A | 66.6 | Low | 53.6 | Low | 68 Ų | 68 | 129.5 Ų | 129.5 | 56% | 0.562 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -69.4 | -20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S431 | S431-A433 PolarHBondContact O-N 3.46Å |
| 434 | Q | 66.2 | Low | 54.5 | Low | 137 Ų | 137 | 132.8 Ų | 132.8 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -87.9 | -36.8 | -178.2 | -161.3 | 148.8 | -41.6 | 0 | 0 | 111.6 | S431 H432 L436 K437 Q438 | S431-Q434 VanDerWaalsContact O-CB 3.32Å; S431-Q434 WeakPolarHBondContact O-CB 3.33Å; S431-Q434 PolarHBondContact O-N 3.28Å; H432-Q434 VanDerWaalsContact C-N 3.27Å; H432-Q434 PolarHBondContact O-N 3.17Å; Q434-L436 PolarHBondContact O-N 3.48Å; Q434-K437 PolarHBondContact O-N 2.86Å; Q434-Q438 PolarHBondContact O-N 2.8Å; Q434-Q438 VanDerWaalsContact O-N 3.16Å |
| 435 | Q | 75.3 | Confident | 55.1 | Low | 101 Ų | 101 | 132.2 Ų | 132.2 | 47% | 0.472 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -59.9 | -43.4 | 173.7 | -169.9 | 175.9 | 7.5 | 0 | 0 | 112 | K437 Q438 M439 | Q435-K437 PolarHBondContact O-N 3.25Å; Q435-Q438 PolarHBondContact O-N 3.09Å; Q435-M439 PolarHBondContact O-N 3.23Å |
| 436 | L | 75.8 | Confident | 55.9 | Low | 106 Ų | 106 | 132.8 Ų | 132.8 | 56% | 0.555 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -63.3 | -36.4 | 175.8 | -77.9 | 162.9 | 0 | 0 | 0 | 113.3 | Q434 Q438 A440 | Q434-L436 PolarHBondContact O-N 3.48Å; L436-Q438 VanDerWaalsContact C-N 3.33Å; L436-A440 PolarHBondContact O-N 3.42Å |
| 437 | K | 67.1 | Low | 56.3 | Low | 164 Ų | 164 | 130.7 Ų | 130.7 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.1 | -31.9 | 174.6 | -82.1 | -177.4 | 174 | 178.6 | 0 | 112.8 | Q434 Q435 A440 A441 | Q434-K437 PolarHBondContact O-N 2.86Å; Q435-K437 PolarHBondContact O-N 3.25Å; K437-A440 PolarHBondContact O-N 2.84Å; K437-A441 PolarHBondContact O-N 3.18Å |
| 438 | Q | 68.9 | Low | 56.4 | Low | 145 Ų | 145 | 124.1 Ų | 124.1 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -72.4 | -31.5 | -178.5 | -161.9 | 165.9 | 8.3 | 0 | 0 | 112.6 | Q434 Q435 L436 | Q434-Q438 PolarHBondContact O-N 2.8Å; Q434-Q438 VanDerWaalsContact O-N 3.16Å; Q435-Q438 PolarHBondContact O-N 3.09Å; L436-Q438 VanDerWaalsContact C-N 3.33Å |
| 439 | M | 62.2 | Low | 55.8 | Low | 129 Ų | 129 | 126.7 Ų | 126.7 | 64% | 0.635 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.7 | -41 | 170.5 | -63.9 | -178.8 | -176.1 | 0 | 0 | 112.2 | Q435 A441 N442 | Q435-M439 PolarHBondContact O-N 3.23Å; M439-A441 VanDerWaalsContact C-N 3.28Å; M439-A441 PolarHBondContact O-N 2.89Å; M439-N442 PolarHBondContact O-N 3Å |
| 440 | A | 54.8 | Low | 55.8 | Low | 80 Ų | 80 | 124.2 Ų | 124.2 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.4 | -25.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L436 K437 N442 | L436-A440 PolarHBondContact O-N 3.42Å; K437-A440 PolarHBondContact O-N 2.84Å; A440-N442 VanDerWaalsContact C-N 3.31Å; A440-N442 PolarHBondContact O-N 3.3Å |
| 441 | A | 50.1 | Low | 54.6 | Low | 81 Ų | 81 | 126.1 Ų | 126.1 | 67% | 0.669 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | K437 M439 | K437-A441 PolarHBondContact O-N 3.18Å; M439-A441 VanDerWaalsContact C-N 3.28Å; M439-A441 PolarHBondContact O-N 2.89Å |
| 442 | N | 51.5 | Low | 53.9 | Low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | 28.5 | -166.5 | -151.8 | 14.7 | 0 | 0 | 0 | 114.4 | M439 A440 | M439-N442 PolarHBondContact O-N 3Å; A440-N442 VanDerWaalsContact C-N 3.31Å; A440-N442 PolarHBondContact O-N 3.3Å |
| 443 | Q | 60.8 | Low | 52.2 | Low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -129.1 | 17 | -176.2 | -83.4 | -122.7 | 37.3 | 0 | 0 | 114.3 | | |
| 444 | Q | 48.3 | Very low | 50.5 | Low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | | | trans | -150.3 | 128.6 | -179.4 | -68.8 | -169.5 | 21.7 | 0 | 0 | 109.8 | | |
| 445 | Q | 45.3 | Very low | 48.7 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | cis | -141.8 | -138.8 | -7 | -64.1 | -160.9 | 8.1 | 0 | 0 | 110.7 | | |
| 446 | P | 55.3 | Low | 46.4 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | | -115.2 | 177 | -95 | 32.9 | -15.1 | 0 | 0 | 0 | 114.5 | | |
| 447 | G | 39.1 | Very low | 44.1 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | | | trans | -110 | 157.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 448 | A | 35 | Very low | 42.2 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 74% | 0.743 | S | S | * | * | | | trans | -164.5 | 154.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 449 | L | 38.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | | | cis | -151.7 | -179.5 | 3.8 | -126.1 | 166.6 | 0 | 0 | 0 | 109.9 | | |
| 450 | L | 36.5 | Very low | 38.7 | Very low | 144 Ų | 144 | 134 Ų | 134 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | -86 | 143.1 | -166.8 | -59 | 162.6 | 0 | 0 | 0 | 115.7 | | |
| 451 | H | 35.6 | Very low | 37.4 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 73% | 0.731 | 75% | 0.753 | S | S | * | * | | | | 178 | 137 | 117.1 | -107.3 | 62.9 | 0 | 0 | 0 | 117.1 | | |
| 452 | H | 34.3 | Very low | 36.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | trans | 57.3 | 165.8 | 147.2 | -84.5 | 47.2 | 0 | 0 | 0 | 120.6 | | |
| 453 | Q | 28.6 | Very low | 35.2 | Very low | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | cis | -174.1 | 136.4 | -35.4 | -176 | -161.2 | 14.9 | 0 | 0 | 109.5 | | |
| 454 | H | 31.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | | | trans | 62.1 | 169.3 | 166.3 | -108.9 | 21.8 | 0 | 0 | 0 | 116.1 | | |
| 455 | Q | 29 | Very low | 32.3 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | cis | -145.4 | -159.3 | 1.9 | -152.4 | 157.6 | -0.9 | 0 | 0 | 110.9 | | |
| 456 | T | 27.2 | Very low | 31.7 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -114.5 | 173.2 | -165.4 | 53 | 0 | 0 | 0 | 0 | 115 | | |
| 457 | Q | 26.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | 74.9 | 156.1 | 149.8 | -86.2 | 177.7 | 47.3 | 0 | 0 | 117.4 | | |
| 458 | H | 27.2 | Very low | 29.7 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | cis | -162.7 | 155 | -16.1 | -161.6 | -134.7 | 0 | 0 | 0 | 110.7 | | |
| 459 | V | 28.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | | | trans | 22.8 | 137.3 | 151.5 | 172.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 460 | G | 29 | Very low | 29.2 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | 149.4 | 81.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 461 | M | 27.7 | Very low | 28.9 | Very low | 160 Ų | 160 | 142 Ų | 142 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | | | | 84.2 | 126 | 87.8 | -88.6 | -172.6 | 64 | 0 | 0 | 117.3 | | |
| 462 | T | 29.9 | Very low | 29.1 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 58.6 | 127.8 | 151.3 | 55.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 463 | G | 26.4 | Very low | 28.9 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | | | trans | 160.3 | 86.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 464 | W | 23.9 | Very low | 28.9 | Very low | 236 Ų | 236 | 136.7 Ų | 136.7 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | | | trans | -38.9 | 144.5 | 176.4 | -75.3 | 65.7 | 0 | 0 | 0 | 120 | | |
| 465 | T | 24.9 | Very low | 28.8 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | 72.7 | 152.4 | 146.7 | 48 | 0 | 0 | 0 | 0 | 121.4 | | |
| 466 | A | 32 | Very low | 28.7 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | trans | -99.1 | 157.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 467 | T | 26 | Very low | 28.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | | | trans | -144.8 | 154.7 | 165.4 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 468 | M | 25.6 | Very low | 28.9 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 168.7 | -169.4 | -68.7 | -69.9 | -178.2 | 0 | 0 | 114.6 | | |
| 469 | C | 35.3 | Very low | 28.9 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57 | 151.2 | 170 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 470 | P | 28.4 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 120.5 | 153.3 | 32 | -23.3 | 0 | 0 | 0 | 112.1 | | |
| 471 | Q | 30.3 | Very low | 29 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 168.6 | 147.5 | -115.7 | -176.6 | -1.4 | 0 | 0 | 109.7 | | |
| 472 | P | 39.5 | Very low | 29.2 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | | -152.7 | -158.4 | 54.6 | 46.4 | -24.6 | 0 | 0 | 0 | 113.5 | | |
| 473 | T | 30.6 | Very low | 29 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | cis | -148.5 | 170.8 | 2 | 10.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 474 | T | 27.8 | Very low | 29.2 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | cis | -159.7 | 144.5 | 39.4 | 44.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 475 | S | 28.7 | Very low | 29.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 51.1 | 143 | 144.4 | 61.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 476 | S | 28.5 | Very low | 30 | Very low | 91 Ų | 91 | 134 Ų | 134 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | | | cis | -166.6 | 129.5 | 8 | 141.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 477 | F | 26.2 | Very low | 29.9 | Very low | 202 Ų | 202 | 135.9 Ų | 135.9 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | | | trans | 57.5 | 140.6 | 149.3 | -69.1 | -118.5 | 0 | 0 | 0 | 120 | | |
| 478 | A | 31.4 | Very low | 30.1 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | cis | -167.7 | -172.1 | -19 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 479 | K | 26.9 | Very low | 30.2 | Very low | 204 Ų | 204 | 134.2 Ų | 134.2 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | cis | -161.8 | 171.3 | 8.9 | -102 | 160.3 | -175.6 | 172.8 | 0 | 105 | | |
| 480 | A | 31.9 | Very low | 29.9 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | cis | -177.4 | 169.7 | -29.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 481 | K | 27.2 | Very low | 30 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | 79.6 | 98.1 | 167.9 | -142.3 | 168.5 | -172 | 178.7 | 0 | 116.6 | | |
| 482 | V | 31.5 | Very low | 29.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | | 77.7 | 132.3 | 76.7 | 166.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 483 | S | 26.5 | Very low | 29.1 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | cis | -140.8 | -148.6 | 41.1 | -156.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 484 | N | 30 | Very low | 28.8 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -162.3 | 171.1 | -148.7 | -162.8 | 2 | 0 | 0 | 0 | 115.5 | | |
| 485 | Q | 33.7 | Very low | 28.8 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 65 | 170.2 | 157.7 | -87.6 | 174.6 | -2.2 | 0 | 0 | 120.1 | | |
| 486 | A | 31.1 | Very low | 28.8 | Very low | 80 Ų | 80 | 140.7 Ų | 140.7 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | | | cis | -160.6 | 168.2 | -11.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 487 | T | 31.5 | Very low | 28.7 | Very low | 135 Ų | 135 | 143.1 Ų | 143.1 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | cis | 112.7 | 96.7 | 2.5 | -54.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 488 | L | 29.9 | Very low | 28.9 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | -163.5 | 168.5 | 166 | -150.9 | 68.9 | 0 | 0 | 0 | 114.9 | | |
| 489 | N | 27.4 | Very low | 28.8 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | | | | -167.8 | 175.9 | -74.8 | -165.5 | 5.3 | 0 | 0 | 0 | 112.1 | | |
| 490 | Q | 29.3 | Very low | 28.8 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 86.5 | 137.5 | 163.5 | -52.5 | -170.7 | 102.5 | 0 | 0 | 118.2 | | |
| 491 | Q | 29.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | cis | 102.3 | 128.3 | 9.9 | -66.4 | -164.1 | -2.3 | 0 | 0 | 118.5 | | |
| 492 | K | 28.2 | Very low | 28.6 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 77% | 0.774 | 77% | 0.773 | S | S | * | * | | | | 119.3 | 121.6 | 122.9 | -156.7 | 160.9 | -177.7 | 176.5 | 0 | 120.9 | | |
| 493 | M | 23.9 | Very low | 28.4 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | 60.3 | 145.7 | 148 | -68.9 | -89.1 | -80.5 | 0 | 0 | 122.3 | | |
| 494 | G | 24.4 | Very low | 28.6 | Very low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | 152 | 125.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 495 | S | 28.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -137 | 130.1 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 496 | H | 27.6 | Very low | 28.3 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | | 174.9 | 144.6 | 129.6 | -110.3 | -91.5 | 0 | 0 | 0 | 114.5 | | |
| 497 | N | 25.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | 67.8 | 161.6 | 145.8 | -90.2 | -39.7 | 0 | 0 | 0 | 123.6 | | |
| 498 | K | 31.6 | Very low | 27.9 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | -83.6 | 143.1 | 180 | -51.8 | 159.7 | -176.1 | 172.3 | 0 | 110.1 | | |
| 499 | G | 28.2 | Very low | 27.6 | Very low | 67 Ų | 67 | 139.4 Ų | 139.4 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | -175.6 | 94.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S501 | G499-S501 PolarHBondContact O-N 2.93Š|
| 500 | I | 28.8 | Very low | 27.8 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | | | trans | 15.8 | 98.5 | 133.8 | -55.9 | 164.2 | 0 | 0 | 0 | 113.6 | | |
| 501 | S | 25.9 | Very low | 27.7 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | | | | 83.8 | 153.2 | 77.5 | -170.1 | 0 | 0 | 0 | 0 | 114.3 | G499 | G499-S501 PolarHBondContact O-N 2.93Š|
| 502 | N | 28.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | | | trans | 72.4 | 151.4 | 162.5 | -76.7 | -14.1 | 0 | 0 | 0 | 117.3 | | |
| 503 | C | 27.4 | Very low | 27.6 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | cis | -160.4 | 177.1 | 5.2 | -133.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 504 | L | 31.1 | Very low | 27.8 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 60% | 0.602 | 71% | 0.706 | S | S | * | * | | | trans | 72.5 | 141.3 | 148.7 | -103.7 | 50.7 | 0 | 0 | 0 | 117.9 | | |
| 505 | F | 28.9 | Very low | 27.8 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | | | cis | -115.4 | 145.9 | -0.8 | -84.8 | -106.2 | 0 | 0 | 0 | 109.8 | | |
| 506 | K | 27.3 | Very low | 27.8 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 61% | 0.609 | 70% | 0.702 | S | S | * | * | | | cis | 75.1 | 131 | 41 | -165.6 | -173.9 | -178.3 | -178.7 | 0 | 110.9 | | |
| 507 | H | 29.7 | Very low | 27.7 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | | | cis | -136.6 | -149.6 | 8.7 | -131.5 | -169.5 | 0 | 0 | 0 | 106.7 | | |
| 508 | E | 24.1 | Very low | 27.8 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 57% | 0.57 | 70% | 0.703 | S | S | * | * | | | cis | -162.5 | 162.5 | -9.5 | -105.3 | -127 | 176.9 | 0 | 0 | 104.6 | | |
| 509 | R | 25.1 | Very low | 27.6 | Very low | 182 Ų | 182 | 131.7 Ų | 131.7 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | | | cis | -160.4 | 171.5 | -2.8 | -153.4 | -170 | -175.3 | 93.3 | -1 | 108.2 | | |
| 510 | S | 30.7 | Very low | 28 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 70% | 0.697 | S | S | * | * | | | trans | 69.3 | 151.5 | 147.9 | -67.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 511 | Q | 28 | Very low | 28 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | | | cis | -169.7 | 167.3 | -34.9 | -134.8 | 173.6 | -5.3 | 0 | 0 | 109.4 | | |
| 512 | F | 30.2 | Very low | 27.9 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | | | trans | 67.5 | 127.5 | 175 | -66 | -72.4 | 0 | 0 | 0 | 114.9 | | |
| 513 | Q | 24.1 | Very low | 27.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | | | cis | 67.3 | 108.2 | 27.1 | -151.3 | -177.5 | 37.3 | 0 | 0 | 111.8 | | |
| 514 | A | 28.3 | Very low | 27.7 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | | | | -138 | 161.7 | 54.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 515 | H | 24.5 | Very low | 27.4 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | | | cis | 53.7 | 123.8 | 49.7 | -48 | -42.8 | 0 | 0 | 0 | 110.9 | | |
| 516 | V | 27.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 80% | 0.8 | 71% | 0.712 | S | S | * | * | | | cis | -125.6 | 124.4 | 47.6 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 517 | A | 25.3 | Very low | 26.9 | Very low | 78 Ų | 78 | 140 Ų | 140 | 65% | 0.645 | 72% | 0.721 | S | S | * | * | | | | 55.1 | 140.6 | 88.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 518 | L | 28.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | | | cis | -143 | 142 | 36.6 | -88.7 | 159.1 | 0 | 0 | 0 | 114.4 | | |
| 519 | Q | 26.4 | Very low | 26.7 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -78.3 | 168.8 | 141.3 | -110.7 | -164.1 | 10.7 | 0 | 0 | 108.9 | | |
| 520 | P | 36.5 | Very low | 26.7 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | | | cis | -132.6 | -155.3 | -21 | 39.4 | -21 | 0 | 0 | 0 | 110.4 | | |
| 521 | Q | 29.4 | Very low | 26.9 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | 4 | 116.5 | 152.8 | -64.7 | 177.6 | -8.2 | 0 | 0 | 118.5 | | |
| 522 | S | 23.4 | Very low | 26.8 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | | -134.4 | 140.9 | 126.4 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 523 | F | 27.5 | Very low | 26.9 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | | | trans | -74.4 | 159.1 | 174.1 | -100.1 | -102.8 | 0 | 0 | 0 | 110.6 | | |
| 524 | S | 25.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | trans | 82.4 | 126.5 | 140 | -79.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 525 | F | 24 | Very low | 27.3 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | | | | 88.5 | 132.5 | 129.5 | -79.3 | -50.1 | 0 | 0 | 0 | 121.7 | | |
| 526 | H | 23.7 | Very low | 27.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | 67 | 154.8 | 167.8 | -52 | -53.3 | 0 | 0 | 0 | 114.7 | | |
| 527 | Q | 22.3 | Very low | 27.6 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | | | cis | -112.7 | 143.4 | 11.8 | -87.3 | -174.8 | -7.9 | 0 | 0 | 112.2 | | |
| 528 | T | 22.3 | Very low | 27.8 | Very low | 80 Ų | 80 | 144 Ų | 144 | 49% | 0.491 | 74% | 0.736 | S | S | . | * | | | | 47.6 | 129.7 | 83 | 79 | 0 | 0 | 0 | 0 | 112.4 | | |
| 529 | N | 27.2 | Very low | 27.8 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 73% | 0.733 | S | S | * | * | | | | -124.3 | 114.1 | 65 | -73 | -31.5 | 0 | 0 | 0 | 115.6 | | |
| 530 | S | 24.6 | Very low | 27.6 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 49% | 0.49 | 73% | 0.73 | S | S | . | * | | | trans | -55.1 | 150.5 | 131.9 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | T532 | S530-T532 PolarHBondContact O-N 3.39Å; S530-T532 VanDerWaalsContact O-N 3.12Å |
| 531 | M | 34.6 | Very low | 28 | Very low | 197 Ų | 197 | 142 Ų | 142 | 97% | 0.97 | 74% | 0.736 | S | S | * | * | | | trans | -64.4 | 110.5 | 161.9 | -79.8 | -173.8 | 173.7 | 0 | 0 | 109.7 | | |
| 532 | T | 27.2 | Very low | 27.9 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | | | trans | -140.9 | 112.4 | 162.1 | 43.7 | 0 | 0 | 0 | 0 | 109.8 | S530 | S530-T532 PolarHBondContact O-N 3.39Å; S530-T532 VanDerWaalsContact O-N 3.12Å |
| 533 | K | 30.8 | Very low | 29.1 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | | | trans | -94.2 | 157.2 | 161.9 | -168.5 | -166.7 | 175.4 | -167.3 | 0 | 107.9 | | |
| 534 | T | 33 | Very low | 28.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | | | trans | 76.2 | 95.3 | 160.2 | 9.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 535 | E | 28.4 | Very low | 29 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | | 63.8 | 119.9 | 120.6 | -67.6 | -176.5 | 82.5 | 0 | 0 | 124 | | |
| 536 | Q | 29.2 | Very low | 29.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | trans | 66.9 | 132.3 | 134.8 | -57.1 | -164.5 | 42.6 | 0 | 0 | 122.8 | | |
| 537 | H | 29.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | | | trans | 25.5 | 139.1 | 147.5 | -69 | 105.9 | 0 | 0 | 0 | 120.4 | | |
| 538 | Q | 28.9 | Very low | 29.7 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | | | cis | -170.4 | 149.9 | 47.9 | -162.6 | 138.7 | 61.7 | 0 | 0 | 114.2 | | |
| 539 | Q | 29.5 | Very low | 30.2 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | | | trans | 54.1 | 135.9 | 151.2 | -75.1 | 163.7 | 2.6 | 0 | 0 | 124.9 | | |
| 540 | S | 22.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | | | trans | -72.8 | -174.7 | 167.4 | 56.4 | 0 | 0 | 0 | 0 | 115 | | |
| 541 | P | 45.5 | Very low | 30.3 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | cis | -137.1 | -160.1 | 2.8 | 33.6 | -8.2 | 0 | 0 | 0 | 116 | | |
| 542 | S | 26.5 | Very low | 30 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -74.7 | -171.9 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 543 | P | 48.1 | Very low | 30.2 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | cis | -146.7 | -157.6 | 10.7 | 43.1 | -19.7 | 0 | 0 | 0 | 117 | | |
| 544 | S | 23.9 | Very low | 30 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | 73.1 | 167.7 | 151.2 | 87 | 0 | 0 | 0 | 0 | 119.3 | | |
| 545 | Q | 28.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | cis | -162.7 | 160.8 | -8.4 | -138.5 | -179.9 | 6.6 | 0 | 0 | 111.9 | | |
| 546 | N | 29.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | trans | 59.8 | 176.8 | 150.4 | -69.3 | -17.9 | 0 | 0 | 0 | 120.5 | | |
| 547 | Q | 27.8 | Very low | 30 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | cis | -167.9 | 166.6 | -49.1 | -167.7 | 179.2 | 35 | 0 | 0 | 109.5 | | |
| 548 | A | 27.9 | Very low | 29.9 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | 90.2 | 167 | 156.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 549 | H | 32.5 | Very low | 29.9 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -131.7 | 175 | -162.5 | -70.8 | -102.4 | 0 | 0 | 0 | 112.6 | | |
| 550 | S | 27.6 | Very low | 29.9 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | 80.5 | 150.3 | 162.2 | -56.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 551 | A | 26.8 | Very low | 30.4 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | | | cis | -169.5 | -176.9 | -18.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 552 | L | 27.6 | Very low | 29.8 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | 78.1 | 106.7 | 160.2 | -53.1 | -178.7 | 0 | 0 | 0 | 120.9 | | |
| 553 | H | 30.5 | Very low | 30.1 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 30.3 | 162.9 | 114.7 | -150.8 | -99.5 | 0 | 0 | 0 | 123.4 | | |
| 554 | F | 27.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 74% | 0.737 | 77% | 0.77 | S | S | * | * | | | trans | 80.8 | 163.7 | 177.4 | -67.2 | -94.9 | 0 | 0 | 0 | 117 | | |
| 555 | Q | 26.1 | Very low | 29.6 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | | | cis | -171.5 | 132 | -47.9 | 176.3 | 163.8 | -42.1 | 0 | 0 | 109.9 | | |
| 556 | N | 31.4 | Very low | 29.5 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -7.8 | 118.4 | 158.6 | -176.7 | 11.3 | 0 | 0 | 0 | 119.5 | | |
| 557 | Q | 32.2 | Very low | 29.5 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | | 168.7 | 141.3 | 120.9 | -95.2 | -173.2 | 109.4 | 0 | 0 | 115.5 | | |
| 558 | Q | 28 | Very low | 29.7 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -177.8 | 112.3 | 146.3 | -102.6 | 165.1 | 7.8 | 0 | 0 | 107 | | |
| 559 | I | 28.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | | 101.5 | 140.4 | 64.3 | -78.3 | 169.2 | 0 | 0 | 0 | 112.2 | | |
| 560 | S | 29.5 | Very low | 29.6 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -54.9 | 169.6 | -170.5 | -38.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 561 | T | 34.1 | Very low | 29.5 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | -140.2 | -158.3 | 19.9 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 562 | S | 32.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | cis | -163.1 | 150.3 | -4.3 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 563 | G | 32.8 | Very low | 30.1 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | 78.2 | 108.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 564 | G | 29.5 | Very low | 30.3 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 165.8 | 119.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 565 | V | 31.3 | Very low | 30.7 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -129.2 | 126.3 | -165.1 | 177.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 566 | C | 26.3 | Very low | 31.7 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | | | | -177.3 | 123.7 | 126.2 | -109.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 567 | L | 29.1 | Very low | 32 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | 50.3 | 110.2 | 138.5 | -58.4 | 175.7 | 0 | 0 | 0 | 121.6 | | |
| 568 | Q | 32 | Very low | 32.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | | | trans | -91.7 | 146 | 141.7 | -169.7 | -163.2 | 77.5 | 0 | 0 | 109.2 | | |
| 569 | P | 31.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -94.9 | 141 | 155.5 | -2.5 | 22.4 | 0 | 0 | 0 | 111.2 | | |
| 570 | K | 26.2 | Very low | 32.7 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 82% | 0.823 | S | S | * | * | | | trans | -136.9 | 116.3 | -164.3 | -177.9 | -179.1 | 179.5 | 179.9 | 0 | 113.4 | | |
| 571 | S | 26.9 | Very low | 33.1 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | | | trans | -171.3 | 152.7 | 163 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 572 | V | 29.7 | Very low | 33.6 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 83% | 0.827 | S | S | * | * | | | cis | -149.7 | 157 | -23 | 132.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 573 | S | 37 | Very low | 34.2 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -64 | 135.1 | -179 | -50.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 574 | A | 34.4 | Very low | 34.9 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | | | trans | -178.4 | 147.1 | 132.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 575 | G | 35.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | | | trans | 121.9 | 122.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 576 | L | 47 | Very low | 36.3 | Very low | 176 Ų | 176 | 151.2 Ų | 151.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 132.1 | 169.6 | -68.3 | 163.8 | 0 | 0 | 0 | 110.6 | | |
| 577 | P | 38.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 121.6 | 163.5 | 33 | -27.7 | 0 | 0 | 0 | 111.6 | R579 | P577-R579 PolarHBondContact O-N 3.15Š|
| 578 | F | 33.3 | Very low | 38.5 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 93% | 0.934 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 130.3 | 167.2 | -108.1 | -109.8 | 0 | 0 | 0 | 110.5 | M580 | F578-M580 PolarHBondContact O-N 3.06Å; F578-M580 VanDerWaalsContact O-N 3.15Å |
| 579 | R | 33.6 | Very low | 39.5 | Very low | 247 Ų | 247 | 151.3 Ų | 151.3 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -86.1 | 85.1 | 180 | -161.5 | -177.8 | -157.9 | -115.7 | 6 | 111.6 | P577 | P577-R579 PolarHBondContact O-N 3.15Š|
| 580 | M | 36.4 | Very low | 40.8 | Very low | 177 Ų | 177 | 150.2 Ų | 150.2 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -62.1 | 133.3 | 172.3 | -156.1 | 68.4 | 172.5 | 0 | 0 | 110.7 | F578 Q582 | F578-M580 PolarHBondContact O-N 3.06Å; F578-M580 VanDerWaalsContact O-N 3.15Å; M580-Q582 PolarHBondContact O-N 2.87Å |
| 581 | S | 36.7 | Very low | 42.8 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -81.4 | 99.5 | -171 | 47.5 | 0 | 0 | 0 | 0 | 113.3 | Q583 | S581-Q583 PolarHBondContact O-N 2.87Š|
| 582 | Q | 45.3 | Very low | 44.7 | Very low | 193 Ų | 193 | 145.1 Ų | 145.1 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -73.1 | 84.6 | 172.3 | -171.5 | -170.6 | 86.6 | 0 | 0 | 111.2 | M580 | M580-Q582 PolarHBondContact O-N 2.87Š|
| 583 | Q | 44.2 | Very low | 46.7 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | -133.3 | 42 | 177.3 | -153.6 | -174.6 | 23.8 | 0 | 0 | 113.3 | S581 | S581-Q583 PolarHBondContact O-N 2.87Š|
| 584 | Q | 47.2 | Very low | 48.5 | Very low | 192 Ų | 192 | 148 Ų | 148 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | | | trans | -139.1 | 37.7 | -169.2 | -145.6 | 169 | 75 | 0 | 0 | 115.8 | | |
| 585 | Q | 44.3 | Very low | 50.5 | Low | 166 Ų | 166 | 146.7 Ų | 146.7 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -124.9 | -14.5 | 172.5 | -82.7 | -173.1 | -17.8 | 0 | 0 | 116.6 | P588 | Q585-P588 VanDerWaalsContact O-CD 3.26Å; Q585-P588 WeakPolarHBondContact O-CD 3.49Å |
| 586 | V | 46.4 | Very low | 52.5 | Low | 121 Ų | 121 | 150 Ų | 150 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -86.9 | -19.4 | -173.9 | -171.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 587 | R | 48.6 | Very low | 54.1 | Low | 239 Ų | 239 | 146.6 Ų | 146.6 | 90% | 0.902 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -66 | -26.8 | -175.3 | -80.7 | -167.6 | 175.4 | -153.7 | -1 | 118.4 | | |
| 588 | P | 52.5 | Low | 55.9 | Low | 75 Ų | 75 | 143.9 Ų | 143.9 | 49% | 0.487 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -73.1 | -33.1 | -175.5 | 27.9 | -32.6 | 0 | 0 | 0 | 113.3 | Q585 V590 G591 Y592 | Q585-P588 VanDerWaalsContact O-CD 3.26Å; Q585-P588 WeakPolarHBondContact O-CD 3.49Å; P588-V590 PolarHBondContact O-N 3.06Å; P588-G591 PolarHBondContact O-N 2.8Å; P588-Y592 HydrophobicContact CB-CE2 4.37Å; P588-Y592 WeakPolarHBondContact O-CD2 3.27Å; P588-Y592 PolarHBondContact O-N 3.23Å |
| 589 | L | 53.1 | Low | 58.2 | Low | 105 Ų | 105 | 137.7 Ų | 137.7 | 55% | 0.55 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.6 | -43.1 | -173.7 | -80.3 | 164.2 | 0 | 0 | 0 | 113.1 | G591 Y592 Y593 | L589-G591 VanDerWaalsContact C-N 3.26Å; L589-G591 PolarHBondContact O-N 2.97Å; L589-Y592 PolarHBondContact O-N 3.03Å; L589-Y592 VanDerWaalsContact O-N 3.14Å; L589-Y593 HydrophobicContact CD2-CE2 4.43Å; L589-Y593 VanDerWaalsContact O-CD2 3.28Å; L589-Y593 WeakPolarHBondContact O-CD2 3.27Å; L589-Y593 PolarHBondContact O-N 3.39Å; L589-Y593 VanDerWaalsContact O-N 3.1Å |
| 590 | V | 60.7 | Low | 60.4 | Low | 102 Ų | 102 | 131 Ų | 131 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.4 | -37.7 | -178.6 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | P588 Y593 F594 | P588-V590 PolarHBondContact O-N 3.06Å; V590-Y593 PolarHBondContact O-N 3.03Å; V590-F594 PolarHBondContact O-N 3.36Å; V590-F594 VanDerWaalsContact O-N 3.14Å |
| 591 | G | 66.5 | Low | 62.6 | Low | 41 Ų | 41 | 128.3 Ų | 128.3 | 42% | 0.423 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.9 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P588 L589 F594 L595 | P588-G591 PolarHBondContact O-N 2.8Å; L589-G591 VanDerWaalsContact C-N 3.26Å; L589-G591 PolarHBondContact O-N 2.97Å; G591-F594 PolarHBondContact O-N 3.02Å; G591-L595 PolarHBondContact O-N 3.19Å; G591-L595 VanDerWaalsContact O-N 3.07Å |
| 592 | Y | 68 | Low | 64.6 | Low | 153 Ų | 153 | 129.4 Ų | 129.4 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.5 | -41.6 | 177.1 | -70.6 | -66.6 | 0 | 0 | 0 | 112.7 | P588 L589 F594 L595 F596 | P588-Y592 HydrophobicContact CB-CE2 4.37Å; P588-Y592 WeakPolarHBondContact O-CD2 3.27Å; P588-Y592 PolarHBondContact O-N 3.23Å; L589-Y592 PolarHBondContact O-N 3.03Å; L589-Y592 VanDerWaalsContact O-N 3.14Å; Y592-F594 VanDerWaalsContact C-N 3.35Å; Y592-F594 PolarHBondContact O-N 3.3Å; Y592-L595 PolarHBondContact O-N 3.47Å; Y592-F596 WeakPolarHBondContact O-CD2 3.39Å; Y592-F596 PolarHBondContact O-N 3.27Å |
| 593 | Y | 71.5 | Confident | 66.4 | Low | 168 Ų | 168 | 127.2 Ų | 127.2 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.6 | -41.5 | 175.9 | -80.1 | -71.1 | 0 | 0 | 0 | 112.4 | L589 V590 F596 E597 | L589-Y593 HydrophobicContact CD2-CE2 4.43Å; L589-Y593 VanDerWaalsContact O-CD2 3.28Å; L589-Y593 WeakPolarHBondContact O-CD2 3.27Å; L589-Y593 PolarHBondContact O-N 3.39Å; L589-Y593 VanDerWaalsContact O-N 3.1Å; V590-Y593 PolarHBondContact O-N 3.03Å; Y593-F596 PolarHBondContact O-N 3.08Å; Y593-E597 PolarHBondContact O-N 3.48Å |
| 594 | F | 74.1 | Confident | 68.2 | Low | 149 Ų | 149 | 124.7 Ų | 124.7 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.4 | -41.5 | 176.4 | -167.9 | -115.9 | 0 | 0 | 0 | 112.1 | V590 G591 Y592 E597 I598 | V590-F594 PolarHBondContact O-N 3.36Å; V590-F594 VanDerWaalsContact O-N 3.14Å; G591-F594 PolarHBondContact O-N 3.02Å; Y592-F594 VanDerWaalsContact C-N 3.35Å; Y592-F594 PolarHBondContact O-N 3.3Å; F594-E597 PolarHBondContact O-N 2.84Å; F594-I598 HydrophobicContact CD1-CD1 3.73Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CG-CD1 4.38Å; F594-I598 HydrophobicContact CZ-CD1 4.02Å; F594-I598 WeakPolarHBondContact O-CG1 3.49Å; F594-I598 PolarHBondContact O-N 2.87Å |
| 595 | L | 77.5 | Confident | 69.7 | Low | 79 Ų | 79 | 121.1 Ų | 121.1 | 41% | 0.414 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -40.6 | 173.5 | -111 | 154.7 | 0 | 0 | 0 | 112.7 | G591 Y592 I598 I599 | G591-L595 PolarHBondContact O-N 3.19Å; G591-L595 VanDerWaalsContact O-N 3.07Å; Y592-L595 PolarHBondContact O-N 3.47Å; L595-I598 PolarHBondContact O-N 3.49Å; L595-I599 HydrophobicContact CD2-CD1 4.15Å; L595-I599 WeakPolarHBondContact O-CB 3.42Å; L595-I599 WeakPolarHBondContact O-CD1 3.32Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.49Å; L595-I599 PolarHBondContact O-N 3.24Å |
| 596 | F | 77.2 | Confident | 71.3 | Confident | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.632 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 176.8 | -98.7 | -78.6 | 0 | 0 | 0 | 112.7 | Y592 Y593 I599 K600 | Y592-F596 WeakPolarHBondContact O-CD2 3.39Å; Y592-F596 PolarHBondContact O-N 3.27Å; Y593-F596 PolarHBondContact O-N 3.08Å; F596-I599 PolarHBondContact O-N 2.87Å; F596-K600 VanDerWaalsContact O-CB 3.28Å; F596-K600 WeakPolarHBondContact O-CB 3.33Å; F596-K600 PolarHBondContact O-N 3.21Å |
| 597 | E | 80.6 | Confident | 73 | Confident | 103 Ų | 103 | 112.9 Ų | 112.9 | 48% | 0.481 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 176.3 | -75.7 | -62 | 146.6 | 0 | 0 | 112.5 | Y593 F594 K600 F601 | Y593-E597 PolarHBondContact O-N 3.48Å; F594-E597 PolarHBondContact O-N 2.84Å; E597-K600 PolarHBondContact O-N 3.02Å; E597-K600 IonicContact OE1-NZ 2.93Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 3.12Å; E597-K600 PolarHBondContact OE2-NZ 3.34Å; E597-F601 WeakPolarHBondContact O-CB 3.5Å; E597-F601 PolarHBondContact O-N 3.21Å |
| 598 | I | 76.4 | Confident | 74.5 | Confident | 64 Ų | 64 | 104.8 Ų | 104.8 | 33% | 0.328 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 170.7 | -73.1 | 169.6 | 0 | 0 | 0 | 111.1 | F594 L595 K600 F601 F602 | F594-I598 HydrophobicContact CD1-CD1 3.73Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CG-CD1 4.38Å; F594-I598 HydrophobicContact CZ-CD1 4.02Å; F594-I598 WeakPolarHBondContact O-CG1 3.49Å; F594-I598 PolarHBondContact O-N 2.87Å; L595-I598 PolarHBondContact O-N 3.49Å; I598-K600 VanDerWaalsContact C-N 3.3Å; I598-K600 PolarHBondContact O-N 2.84Å; I598-F601 PolarHBondContact O-N 3.13Å; I598-F602 HydrophobicContact CG2-CD2 3.72Å; I598-F602 HydrophobicContact CG2-CE2 3.75Å; I598-F602 WeakPolarHBondContact O-CD2 3.41Å; I598-F602 PolarHBondContact O-N 3.39Å |
| 599 | I | 81.2 | Confident | 75.9 | Confident | 84 Ų | 84 | 105.5 Ų | 105.5 | 43% | 0.431 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.5 | -70.6 | 164.5 | 0 | 0 | 0 | 111 | L595 F596 K603 | L595-I599 HydrophobicContact CD2-CD1 4.15Å; L595-I599 WeakPolarHBondContact O-CB 3.42Å; L595-I599 WeakPolarHBondContact O-CD1 3.32Å; L595-I599 VanDerWaalsContact O-CG1 3.25Å; L595-I599 WeakPolarHBondContact O-CG1 3.49Å; L595-I599 PolarHBondContact O-N 3.24Å; F596-I599 PolarHBondContact O-N 2.87Å; I599-K603 VanDerWaalsContact O-CB 3.31Å; I599-K603 WeakPolarHBondContact O-CB 3.35Å; I599-K603 PolarHBondContact O-N 3.13Å |
| 600 | K | 79.6 | Confident | 77 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.4 | 175.3 | 172.6 | 154.1 | -125.6 | 0 | 111.7 | F596 E597 I598 K603 E604 | F596-K600 VanDerWaalsContact O-CB 3.28Å; F596-K600 WeakPolarHBondContact O-CB 3.33Å; F596-K600 PolarHBondContact O-N 3.21Å; E597-K600 PolarHBondContact O-N 3.02Å; E597-K600 IonicContact OE1-NZ 2.93Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 3.12Å; E597-K600 PolarHBondContact OE2-NZ 3.34Å; I598-K600 VanDerWaalsContact C-N 3.3Å; I598-K600 PolarHBondContact O-N 2.84Å; K600-K603 PolarHBondContact O-N 2.99Å; K600-E604 WeakPolarHBondContact O-CB 3.32Å; K600-E604 PolarHBondContact O-N 2.91Å |
| 601 | F | 82.8 | Confident | 78.1 | Confident | 122 Ų | 122 | 106.7 Ų | 106.7 | 54% | 0.535 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.7 | 177.5 | -100.7 | 0 | 0 | 0 | 112.4 | E597 I598 K603 E604 K605 | E597-F601 WeakPolarHBondContact O-CB 3.5Å; E597-F601 PolarHBondContact O-N 3.21Å; I598-F601 PolarHBondContact O-N 3.13Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 3.36Å; F601-E604 PolarHBondContact O-N 3.28Å; F601-K605 HydrophobicContact CE1-CD 4.34Å; F601-K605 HydrophobicContact CZ-CD 4.45Å; F601-K605 WeakPolarHBondContact O-CB 3.35Å; F601-K605 PolarHBondContact O-N 2.8Å |
| 602 | F | 79.7 | Confident | 78.8 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 175.9 | -84.2 | -68.2 | 0 | 0 | 0 | 112.7 | I598 S606 | I598-F602 HydrophobicContact CG2-CD2 3.72Å; I598-F602 HydrophobicContact CG2-CE2 3.75Å; I598-F602 WeakPolarHBondContact O-CD2 3.41Å; I598-F602 PolarHBondContact O-N 3.39Å; F602-S606 WeakPolarHBondContact O-CB 3.2Å; F602-S606 PolarHBondContact O-N 3.35Å; F602-S606 PolarHBondContact O-OG 3.05Å |
| 603 | K | 82.6 | Confident | 79.5 | Confident | 146 Ų | 146 | 105.5 Ų | 105.5 | 64% | 0.635 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.9 | -36.1 | 176.2 | -172.7 | 174 | -177.9 | 178.1 | 0 | 112.7 | I599 K600 F601 S606 V607 | I599-K603 VanDerWaalsContact O-CB 3.31Å; I599-K603 WeakPolarHBondContact O-CB 3.35Å; I599-K603 PolarHBondContact O-N 3.13Å; K600-K603 PolarHBondContact O-N 2.99Å; F601-K603 VanDerWaalsContact C-N 3.34Å; F601-K603 PolarHBondContact O-N 3.36Å; K603-S606 PolarHBondContact O-OG 2.88Å; K603-S606 VanDerWaalsContact O-OG 3.06Å; K603-V607 WeakPolarHBondContact O-CB 3.46Å; K603-V607 VanDerWaalsContact O-CG2 3.27Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.19Å; K603-V607 VanDerWaalsContact O-N 3.15Å |
| 604 | E | 82.8 | Confident | 80 | Confident | 132 Ų | 132 | 102.9 Ų | 102.9 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.8 | -42.6 | 174.8 | -175.2 | 161 | -161.7 | 0 | 0 | 111.3 | K600 F601 V607 S608 | K600-E604 WeakPolarHBondContact O-CB 3.32Å; K600-E604 PolarHBondContact O-N 2.91Å; F601-E604 PolarHBondContact O-N 3.28Å; E604-V607 PolarHBondContact O-N 3.43Å; E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.48Å |
| 605 | K | 77.6 | Confident | 80.6 | Confident | 117 Ų | 117 | 98.1 Ų | 98.1 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.8 | -164.5 | 172.7 | -174.9 | 178.9 | 0 | 112.1 | F601 S608 I609 | F601-K605 HydrophobicContact CE1-CD 4.34Å; F601-K605 HydrophobicContact CZ-CD 4.45Å; F601-K605 WeakPolarHBondContact O-CB 3.35Å; F601-K605 PolarHBondContact O-N 2.8Å; K605-S608 WeakPolarHBondContact O-CB 3.44Å; K605-S608 PolarHBondContact O-N 2.82Å; K605-I609 HydrophobicContact CG-CD1 4.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.42Å; K605-I609 PolarHBondContact O-N 3.4Å |
| 606 | S | 78 | Confident | 81 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | F602 K603 S608 I609 D610 | F602-S606 WeakPolarHBondContact O-CB 3.2Å; F602-S606 PolarHBondContact O-N 3.35Å; F602-S606 PolarHBondContact O-OG 3.05Å; K603-S606 PolarHBondContact O-OG 2.88Å; K603-S606 VanDerWaalsContact O-OG 3.06Å; S606-S608 PolarHBondContact O-N 3.49Å; S606-I609 PolarHBondContact O-N 3.05Å; S606-D610 WeakPolarHBondContact O-CB 3.31Å; S606-D610 PolarHBondContact O-N 3.06Å |
| 607 | V | 82.7 | Confident | 81.3 | Confident | 56 Ų | 56 | 96.9 Ų | 96.9 | 34% | 0.339 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.9 | -33.5 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 112.3 | K603 E604 D610 R611 | K603-V607 WeakPolarHBondContact O-CB 3.46Å; K603-V607 VanDerWaalsContact O-CG2 3.27Å; K603-V607 WeakPolarHBondContact O-CG2 3.28Å; K603-V607 PolarHBondContact O-N 3.19Å; K603-V607 VanDerWaalsContact O-N 3.15Å; E604-V607 PolarHBondContact O-N 3.43Å; V607-D610 PolarHBondContact O-N 2.87Å; V607-R611 VanDerWaalsContact O-CG 3.31Å; V607-R611 WeakPolarHBondContact O-CG 3.47Å; V607-R611 PolarHBondContact O-N 3.28Å |
| 608 | S | 79.1 | Confident | 81.6 | Confident | 69 Ų | 69 | 96.5 Ų | 96.5 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -47.4 | 174.3 | -165.9 | 0 | 0 | 0 | 0 | 112.3 | E604 K605 S606 D610 R611 N612 | E604-S608 WeakPolarHBondContact O-CB 3.49Å; E604-S608 PolarHBondContact O-N 3.48Å; K605-S608 WeakPolarHBondContact O-CB 3.44Å; K605-S608 PolarHBondContact O-N 2.82Å; S606-S608 PolarHBondContact O-N 3.49Å; S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.13Å; S608-R611 WeakPolarHBondContact O-CB 3.38Å; S608-R611 PolarHBondContact O-N 3.07Å; S608-R611 VanDerWaalsContact O-N 3.13Å; S608-N612 PolarHBondContact O-N 3.17Å |
| 609 | I | 81.3 | Confident | 82.2 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 173.5 | -68.1 | 162.4 | 0 | 0 | 0 | 110.3 | K605 S606 R611 N612 N613 | K605-I609 HydrophobicContact CG-CD1 4.3Å; K605-I609 WeakPolarHBondContact O-CG1 3.42Å; K605-I609 PolarHBondContact O-N 3.4Å; S606-I609 PolarHBondContact O-N 3.05Å; I609-R611 VanDerWaalsContact C-N 3.29Å; I609-R611 PolarHBondContact O-N 3.03Å; I609-N612 PolarHBondContact O-N 3.1Å; I609-N613 WeakPolarHBondContact O-CB 3.39Å; I609-N613 VanDerWaalsContact O-CG 3.31Å; I609-N613 PolarHBondContact O-N 3.09Å |
| 610 | D | 77.3 | Confident | 82.2 | Confident | 66 Ų | 66 | 102.2 Ų | 102.2 | 35% | 0.353 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.4 | -26.1 | 179 | -129.1 | 27.3 | 0 | 0 | 0 | 113.7 | S606 V607 S608 R614 | S606-D610 WeakPolarHBondContact O-CB 3.31Å; S606-D610 PolarHBondContact O-N 3.06Å; V607-D610 PolarHBondContact O-N 2.87Å; S608-D610 VanDerWaalsContact C-N 3.26Å; S608-D610 PolarHBondContact O-N 3.13Å; D610-R614 VanDerWaalsContact CB-NH2 3.28Å; D610-R614 PolarHBondContact O-N 2.77Å; D610-R614 PolarHBondContact O-NE 3.39Å; D610-R614 PolarHBondContact O-NH2 2.9Å; D610-R614 IonicContact OD2-CZ 3.75Å; D610-R614 IonicContact OD2-NH2 3.56Å; D610-R614 PolarHBondContact OD2-NH2 2.85Å |
| 611 | R | 83.3 | Confident | 82.5 | Confident | 166 Ų | 166 | 102.9 Ų | 102.9 | 63% | 0.626 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -77.8 | -44.3 | 170.9 | -72.9 | 167.4 | -175.1 | 158.7 | 1.4 | 110.8 | V607 S608 I609 N613 R614 S615 | V607-R611 VanDerWaalsContact O-CG 3.31Å; V607-R611 WeakPolarHBondContact O-CG 3.47Å; V607-R611 PolarHBondContact O-N 3.28Å; S608-R611 WeakPolarHBondContact O-CB 3.38Å; S608-R611 PolarHBondContact O-N 3.07Å; S608-R611 VanDerWaalsContact O-N 3.13Å; I609-R611 VanDerWaalsContact C-N 3.29Å; I609-R611 PolarHBondContact O-N 3.03Å; R611-N613 PolarHBondContact O-N 2.87Å; R611-R614 WeakPolarHBondContact O-CB 3.39Å; R611-R614 PolarHBondContact O-N 3.43Å; R611-R614 VanDerWaalsContact O-N 3.09Å; R611-S615 PolarHBondContact O-N 3.25Å |
| 612 | N | 82.6 | Confident | 82.8 | Confident | 94 Ų | 94 | 101.7 Ų | 101.7 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 176.6 | -165.6 | 35.9 | 0 | 0 | 0 | 111.3 | S608 I609 R614 S615 I616 | S608-N612 PolarHBondContact O-N 3.17Å; I609-N612 PolarHBondContact O-N 3.1Å; N612-R614 PolarHBondContact O-N 2.92Å; N612-S615 PolarHBondContact O-N 3.43Å; N612-S615 VanDerWaalsContact O-N 3.13Å; N612-I616 WeakPolarHBondContact O-CG1 3.47Å; N612-I616 PolarHBondContact O-N 2.96Å |
| 613 | N | 82.3 | Confident | 83.2 | Confident | 74 Ų | 74 | 100.9 Ų | 100.9 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -13.5 | 175.7 | -70.2 | -12.5 | 0 | 0 | 0 | 113.9 | I609 R611 R617 | I609-N613 WeakPolarHBondContact O-CB 3.39Å; I609-N613 VanDerWaalsContact O-CG 3.31Å; I609-N613 PolarHBondContact O-N 3.09Å; R611-N613 PolarHBondContact O-N 2.87Å; N613-R617 PolarHBondContact O-NE 2.88Å; N613-R617 PolarHBondContact O-NH2 2.83Å |
| 614 | R | 82.6 | Confident | 83.3 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -81 | -56.6 | 163.2 | -93.3 | 169.9 | -82.3 | -119.5 | -7.8 | 110.1 | D610 R611 N612 I616 R617 D618 | D610-R614 VanDerWaalsContact CB-NH2 3.28Å; D610-R614 PolarHBondContact O-N 2.77Å; D610-R614 PolarHBondContact O-NE 3.39Å; D610-R614 PolarHBondContact O-NH2 2.9Å; D610-R614 IonicContact OD2-CZ 3.75Å; D610-R614 IonicContact OD2-NH2 3.56Å; D610-R614 PolarHBondContact OD2-NH2 2.85Å; R611-R614 WeakPolarHBondContact O-CB 3.39Å; R611-R614 PolarHBondContact O-N 3.43Å; R611-R614 VanDerWaalsContact O-N 3.09Å; N612-R614 PolarHBondContact O-N 2.92Å; R614-I616 VanDerWaalsContact C-N 3.25Å; R614-I616 PolarHBondContact O-N 3.5Å; R614-I616 VanDerWaalsContact O-N 3.1Å; R614-R617 CarbonylContact O-C 3.59Å; R614-R617 WeakPolarHBondContact O-CA 3.31Å; R614-R617 WeakPolarHBondContact O-CB 3.44Å; R614-R617 PolarHBondContact O-N 3.13Å; R614-D618 PolarHBondContact O-N 3.34Å; R614-D618 VanDerWaalsContact O-OD2 3.07Å |
| 615 | S | 85.3 | Confident | 83.5 | Confident | 49 Ų | 49 | 96.4 Ų | 96.4 | 34% | 0.343 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -52.6 | -38.8 | 179.8 | -171.2 | 0 | 0 | 0 | 0 | 113.9 | R611 N612 D618 K619 | R611-S615 PolarHBondContact O-N 3.25Å; N612-S615 PolarHBondContact O-N 3.43Å; N612-S615 VanDerWaalsContact O-N 3.13Å; S615-D618 PolarHBondContact O-N 3.14Å; S615-K619 WeakPolarHBondContact O-CB 3.19Å; S615-K619 VanDerWaalsContact O-CG 3.28Å; S615-K619 WeakPolarHBondContact O-CG 3.15Å; S615-K619 PolarHBondContact O-N 3.18Å |
| 616 | I | 85.3 | Confident | 83.8 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 47% | 0.472 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 175.3 | -67.6 | 164.9 | 0 | 0 | 0 | 111.9 | N612 R614 K620 | N612-I616 WeakPolarHBondContact O-CG1 3.47Å; N612-I616 PolarHBondContact O-N 2.96Å; R614-I616 VanDerWaalsContact C-N 3.25Å; R614-I616 PolarHBondContact O-N 3.5Å; R614-I616 VanDerWaalsContact O-N 3.1Å; I616-K620 VanDerWaalsContact O-CB 3.32Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 3.39Å |
| 617 | R | 84.4 | Confident | 84.2 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 174.8 | -78.8 | -177.7 | -72.1 | 165.5 | -5.9 | 111.6 | N613 R614 K620 L621 | N613-R617 PolarHBondContact O-NE 2.88Å; N613-R617 PolarHBondContact O-NH2 2.83Å; R614-R617 CarbonylContact O-C 3.59Å; R614-R617 WeakPolarHBondContact O-CA 3.31Å; R614-R617 WeakPolarHBondContact O-CB 3.44Å; R614-R617 PolarHBondContact O-N 3.13Å; R617-K620 WeakPolarHBondContact O-CB 3.31Å; R617-K620 PolarHBondContact O-N 2.65Å; R617-L621 WeakPolarHBondContact O-CG 3.42Å; R617-L621 PolarHBondContact O-N 3.36Å |
| 618 | D | 86.6 | Confident | 84.4 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | -179.8 | -55.4 | -34.8 | 0 | 0 | 0 | 110.3 | R614 S615 K620 L621 E622 | R614-D618 PolarHBondContact O-N 3.34Å; R614-D618 VanDerWaalsContact O-OD2 3.07Å; S615-D618 PolarHBondContact O-N 3.14Å; D618-K620 VanDerWaalsContact C-N 3.35Å; D618-K620 PolarHBondContact O-N 2.65Å; D618-L621 PolarHBondContact O-N 2.56Å; D618-E622 PolarHBondContact O-N 2.87Å |
| 619 | K | 88.6 | Confident | 84.7 | Confident | 125 Ų | 125 | 100.4 Ų | 100.4 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 170.7 | -73 | 174.2 | 178.5 | -178 | 0 | 112.9 | S615 L621 E622 I623 | S615-K619 WeakPolarHBondContact O-CB 3.19Å; S615-K619 VanDerWaalsContact O-CG 3.28Å; S615-K619 WeakPolarHBondContact O-CG 3.15Å; S615-K619 PolarHBondContact O-N 3.18Å; K619-L621 VanDerWaalsContact C-N 3.35Å; K619-E622 PolarHBondContact O-N 3.14Å; K619-I623 VanDerWaalsContact O-CG1 3.31Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 3.23Å |
| 620 | K | 82 | Confident | 85 | Confident | 144 Ų | 144 | 101.8 Ų | 101.8 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.6 | -37.3 | 175.9 | -173.5 | 175.4 | -179.1 | 178.3 | 0 | 112 | I616 R617 D618 Q624 | I616-K620 VanDerWaalsContact O-CB 3.32Å; I616-K620 WeakPolarHBondContact O-CB 3.42Å; I616-K620 PolarHBondContact O-N 3.39Å; R617-K620 WeakPolarHBondContact O-CB 3.31Å; R617-K620 PolarHBondContact O-N 2.65Å; D618-K620 VanDerWaalsContact C-N 3.35Å; D618-K620 PolarHBondContact O-N 2.65Å; K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 VanDerWaalsContact O-CG 3.27Å; K620-Q624 WeakPolarHBondContact O-CG 3.49Å; K620-Q624 PolarHBondContact O-N 3.39Å; K620-Q624 VanDerWaalsContact O-N 3.09Å |
| 621 | L | 86.4 | Confident | 85.4 | Confident | 118 Ų | 118 | 102 Ų | 102 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.4 | -38.8 | 173.5 | -70.2 | 170.9 | 0 | 0 | 0 | 111.7 | R617 D618 K619 Q624 L625 | R617-L621 WeakPolarHBondContact O-CG 3.42Å; R617-L621 PolarHBondContact O-N 3.36Å; D618-L621 PolarHBondContact O-N 2.56Å; K619-L621 VanDerWaalsContact C-N 3.35Å; L621-Q624 PolarHBondContact O-N 3.02Å; L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 PolarHBondContact O-N 3.33Å |
| 622 | E | 88.4 | Confident | 85.6 | Confident | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 174.9 | -166.1 | -163.8 | 149 | 0 | 0 | 112 | D618 K619 L625 K626 | D618-E622 PolarHBondContact O-N 2.87Å; K619-E622 PolarHBondContact O-N 3.14Å; E622-L625 PolarHBondContact O-N 2.89Å; E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.45Å; E622-K626 VanDerWaalsContact OE1-CE 3.22Å; E622-K626 WeakPolarHBondContact OE1-CE 3.22Å; E622-K626 IonicContact OE1-NZ 2.73Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å |
| 623 | I | 89.1 | Confident | 85.8 | Confident | 111 Ų | 111 | 95.1 Ų | 95.1 | 57% | 0.569 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 176.2 | -68.7 | 164.8 | 0 | 0 | 0 | 111 | K619 K626 L627 | K619-I623 VanDerWaalsContact O-CG1 3.31Å; K619-I623 WeakPolarHBondContact O-CG1 3.45Å; K619-I623 PolarHBondContact O-N 3.23Å; I623-K626 PolarHBondContact O-N 3.09Å; I623-L627 PolarHBondContact O-N 3.37Å |
| 624 | Q | 83 | Confident | 85.9 | Confident | 83 Ų | 83 | 96 Ų | 96 | 39% | 0.388 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 174.8 | -74.9 | -72.7 | -45.6 | 0 | 0 | 111.9 | K620 L621 K626 L627 I628 | K620-Q624 WeakPolarHBondContact O-CB 3.27Å; K620-Q624 VanDerWaalsContact O-CG 3.27Å; K620-Q624 WeakPolarHBondContact O-CG 3.49Å; K620-Q624 PolarHBondContact O-N 3.39Å; K620-Q624 VanDerWaalsContact O-N 3.09Å; L621-Q624 PolarHBondContact O-N 3.02Å; Q624-K626 PolarHBondContact O-N 2.97Å; Q624-L627 PolarHBondContact O-N 3.12Å; Q624-I628 WeakPolarHBondContact O-CB 3.41Å; Q624-I628 WeakPolarHBondContact O-CD1 3.23Å; Q624-I628 WeakPolarHBondContact O-CG1 3.49Å; Q624-I628 PolarHBondContact O-N 3Å |
| 625 | L | 87.2 | Confident | 86 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 178.1 | -174.6 | 62.2 | 0 | 0 | 0 | 112.1 | L621 E622 N629 | L621-L625 WeakPolarHBondContact O-CB 3.48Å; L621-L625 PolarHBondContact O-N 3.33Å; E622-L625 PolarHBondContact O-N 2.89Å; L625-N629 WeakPolarHBondContact O-CB 3.33Å; L625-N629 VanDerWaalsContact O-CG 3.23Å; L625-N629 PolarHBondContact O-N 2.88Å; L625-N629 PolarHBondContact O-ND2 3.21Å |
| 626 | K | 85.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 96.9 Ų | 96.9 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -50.4 | 173 | -73 | 175.4 | -173.6 | 173.3 | 0 | 111.4 | E622 I623 Q624 I628 N629 E630 | E622-K626 WeakPolarHBondContact O-CG 3.39Å; E622-K626 PolarHBondContact O-N 3.45Å; E622-K626 VanDerWaalsContact OE1-CE 3.22Å; E622-K626 WeakPolarHBondContact OE1-CE 3.22Å; E622-K626 IonicContact OE1-NZ 2.73Å; E622-K626 PolarHBondContact OE1-NZ 3.39Å; I623-K626 PolarHBondContact O-N 3.09Å; Q624-K626 PolarHBondContact O-N 2.97Å; K626-I628 VanDerWaalsContact C-N 3.3Å; K626-I628 PolarHBondContact O-N 3.19Å; K626-N629 PolarHBondContact O-N 3.18Å; K626-N629 VanDerWaalsContact O-N 3.16Å; K626-E630 WeakPolarHBondContact O-CB 3.15Å; K626-E630 PolarHBondContact O-N 2.98Å |
| 627 | L | 86.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 99.2 Ų | 99.2 | 45% | 0.45 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -38.6 | 178.1 | -176.4 | 65.2 | 0 | 0 | 0 | 112.6 | I623 Q624 T631 | I623-L627 PolarHBondContact O-N 3.37Å; Q624-L627 PolarHBondContact O-N 3.12Å; L627-T631 VanDerWaalsContact O-CB 3.32Å; L627-T631 WeakPolarHBondContact O-CB 3.33Å; L627-T631 PolarHBondContact O-N 3.12Å; L627-T631 PolarHBondContact O-OG1 2.95Å |
| 628 | I | 86.8 | Confident | 85.8 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 175.2 | -70 | 167 | 0 | 0 | 0 | 110.9 | Q624 K626 E630 T631 L632 | Q624-I628 WeakPolarHBondContact O-CB 3.41Å; Q624-I628 WeakPolarHBondContact O-CD1 3.23Å; Q624-I628 WeakPolarHBondContact O-CG1 3.49Å; Q624-I628 PolarHBondContact O-N 3Å; K626-I628 VanDerWaalsContact C-N 3.3Å; K626-I628 PolarHBondContact O-N 3.19Å; I628-E630 PolarHBondContact O-N 3.36Å; I628-T631 PolarHBondContact O-N 3.36Å; I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.44Å; I628-L632 WeakPolarHBondContact O-CB 3.42Å; I628-L632 VanDerWaalsContact O-CG 3.26Å; I628-L632 WeakPolarHBondContact O-CG 3.17Å; I628-L632 PolarHBondContact O-N 2.93Å |
| 629 | N | 83.8 | Confident | 85.5 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 178.3 | -72.9 | -20.2 | 0 | 0 | 0 | 112.5 | L625 K626 L632 G633 | L625-N629 WeakPolarHBondContact O-CB 3.33Å; L625-N629 VanDerWaalsContact O-CG 3.23Å; L625-N629 PolarHBondContact O-N 2.88Å; L625-N629 PolarHBondContact O-ND2 3.21Å; K626-N629 PolarHBondContact O-N 3.18Å; K626-N629 VanDerWaalsContact O-N 3.16Å; N629-L632 PolarHBondContact O-N 3.48Å; N629-G633 PolarHBondContact O-N 3.22Å |
| 630 | E | 88.9 | Confident | 85 | Confident | 120 Ų | 120 | 103 Ų | 103 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -48 | 174 | -172.8 | -176.1 | 158.3 | 0 | 0 | 111.2 | K626 I628 L632 G633 N634 | K626-E630 WeakPolarHBondContact O-CB 3.15Å; K626-E630 PolarHBondContact O-N 2.98Å; I628-E630 PolarHBondContact O-N 3.36Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.24Å; E630-G633 PolarHBondContact O-N 2.84Å; E630-G633 VanDerWaalsContact O-N 3.16Å; E630-N634 VanDerWaalsContact O-CG 3.29Å; E630-N634 PolarHBondContact O-N 3.14Å; E630-N634 PolarHBondContact O-ND2 2.98Å |
| 631 | T | 85.3 | Confident | 85 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | L627 I628 N634 I635 | L627-T631 VanDerWaalsContact O-CB 3.32Å; L627-T631 WeakPolarHBondContact O-CB 3.33Å; L627-T631 PolarHBondContact O-N 3.12Å; L627-T631 PolarHBondContact O-OG1 2.95Å; I628-T631 PolarHBondContact O-N 3.36Å; T631-N634 PolarHBondContact O-N 3.46Å; T631-I635 HydrophobicContact CG2-CD1 3.95Å; T631-I635 WeakPolarHBondContact O-CB 3.37Å; T631-I635 VanDerWaalsContact O-CG1 3.25Å; T631-I635 WeakPolarHBondContact O-CG1 3.32Å; T631-I635 PolarHBondContact O-N 3.46Å |
| 632 | L | 86.7 | Confident | 84.6 | Confident | 87 Ų | 87 | 100.2 Ų | 100.2 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.8 | -72.5 | 170.8 | 0 | 0 | 0 | 112.1 | I628 N629 E630 I635 I636 | I628-L632 HydrophobicContact CG2-CD1 3.88Å; I628-L632 HydrophobicContact CG2-CG 4.44Å; I628-L632 WeakPolarHBondContact O-CB 3.42Å; I628-L632 VanDerWaalsContact O-CG 3.26Å; I628-L632 WeakPolarHBondContact O-CG 3.17Å; I628-L632 PolarHBondContact O-N 2.93Å; N629-L632 PolarHBondContact O-N 3.48Å; E630-L632 VanDerWaalsContact C-N 3.33Å; E630-L632 PolarHBondContact O-N 3.24Å; L632-I635 PolarHBondContact O-N 3.46Å; L632-I636 WeakPolarHBondContact O-CB 3.5Å; L632-I636 WeakPolarHBondContact O-CD1 3.45Å; L632-I636 WeakPolarHBondContact O-CG1 3.21Å; L632-I636 PolarHBondContact O-N 3.5Å |
| 633 | G | 87.6 | Confident | 83.9 | Confident | 30 Ų | 30 | 99.9 Ų | 99.9 | 31% | 0.309 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | N629 E630 I635 I636 Q637 | N629-G633 PolarHBondContact O-N 3.22Å; E630-G633 PolarHBondContact O-N 2.84Å; E630-G633 VanDerWaalsContact O-N 3.16Å; G633-I635 PolarHBondContact O-N 2.63Å; G633-I636 PolarHBondContact O-N 3.18Å; G633-Q637 PolarHBondContact O-N 3.21Å |
| 634 | N | 85 | Confident | 83.3 | Confident | 92 Ų | 92 | 101.1 Ų | 101.1 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.2 | -65.4 | -16.7 | 0 | 0 | 0 | 112 | E630 T631 Q637 K638 | E630-N634 VanDerWaalsContact O-CG 3.29Å; E630-N634 PolarHBondContact O-N 3.14Å; E630-N634 PolarHBondContact O-ND2 2.98Å; T631-N634 PolarHBondContact O-N 3.46Å; N634-Q637 PolarHBondContact O-N 3.48Å; N634-K638 WeakPolarHBondContact O-CB 3.27Å; N634-K638 PolarHBondContact O-N 3.28Å |
| 635 | I | 83.8 | Confident | 82.9 | Confident | 78 Ų | 78 | 100.2 Ų | 100.2 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 172.8 | -72 | 166.5 | 0 | 0 | 0 | 111.1 | T631 L632 G633 K638 Y639 | T631-I635 HydrophobicContact CG2-CD1 3.95Å; T631-I635 WeakPolarHBondContact O-CB 3.37Å; T631-I635 VanDerWaalsContact O-CG1 3.25Å; T631-I635 WeakPolarHBondContact O-CG1 3.32Å; T631-I635 PolarHBondContact O-N 3.46Å; L632-I635 PolarHBondContact O-N 3.46Å; G633-I635 PolarHBondContact O-N 2.63Å; I635-K638 PolarHBondContact O-N 3.03Å; I635-Y639 HydrophobicContact CG2-CD2 3.71Å; I635-Y639 HydrophobicContact CG2-CE2 3.67Å; I635-Y639 VanDerWaalsContact O-CD2 3.3Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 2.98Å |
| 636 | I | 83.6 | Confident | 82.2 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 177.9 | -70.6 | 163.8 | 0 | 0 | 0 | 110.8 | L632 G633 K638 Y639 Q640 | L632-I636 WeakPolarHBondContact O-CB 3.5Å; L632-I636 WeakPolarHBondContact O-CD1 3.45Å; L632-I636 WeakPolarHBondContact O-CG1 3.21Å; L632-I636 PolarHBondContact O-N 3.5Å; G633-I636 PolarHBondContact O-N 3.18Å; I636-K638 PolarHBondContact O-N 2.71Å; I636-Y639 PolarHBondContact O-N 3.35Å; I636-Q640 HydrophobicContact CG2-CG 4.45Å; I636-Q640 VanDerWaalsContact O-CG 3.31Å; I636-Q640 WeakPolarHBondContact O-CG 3.37Å; I636-Q640 PolarHBondContact O-N 2.7Å |
| 637 | Q | 84.3 | Confident | 81.6 | Confident | 141 Ų | 141 | 98.8 Ų | 98.8 | 66% | 0.659 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -44.6 | 174.1 | -75.8 | -169.8 | 0.6 | 0 | 0 | 111.8 | G633 N634 Y639 Q640 L641 | G633-Q637 PolarHBondContact O-N 3.21Å; N634-Q637 PolarHBondContact O-N 3.48Å; Q637-Y639 PolarHBondContact O-N 2.92Å; Q637-Q640 PolarHBondContact O-N 3.17Å; Q637-L641 WeakPolarHBondContact O-CB 3.44Å; Q637-L641 PolarHBondContact O-N 2.99Å |
| 638 | K | 82.8 | Confident | 81.1 | Confident | 132 Ų | 132 | 101.5 Ų | 101.5 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -47.7 | 175.5 | -179.3 | 172.8 | 171.6 | 175.1 | 0 | 111.7 | N634 I635 I636 Q640 L641 E642 | N634-K638 WeakPolarHBondContact O-CB 3.27Å; N634-K638 PolarHBondContact O-N 3.28Å; I635-K638 PolarHBondContact O-N 3.03Å; I636-K638 PolarHBondContact O-N 2.71Å; K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 3.37Å; K638-L641 PolarHBondContact O-N 2.93Å; K638-E642 WeakPolarHBondContact CE-OE1 2.79Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.38Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.16Å |
| 639 | Y | 80.3 | Confident | 80.4 | Confident | 141 Ų | 141 | 101.5 Ų | 101.5 | 55% | 0.553 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 176 | -85 | -62.6 | 0 | 0 | 0 | 113.1 | I635 I636 Q637 N643 | I635-Y639 HydrophobicContact CG2-CD2 3.71Å; I635-Y639 HydrophobicContact CG2-CE2 3.67Å; I635-Y639 VanDerWaalsContact O-CD2 3.3Å; I635-Y639 WeakPolarHBondContact O-CD2 3.42Å; I635-Y639 PolarHBondContact O-N 2.98Å; I636-Y639 PolarHBondContact O-N 3.35Å; Q637-Y639 PolarHBondContact O-N 2.92Å; Y639-N643 WeakPolarHBondContact O-CB 3.22Å; Y639-N643 PolarHBondContact O-N 2.88Å; Y639-N643 PolarHBondContact O-ND2 3.36Å |
| 640 | Q | 79.3 | Confident | 79.9 | Confident | 131 Ų | 131 | 99.7 Ų | 99.7 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 174.7 | -70.3 | -67.4 | -8.2 | 0 | 0 | 111.7 | I636 Q637 K638 N643 Y644 | I636-Q640 HydrophobicContact CG2-CG 4.45Å; I636-Q640 VanDerWaalsContact O-CG 3.31Å; I636-Q640 WeakPolarHBondContact O-CG 3.37Å; I636-Q640 PolarHBondContact O-N 2.7Å; Q637-Q640 PolarHBondContact O-N 3.17Å; K638-Q640 VanDerWaalsContact C-N 3.33Å; K638-Q640 PolarHBondContact O-N 3.37Å; Q640-N643 PolarHBondContact O-N 3.48Å; Q640-Y644 VanDerWaalsContact O-CB 3.3Å; Q640-Y644 WeakPolarHBondContact O-CB 3.42Å; Q640-Y644 PolarHBondContact O-N 3.33Å |
| 641 | L | 81.3 | Confident | 78.9 | Confident | 112 Ų | 112 | 100.9 Ų | 100.9 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 176.5 | -174.4 | 62.9 | 0 | 0 | 0 | 111.6 | Q637 K638 N643 Y644 V645 | Q637-L641 WeakPolarHBondContact O-CB 3.44Å; Q637-L641 PolarHBondContact O-N 2.99Å; K638-L641 PolarHBondContact O-N 2.93Å; L641-N643 PolarHBondContact O-N 2.96Å; L641-Y644 PolarHBondContact O-N 3.3Å; L641-V645 WeakPolarHBondContact O-CG2 3.25Å; L641-V645 PolarHBondContact O-N 3.16Å |
| 642 | E | 78.1 | Confident | 78.2 | Confident | 91 Ų | 91 | 104.4 Ų | 104.4 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175 | -73.8 | 176.6 | 175.9 | 0 | 0 | 111.6 | K638 V645 L646 | K638-E642 WeakPolarHBondContact CE-OE1 2.79Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 IonicContact NZ-OE1 3.38Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 3.16Å; E642-V645 PolarHBondContact O-N 3.11Å; E642-L646 VanDerWaalsContact O-CB 3.24Å; E642-L646 WeakPolarHBondContact O-CB 3.48Å; E642-L646 PolarHBondContact O-N 3.16Å |
| 643 | N | 74.2 | Confident | 77.5 | Confident | 91 Ų | 91 | 104.7 Ų | 104.7 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 174.3 | -83.9 | -85.5 | 0 | 0 | 0 | 112.5 | Y639 Q640 L641 N647 | Y639-N643 WeakPolarHBondContact O-CB 3.22Å; Y639-N643 PolarHBondContact O-N 2.88Å; Y639-N643 PolarHBondContact O-ND2 3.36Å; Q640-N643 PolarHBondContact O-N 3.48Å; L641-N643 PolarHBondContact O-N 2.96Å; N643-N647 WeakPolarHBondContact O-CB 3.4Å; N643-N647 PolarHBondContact O-N 3.33Å |
| 644 | Y | 76.2 | Confident | 76.6 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 175.3 | -178.9 | -87.8 | 0 | 0 | 0 | 111.6 | Q640 L641 N647 R648 | Q640-Y644 VanDerWaalsContact O-CB 3.3Å; Q640-Y644 WeakPolarHBondContact O-CB 3.42Å; Q640-Y644 PolarHBondContact O-N 3.33Å; L641-Y644 PolarHBondContact O-N 3.3Å; Y644-N647 PolarHBondContact O-N 2.86Å; Y644-R648 WeakPolarHBondContact O-CB 3.34Å; Y644-R648 PolarHBondContact O-N 3.21Å |
| 645 | V | 73.6 | Confident | 75.9 | Confident | 65 Ų | 65 | 108.8 Ų | 108.8 | 39% | 0.394 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L641 E642 N647 R648 N649 | L641-V645 WeakPolarHBondContact O-CG2 3.25Å; L641-V645 PolarHBondContact O-N 3.16Å; E642-V645 PolarHBondContact O-N 3.11Å; V645-N647 VanDerWaalsContact C-N 3.27Å; V645-N647 PolarHBondContact O-N 2.64Å; V645-R648 PolarHBondContact O-N 3.39Å; V645-N649 WeakPolarHBondContact O-CB 3.49Å; V645-N649 VanDerWaalsContact O-CG 3.25Å; V645-N649 PolarHBondContact O-N 3.48Å; V645-N649 PolarHBondContact O-OD1 3.16Å |
| 646 | L | 72.7 | Confident | 75.3 | Confident | 107 Ų | 107 | 109 Ų | 109 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -37.4 | 175.7 | -174.7 | 63.5 | 0 | 0 | 0 | 111.9 | E642 T650 | E642-L646 VanDerWaalsContact O-CB 3.24Å; E642-L646 WeakPolarHBondContact O-CB 3.48Å; E642-L646 PolarHBondContact O-N 3.16Å; L646-T650 VanDerWaalsContact O-CB 3.23Å; L646-T650 WeakPolarHBondContact O-CB 3.26Å; L646-T650 PolarHBondContact O-N 2.85Å; L646-T650 PolarHBondContact O-OG1 3.28Å |
| 647 | N | 72.2 | Confident | 74.7 | Confident | 83 Ų | 83 | 109.4 Ų | 109.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 175.1 | -172.7 | -61.5 | 0 | 0 | 0 | 112.3 | N643 Y644 V645 T650 R651 | N643-N647 WeakPolarHBondContact O-CB 3.4Å; N643-N647 PolarHBondContact O-N 3.33Å; Y644-N647 PolarHBondContact O-N 2.86Å; V645-N647 VanDerWaalsContact C-N 3.27Å; V645-N647 PolarHBondContact O-N 2.64Å; N647-T650 PolarHBondContact O-N 2.88Å; N647-R651 WeakPolarHBondContact O-CB 3.44Å; N647-R651 PolarHBondContact O-N 3.49Å; N647-R651 VanDerWaalsContact OD1-CZ 3.3Å; N647-R651 PolarHBondContact OD1-NE 2.87Å; N647-R651 PolarHBondContact OD1-NH2 3.5Å |
| 648 | R | 76.3 | Confident | 74.1 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 173.2 | -173 | 175.6 | -179.5 | 176.4 | -1 | 110.3 | Y644 V645 R651 F652 | Y644-R648 WeakPolarHBondContact O-CB 3.34Å; Y644-R648 PolarHBondContact O-N 3.21Å; V645-R648 PolarHBondContact O-N 3.39Å; R648-R651 PolarHBondContact O-N 2.96Å; R648-F652 WeakPolarHBondContact O-CB 3.3Å; R648-F652 PolarHBondContact O-N 2.95Å |
| 649 | N | 73.3 | Confident | 73.4 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 46% | 0.46 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 177.2 | -67.3 | -4.2 | 0 | 0 | 0 | 111.7 | V645 R651 F652 L653 | V645-N649 WeakPolarHBondContact O-CB 3.49Å; V645-N649 VanDerWaalsContact O-CG 3.25Å; V645-N649 PolarHBondContact O-N 3.48Å; V645-N649 PolarHBondContact O-OD1 3.16Å; N649-R651 PolarHBondContact O-N 3.43Å; N649-F652 PolarHBondContact O-N 3.43Å; N649-L653 WeakPolarHBondContact O-CB 3.45Å; N649-L653 WeakPolarHBondContact O-CG 3.42Å; N649-L653 PolarHBondContact O-N 2.93Å |
| 650 | T | 71.9 | Confident | 72.8 | Confident | 56 Ų | 56 | 103.2 Ų | 103.2 | 34% | 0.344 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -38 | 173.6 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | L646 N647 K654 | L646-T650 VanDerWaalsContact O-CB 3.23Å; L646-T650 WeakPolarHBondContact O-CB 3.26Å; L646-T650 PolarHBondContact O-N 2.85Å; L646-T650 PolarHBondContact O-OG1 3.28Å; N647-T650 PolarHBondContact O-N 2.88Å; T650-K654 HydrophobicContact CG2-CD 4.23Å; T650-K654 WeakPolarHBondContact O-CB 3.31Å; T650-K654 VanDerWaalsContact O-CG 3.25Å; T650-K654 WeakPolarHBondContact O-CG 3.3Å; T650-K654 PolarHBondContact O-N 3.48Å |
| 651 | R | 68.9 | Low | 72.1 | Confident | 145 Ų | 145 | 104.2 Ų | 104.2 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 173.2 | -82.9 | -172.9 | -81.4 | 155.9 | -4.2 | 112.1 | N647 R648 N649 K654 S655 | N647-R651 WeakPolarHBondContact O-CB 3.44Å; N647-R651 PolarHBondContact O-N 3.49Å; N647-R651 VanDerWaalsContact OD1-CZ 3.3Å; N647-R651 PolarHBondContact OD1-NE 2.87Å; N647-R651 PolarHBondContact OD1-NH2 3.5Å; R648-R651 PolarHBondContact O-N 2.96Å; N649-R651 PolarHBondContact O-N 3.43Å; R651-K654 PolarHBondContact O-N 3.4Å; R651-S655 WeakPolarHBondContact O-CB 3.37Å; R651-S655 PolarHBondContact O-N 3.45Å |
| 652 | F | 70.6 | Confident | 71.1 | Confident | 143 Ų | 143 | 102 Ų | 102 | 63% | 0.627 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -48 | 174.7 | -168.8 | -94.6 | 0 | 0 | 0 | 111.2 | R648 N649 K654 S655 M656 | R648-F652 WeakPolarHBondContact O-CB 3.3Å; R648-F652 PolarHBondContact O-N 2.95Å; N649-F652 PolarHBondContact O-N 3.43Å; F652-K654 PolarHBondContact O-N 3.38Å; F652-S655 CarbonylContact O-C 3.58Å; F652-S655 WeakPolarHBondContact O-CB 3.24Å; F652-S655 PolarHBondContact O-N 3.29Å; F652-S655 VanDerWaalsContact O-N 3.16Å; F652-M656 WeakPolarHBondContact O-CB 3.35Å; F652-M656 PolarHBondContact O-N 3.33Å |
| 653 | L | 70.9 | Confident | 70.1 | Confident | 93 Ų | 93 | 102.7 Ų | 102.7 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 174 | -73.9 | 169.1 | 0 | 0 | 0 | 112.1 | N649 M656 L657 | N649-L653 WeakPolarHBondContact O-CB 3.45Å; N649-L653 WeakPolarHBondContact O-CG 3.42Å; N649-L653 PolarHBondContact O-N 2.93Å; L653-M656 HydrophobicContact CD2-CE 4.02Å; L653-M656 PolarHBondContact O-N 2.95Å; L653-L657 WeakPolarHBondContact O-CD1 3.43Å; L653-L657 PolarHBondContact O-N 3.15Å |
| 654 | K | 70.1 | Confident | 69.2 | Low | 133 Ų | 133 | 102.6 Ų | 102.6 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 173.9 | -76.5 | 173.8 | -179.7 | -179.9 | 0 | 112.2 | T650 R651 F652 L657 I658 | T650-K654 HydrophobicContact CG2-CD 4.23Å; T650-K654 WeakPolarHBondContact O-CB 3.31Å; T650-K654 VanDerWaalsContact O-CG 3.25Å; T650-K654 WeakPolarHBondContact O-CG 3.3Å; T650-K654 PolarHBondContact O-N 3.48Å; R651-K654 PolarHBondContact O-N 3.4Å; F652-K654 PolarHBondContact O-N 3.38Å; K654-L657 PolarHBondContact O-N 3.22Å; K654-I658 WeakPolarHBondContact O-CB 3.1Å; K654-I658 WeakPolarHBondContact O-CD1 3.38Å; K654-I658 WeakPolarHBondContact O-CG1 3.33Å; K654-I658 PolarHBondContact O-N 3.49Å |
| 655 | S | 70.1 | Confident | 68 | Low | 75 Ų | 75 | 99.3 Ų | 99.3 | 52% | 0.524 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | R651 F652 I658 S659 | R651-S655 WeakPolarHBondContact O-CB 3.37Å; R651-S655 PolarHBondContact O-N 3.45Å; F652-S655 CarbonylContact O-C 3.58Å; F652-S655 WeakPolarHBondContact O-CB 3.24Å; F652-S655 PolarHBondContact O-N 3.29Å; F652-S655 VanDerWaalsContact O-N 3.16Å; S655-I658 PolarHBondContact O-N 3.48Å; S655-S659 WeakPolarHBondContact O-CB 3.23Å; S655-S659 PolarHBondContact O-N 3.34Å |
| 656 | M | 71.5 | Confident | 66.9 | Low | 83 Ų | 83 | 106.5 Ų | 106.5 | 41% | 0.409 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.3 | -44.6 | 176 | -167.2 | -178.2 | 78.2 | 0 | 0 | 111.6 | F652 L653 I658 S659 I660 | F652-M656 WeakPolarHBondContact O-CB 3.35Å; F652-M656 PolarHBondContact O-N 3.33Å; L653-M656 HydrophobicContact CD2-CE 4.02Å; L653-M656 PolarHBondContact O-N 2.95Å; M656-I658 PolarHBondContact O-N 2.89Å; M656-S659 PolarHBondContact O-N 3.2Å; M656-I660 HydrophobicContact CE-CD1 4.35Å; M656-I660 HydrophobicContact CG-CD1 3.93Å; M656-I660 WeakPolarHBondContact O-CB 3.33Å; M656-I660 VanDerWaalsContact O-CG1 3.26Å; M656-I660 WeakPolarHBondContact O-CG1 3.43Å; M656-I660 PolarHBondContact O-N 2.93Å |
| 657 | L | 71 | Confident | 65.1 | Low | 112 Ų | 112 | 104.6 Ų | 104.6 | 59% | 0.586 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.9 | -43.1 | 172.9 | -96.4 | 81.3 | 0 | 0 | 0 | 111.9 | L653 K654 S659 H661 | L653-L657 WeakPolarHBondContact O-CD1 3.43Å; L653-L657 PolarHBondContact O-N 3.15Å; K654-L657 PolarHBondContact O-N 3.22Å; L657-S659 VanDerWaalsContact C-N 3.32Å; L657-S659 PolarHBondContact O-N 2.88Å; L657-H661 VanDerWaalsContact O-CB 3.23Å; L657-H661 WeakPolarHBondContact O-CB 3.38Å; L657-H661 PolarHBondContact O-N 3.4Å |
| 658 | I | 71.3 | Confident | 63.7 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.9 | -40.5 | 176.2 | -70.4 | 163.5 | 0 | 0 | 0 | 110.7 | K654 S655 M656 H661 S662 | K654-I658 WeakPolarHBondContact O-CB 3.1Å; K654-I658 WeakPolarHBondContact O-CD1 3.38Å; K654-I658 WeakPolarHBondContact O-CG1 3.33Å; K654-I658 PolarHBondContact O-N 3.49Å; S655-I658 PolarHBondContact O-N 3.48Å; M656-I658 PolarHBondContact O-N 2.89Å; I658-H661 PolarHBondContact O-N 2.75Å; I658-S662 WeakPolarHBondContact O-CB 3.25Å; I658-S662 PolarHBondContact O-N 3.41Å |
| 659 | S | 68.5 | Low | 61.9 | Low | 69 Ų | 69 | 107.8 Ų | 107.8 | 48% | 0.483 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.9 | -48.5 | 177.8 | -165.2 | 0 | 0 | 0 | 0 | 111.8 | S655 M656 L657 H661 S662 V663 | S655-S659 WeakPolarHBondContact O-CB 3.23Å; S655-S659 PolarHBondContact O-N 3.34Å; M656-S659 PolarHBondContact O-N 3.2Å; L657-S659 VanDerWaalsContact C-N 3.32Å; L657-S659 PolarHBondContact O-N 2.88Å; S659-H661 VanDerWaalsContact C-N 3.3Å; S659-H661 PolarHBondContact O-N 2.86Å; S659-S662 WeakPolarHBondContact O-CA 3.47Å; S659-S662 WeakPolarHBondContact O-CB 3.36Å; S659-S662 PolarHBondContact O-N 2.91Å; S659-V663 WeakPolarHBondContact O-CG2 3.36Å; S659-V663 PolarHBondContact O-N 3.23Å |
| 660 | I | 68 | Low | 60.3 | Low | 92 Ų | 92 | 110.6 Ų | 110.6 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.9 | -43.4 | 174.4 | -68.9 | 164.7 | 0 | 0 | 0 | 110.7 | M656 S662 V663 C664 | M656-I660 HydrophobicContact CE-CD1 4.35Å; M656-I660 HydrophobicContact CG-CD1 3.93Å; M656-I660 WeakPolarHBondContact O-CB 3.33Å; M656-I660 VanDerWaalsContact O-CG1 3.26Å; M656-I660 WeakPolarHBondContact O-CG1 3.43Å; M656-I660 PolarHBondContact O-N 2.93Å; I660-S662 VanDerWaalsContact C-N 3.31Å; I660-S662 PolarHBondContact O-N 2.77Å; I660-V663 PolarHBondContact O-N 2.87Å; I660-C664 WeakPolarHBondContact O-CB 3.27Å; I660-C664 PolarHBondContact O-N 3.19Å |
| 661 | H | 63.8 | Low | 58.6 | Low | 153 Ų | 153 | 115.6 Ų | 115.6 | 71% | 0.708 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.9 | -32.8 | 176.1 | -166.7 | -106.1 | 0 | 0 | 0 | 112.4 | L657 I658 S659 G665 | L657-H661 VanDerWaalsContact O-CB 3.23Å; L657-H661 WeakPolarHBondContact O-CB 3.38Å; L657-H661 PolarHBondContact O-N 3.4Å; I658-H661 PolarHBondContact O-N 2.75Å; S659-H661 VanDerWaalsContact C-N 3.3Å; S659-H661 PolarHBondContact O-N 2.86Å; H661-G665 WeakPolarHBondContact O-CA 3.18Å; H661-G665 PolarHBondContact O-N 2.83Å |
| 662 | S | 59.1 | Low | 57 | Low | 66 Ų | 66 | 114.3 Ų | 114.3 | 46% | 0.462 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -71.3 | -37.8 | 174.4 | -158.9 | 0 | 0 | 0 | 0 | 112.8 | I658 S659 I660 G665 | I658-S662 WeakPolarHBondContact O-CB 3.25Å; I658-S662 PolarHBondContact O-N 3.41Å; S659-S662 WeakPolarHBondContact O-CA 3.47Å; S659-S662 WeakPolarHBondContact O-CB 3.36Å; S659-S662 PolarHBondContact O-N 2.91Å; I660-S662 VanDerWaalsContact C-N 3.31Å; I660-S662 PolarHBondContact O-N 2.77Å; S662-G665 PolarHBondContact O-N 3.49Å |
| 663 | V | 59 | Low | 55.6 | Low | 104 Ų | 104 | 118 Ų | 118 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.2 | -50.2 | 175.4 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S659 I660 G665 R666 | S659-V663 WeakPolarHBondContact O-CG2 3.36Å; S659-V663 PolarHBondContact O-N 3.23Å; I660-V663 PolarHBondContact O-N 2.87Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 3.46Å; V663-R666 PolarHBondContact O-N 2.86Å |
| 664 | C | 53.9 | Low | 53.9 | Low | 89 Ų | 89 | 120.6 Ų | 120.6 | 60% | 0.601 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.2 | -36.7 | 173.3 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | I660 R666 G667 | I660-C664 WeakPolarHBondContact O-CB 3.27Å; I660-C664 PolarHBondContact O-N 3.19Å; C664-R666 PolarHBondContact O-N 3.47Å; C664-R666 VanDerWaalsContact O-N 3.08Å; C664-G667 PolarHBondContact O-N 2.98Å; C664-G667 VanDerWaalsContact O-N 3.08Å |
| 665 | G | 50.8 | Low | 52.3 | Low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -8.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H661 S662 V663 | H661-G665 WeakPolarHBondContact O-CA 3.18Å; H661-G665 PolarHBondContact O-N 2.83Å; S662-G665 PolarHBondContact O-N 3.49Å; V663-G665 VanDerWaalsContact C-N 3.26Å; V663-G665 PolarHBondContact O-N 3.46Å |
| 666 | R | 50.8 | Low | 50.5 | Low | 217 Ų | 217 | 129.3 Ų | 129.3 | 82% | 0.819 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -9.3 | 172.9 | -63.9 | -175.5 | -174.9 | -149.1 | 0.9 | 113.7 | V663 C664 S668 | V663-R666 PolarHBondContact O-N 2.86Å; C664-R666 PolarHBondContact O-N 3.47Å; C664-R666 VanDerWaalsContact O-N 3.08Å; R666-S668 PolarHBondContact O-N 3.46Å |
| 667 | G | 36.1 | Very low | 48.8 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | | | trans | -87.5 | 88.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C664 | C664-G667 PolarHBondContact O-N 2.98Å; C664-G667 VanDerWaalsContact O-N 3.08Å |
| 668 | S | 42.4 | Very low | 46.9 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 71% | 0.714 | S | S | * | * | | | trans | -105.8 | 127.5 | 179.8 | -144.6 | 0 | 0 | 0 | 0 | 111.5 | R666 | R666-S668 PolarHBondContact O-N 3.46Š|
| 669 | F | 38 | Very low | 45 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | | | trans | 67.4 | 143.8 | 175.4 | -64.9 | -87 | 0 | 0 | 0 | 115.3 | | |
| 670 | I | 39.4 | Very low | 43.2 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | | | cis | -138.9 | 129.2 | 2.4 | -56.7 | 172.8 | 0 | 0 | 0 | 109.6 | | |
| 671 | L | 35.9 | Very low | 41.4 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | trans | -161.7 | 109 | 134.1 | -140.9 | 60 | 0 | 0 | 0 | 114.6 | | |
| 672 | T | 36.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | trans | 33.1 | 82.4 | 146.6 | -32.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 673 | R | 40.2 | Very low | 38.3 | Very low | 222 Ų | 222 | 142.6 Ų | 142.6 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | | 38.5 | 96.8 | 120 | -174.4 | -176.7 | -173.4 | 156.9 | 2 | 117.5 | | |
| 674 | N | 36.7 | Very low | 37 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | | 174.9 | 92.4 | 129.4 | -90.8 | -25.7 | 0 | 0 | 0 | 114.8 | | |
| 675 | R | 34.7 | Very low | 35.7 | Very low | 247 Ų | 247 | 144.6 Ų | 144.6 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | | | | 175.6 | 157.7 | 127.9 | -96.1 | 168.4 | 180 | -172.3 | -0.4 | 111.4 | | |
| 676 | V | 32.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -72 | 142.2 | -163.3 | 177.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 677 | I | 36.7 | Very low | 33.7 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | | | trans | -100.7 | 141.3 | 171.2 | -63.2 | 169.8 | 0 | 0 | 0 | 109.4 | L679 | I677-L679 HydrophobicContact CG2-CB 4.38Š|
| 678 | A | 30.6 | Very low | 33.3 | Very low | 100 Ų | 100 | 154 Ų | 154 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | | | trans | -137.1 | 100.9 | 162 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 679 | L | 31.4 | Very low | 32.8 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -122.7 | 112.8 | 175.2 | -109.6 | 169.7 | 0 | 0 | 0 | 107.9 | I677 | I677-L679 HydrophobicContact CG2-CB 4.38Š|
| 680 | T | 29.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -104.6 | 120.2 | -178.8 | -53 | 0 | 0 | 0 | 0 | 110.6 | | |
| 681 | H | 31.5 | Very low | 32.1 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | trans | -80.8 | 143.1 | 179.5 | 177.3 | -93.7 | 0 | 0 | 0 | 111.6 | | |
| 682 | C | 25.7 | Very low | 31.9 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -148.9 | 156.5 | 165.1 | -152.3 | 0 | 0 | 0 | 0 | 111 | | |
| 683 | Q | 31.5 | Very low | 31.5 | Very low | 152 Ų | 152 | 156.7 Ų | 156.7 | 71% | 0.71 | 81% | 0.81 | S | S | * | * | | | trans | -132.7 | 158.8 | -137.2 | -163.4 | 165.9 | -12.7 | 0 | 0 | 115.3 | | |
| 684 | N | 32.6 | Very low | 31.1 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | -43.3 | 142.1 | -172.5 | -59.1 | -28 | 0 | 0 | 0 | 117.3 | | |
| 685 | G | 26.8 | Very low | 30.7 | Very low | 73 Ų | 73 | 154.6 Ų | 154.6 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -162.6 | 78.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 686 | K | 27.7 | Very low | 30.5 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | | | trans | 65.3 | 126.6 | 152 | -62.6 | 173.2 | -179.4 | 172 | 0 | 120.4 | | |
| 687 | V | 31 | Very low | 30.1 | Very low | 132 Ų | 132 | 150 Ų | 150 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | trans | -73.8 | 140.4 | 166.2 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 688 | K | 27.6 | Very low | 29.6 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | | | trans | -137.5 | 104 | 149 | -92 | -167.4 | 173.3 | -176.7 | 0 | 111 | | |
| 689 | R | 31.2 | Very low | 29.4 | Very low | 206 Ų | 206 | 154 Ų | 154 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | trans | -71.9 | 124.2 | 166.9 | 175.9 | 179.6 | 178.9 | 159.7 | -3.2 | 108.3 | E691 | R689-E691 IonicContact CZ-OE1 3.91Å; R689-E691 IonicContact NE-OE1 2.85Å; R689-E691 PolarHBondContact NE-OE1 2.8Å; R689-E691 IonicContact NH2-OE1 2.68Å; R689-E691 PolarHBondContact NH2-OE1 3.12Å |
| 690 | T | 29 | Very low | 29.1 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -134.9 | 114.5 | 171.2 | -45.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 691 | E | 34 | Very low | 28.8 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | | | trans | -88.2 | 136.7 | 178.3 | -70.3 | 163 | -174.8 | 0 | 0 | 110.6 | R689 | R689-E691 IonicContact CZ-OE1 3.91Å; R689-E691 IonicContact NE-OE1 2.85Å; R689-E691 PolarHBondContact NE-OE1 2.8Å; R689-E691 IonicContact NH2-OE1 2.68Å; R689-E691 PolarHBondContact NH2-OE1 3.12Å |
| 692 | R | 31.3 | Very low | 28.6 | Very low | 241 Ų | 241 | 155.2 Ų | 155.2 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -177 | 142.2 | 148.7 | -112.5 | 176.5 | -72.1 | -173.8 | -1.2 | 112.9 | | |
| 693 | G | 28.2 | Very low | 28.6 | Very low | 78 Ų | 78 | 159.2 Ų | 159.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 90.9 | 100.7 | 147 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 694 | I | 33.5 | Very low | 28.4 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -77.8 | 129.7 | 158.3 | -62.1 | 164.9 | 0 | 0 | 0 | 108.5 | | |
| 695 | Q | 27.5 | Very low | 28 | Very low | 168 Ų | 168 | 153.1 Ų | 153.1 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -147.1 | 126.9 | 144.6 | -85 | -57.2 | -5.4 | 0 | 0 | 109.9 | | |
| 696 | V | 29.3 | Very low | 28.3 | Very low | 135 Ų | 135 | 157.6 Ų | 157.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -101.3 | 111.6 | 169.3 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 697 | M | 26 | Very low | 28.2 | Very low | 160 Ų | 160 | 150.1 Ų | 150.1 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -111.9 | 121.9 | 179.4 | -159.2 | 172.7 | -64.8 | 0 | 0 | 111.1 | | |
| 698 | R | 25 | Very low | 27.9 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | -56 | 136.2 | 171.9 | 174.2 | -174.2 | -68.4 | 121.8 | -2.2 | 110.4 | D700 | R698-D700 WeakPolarHBondContact CD-OD1 3.44Š|
| 699 | V | 27 | Very low | 27.9 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -127.2 | 114.7 | 165 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 700 | D | 24.5 | Very low | 27.6 | Very low | 97 Ų | 97 | 153.5 Ų | 153.5 | 52% | 0.519 | 79% | 0.791 | S | S | . | * | | | trans | -84.6 | 132.6 | -177.9 | -55.4 | -86.5 | 0 | 0 | 0 | 111.4 | R698 Y702 | R698-D700 WeakPolarHBondContact CD-OD1 3.44Å; D700-Y702 HydrophobicContact CB-CD2 3.76Å; D700-Y702 HydrophobicContact CB-CE2 3.71Å; D700-Y702 PolarHBondContact O-N 3.25Å |
| 701 | L | 24.8 | Very low | 27.3 | Very low | 174 Ų | 174 | 153 Ų | 153 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -95.9 | 77.4 | 174.1 | -121.6 | 77 | 0 | 0 | 0 | 111.1 | K703 | L701-K703 PolarHBondContact O-N 2.81Š|
| 702 | Y | 26.8 | Very low | 28 | Very low | 206 Ų | 206 | 152.6 Ų | 152.6 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 116.7 | 170.2 | -80 | -85.5 | 0 | 0 | 0 | 110.9 | D700 S704 | D700-Y702 HydrophobicContact CB-CD2 3.76Å; D700-Y702 HydrophobicContact CB-CE2 3.71Å; D700-Y702 PolarHBondContact O-N 3.25Å; Y702-S704 PolarHBondContact O-N 2.8Å |
| 703 | K | 25.8 | Very low | 27.7 | Very low | 213 Ų | 213 | 146.8 Ų | 146.8 | 93% | 0.926 | 80% | 0.797 | S | S | * | * | | | trans | -79.8 | 109.8 | 175.6 | -165.9 | 173.9 | -176.7 | 179.3 | 0 | 109.5 | L701 | L701-K703 PolarHBondContact O-N 2.81Š|
| 704 | S | 27.4 | Very low | 27.7 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -79.5 | 149.2 | -175.2 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | Y702 | Y702-S704 PolarHBondContact O-N 2.8Š|
| 705 | G | 24.8 | Very low | 27.5 | Very low | 67 Ų | 67 | 148.3 Ų | 148.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -153.1 | 90.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 706 | N | 31.4 | Very low | 27.5 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 30.5 | 129.6 | 159.1 | -57.2 | -16.3 | 0 | 0 | 0 | 120.3 | | |
| 707 | G | 26.3 | Very low | 27.7 | Very low | 57 Ų | 57 | 146 Ų | 146 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | | | cis | 148.1 | 156.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 708 | Y | 25.4 | Very low | 28.1 | Very low | 241 Ų | 241 | 145 Ų | 145 | 95% | 0.945 | 79% | 0.787 | S | S | * | * | | | trans | -138.8 | 144.8 | 177.8 | -47.5 | -73.9 | 0 | 0 | 0 | 110.4 | | |
| 709 | K | 26 | Very low | 29.2 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -136.2 | 108.5 | -175.3 | -176.7 | -172.6 | -177 | -176 | 0 | 110.7 | | |
| 710 | I | 24.7 | Very low | 29.4 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | trans | -147.8 | 149.4 | 166.5 | -93.8 | 149.4 | 0 | 0 | 0 | 108.3 | | |
| 711 | S | 23.4 | Very low | 29.6 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -162.5 | -178.1 | -175.5 | -55.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 712 | P | 49.6 | Very low | 30.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | | -134.9 | 171.5 | -59.8 | 39.2 | -24.4 | 0 | 0 | 0 | 113.6 | | |
| 713 | S | 24.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -178.9 | 155.9 | 160.4 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 714 | S | 28.9 | Very low | 30.6 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | cis | -171.7 | 160 | 8 | 24.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 715 | E | 28.1 | Very low | 31.2 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | cis | -169.2 | 172.7 | -6 | -169 | -142.7 | 143.2 | 0 | 0 | 107.8 | | |
| 716 | K | 28.6 | Very low | 31.4 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | 74 | 145.6 | 164.3 | -54.6 | -175.5 | -176.8 | 179.2 | 0 | 119.8 | | |
| 717 | A | 31.6 | Very low | 31.3 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | | | cis | -165.3 | 126.1 | -26.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 718 | V | 34.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | 54.3 | 139.3 | 132.7 | 173.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 719 | P | 48.1 | Very low | 31.4 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | cis | -130.7 | 174.8 | 23.4 | 30.9 | -8.9 | 0 | 0 | 0 | 117.9 | | |
| 720 | A | 32.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | 30.7 | 139.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 721 | G | 27.6 | Very low | 31.5 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | | | cis | 122.1 | 148.5 | 23.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 722 | P | 41.8 | Very low | 31.7 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | cis | -126.1 | -176.2 | 26.2 | 43 | -29.5 | 0 | 0 | 0 | 117 | | |
| 723 | R | 26.3 | Very low | 30.8 | Very low | 227 Ų | 227 | 126.7 Ų | 126.7 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -47.4 | 159.7 | 176.3 | -56 | 167.2 | 167.3 | 170.9 | -5.8 | 115.3 | | |
| 724 | M | 30.4 | Very low | 31 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | cis | 65.7 | 153.5 | 39 | -59.4 | -64.9 | -91.1 | 0 | 0 | 112.6 | T726 | M724-T726 VanDerWaalsContact CE-OG1 3.27Å; M724-T726 WeakPolarHBondContact CE-OG1 3.38Å |
| 725 | P | 40.3 | Very low | 30.9 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | cis | -116.1 | 172.4 | 23.2 | 19.5 | 4.9 | 0 | 0 | 0 | 115.2 | | |
| 726 | T | 28.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 64% | 0.644 | 80% | 0.798 | S | S | * | * | | | cis | 105.9 | 145.3 | 24.1 | -42 | 0 | 0 | 0 | 0 | 113.9 | M724 | M724-T726 VanDerWaalsContact CE-OG1 3.27Å; M724-T726 WeakPolarHBondContact CE-OG1 3.38Å |
| 727 | S | 30.4 | Very low | 30.8 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -75.3 | 160.7 | -171 | 55.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 728 | G | 26.3 | Very low | 30.6 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | | | trans | 133.7 | 152.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 729 | S | 25.9 | Very low | 30.6 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -164.6 | 171.8 | -11.3 | -159.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 730 | L | 28 | Very low | 29.6 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | 32.6 | 120.5 | 155.9 | -67.7 | 160.5 | 0 | 0 | 0 | 120.1 | | |
| 731 | G | 26.4 | Very low | 30 | Very low | 83 Ų | 83 | 132.2 Ų | 132.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -168.1 | 117.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 732 | V | 27.7 | Very low | 29.9 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -96.5 | 146.6 | -178.5 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 733 | L | 28.6 | Very low | 29.5 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | 146.4 | 161.9 | 136.9 | -77.4 | 172.8 | 0 | 0 | 0 | 115.7 | | |
| 734 | S | 29.4 | Very low | 30.1 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -107.7 | 150.2 | -158.9 | -38.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 735 | A | 27.7 | Very low | 30 | Very low | 94 Ų | 94 | 125.1 Ų | 125.1 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -166.9 | 127.7 | 146.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 736 | Q | 26.6 | Very low | 29.5 | Very low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | cis | 77.5 | 97.8 | 46 | -168.4 | 179.9 | 3.4 | 0 | 0 | 114.6 | | |
| 737 | S | 27.5 | Very low | 29.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -174.4 | 146.7 | 137.5 | 28.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 738 | Q | 27.5 | Very low | 29.7 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -81.9 | 176.8 | 163.8 | -86.5 | 178.1 | -79.6 | 0 | 0 | 109.8 | | |
| 739 | P | 35.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | cis | -146.6 | -179.6 | 23.5 | 45.5 | -25.6 | 0 | 0 | 0 | 118.7 | | |
| 740 | Q | 26.9 | Very low | 30.1 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -99.2 | 166.5 | 151.8 | -118.1 | -158 | 13.3 | 0 | 0 | 108.3 | | |
| 741 | P | 41.2 | Very low | 31 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -128.8 | -154 | 34 | 32.6 | -7.3 | 0 | 0 | 0 | 111 | | |
| 742 | S | 24.8 | Very low | 31.3 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | cis | -165.2 | 161.9 | 27.3 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 743 | A | 33.6 | Very low | 31.4 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -98 | 175.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 744 | P | 39.1 | Very low | 31.6 | Very low | 131 Ų | 131 | 133 Ų | 133 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | | -146.6 | 176.6 | 101 | 40.2 | -25.7 | 0 | 0 | 0 | 116.5 | | |
| 745 | S | 27.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -70.4 | -178.2 | 165.9 | -143.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 746 | N | 29.4 | Very low | 33.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | cis | -169.5 | 164.9 | 31.4 | -142.3 | -31.2 | 0 | 0 | 0 | 114.2 | | |
| 747 | Q | 30.9 | Very low | 33.5 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | 26 | 134.3 | 150.1 | -84.6 | 166.1 | 79.7 | 0 | 0 | 123.6 | | |
| 748 | Q | 32.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | | 165.1 | 157.3 | 120.9 | -90 | -179 | 44.9 | 0 | 0 | 110 | | |
| 749 | K | 31 | Very low | 33.9 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | cis | -170.1 | 141.6 | -22.6 | -175.4 | 178.7 | 179 | -178.9 | 0 | 107.6 | | |
| 750 | G | 30.8 | Very low | 33.7 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | -74.2 | 172.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 751 | P | 46.4 | Very low | 33.9 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | | | | -157.1 | 174.2 | 57.2 | 43.7 | -23.1 | 0 | 0 | 0 | 120.1 | | |
| 752 | A | 31.8 | Very low | 33.3 | Very low | 85 Ų | 85 | 137.9 Ų | 137.9 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | 69.5 | 119 | 138.5 | 0 | 0 | 0 | 0 | 0 | 126.2 | | |
| 753 | R | 31.3 | Very low | 33.6 | Very low | 247 Ų | 247 | 138.2 Ų | 138.2 | 93% | 0.932 | 77% | 0.766 | S | S | * | * | | | | 70.6 | 95.4 | 128.3 | -66.3 | -176.4 | 173.5 | -165.1 | -1.5 | 123.8 | | |
| 754 | G | 32.4 | Very low | 33.3 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | | 54.2 | -174.5 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 755 | P | 47.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | cis | -118.8 | 173.9 | -13.9 | 41.7 | -29 | 0 | 0 | 0 | 113.6 | | |
| 756 | P | 42.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | -80.2 | 150.4 | 167.9 | 33.5 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 757 | M | 33 | Very low | 34.1 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 93% | 0.931 | 76% | 0.761 | S | S | * | * | | | trans | -110.9 | 155.3 | 176.1 | -137.4 | -162.5 | 98.2 | 0 | 0 | 113.2 | | |
| 758 | Q | 34.3 | Very low | 34 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -108.8 | 154.3 | -166.2 | -177.4 | -174.7 | 36.9 | 0 | 0 | 111.8 | | |
| 759 | R | 28.9 | Very low | 33.8 | Very low | 252 Ų | 252 | 140.9 Ų | 140.9 | 95% | 0.951 | 76% | 0.761 | S | S | * | * | | | trans | -139 | 153.9 | 149.7 | -154.7 | 166.7 | -176.4 | 121.1 | 2.2 | 110.8 | | |
| 760 | Q | 31.5 | Very low | 34 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | | | trans | -147.8 | 154 | -154.3 | 176.7 | -169.8 | 13.1 | 0 | 0 | 109.9 | | |
| 761 | V | 30.9 | Very low | 34 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | | | trans | 169.9 | 113.2 | 144.9 | 146.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 762 | N | 29.6 | Very low | 33.3 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | | | | 74 | 135.3 | 86.1 | -112.1 | -122.7 | 0 | 0 | 0 | 113.4 | | |
| 763 | L | 30.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | | | cis | -164.1 | -176.6 | 2.1 | -164.9 | 58.2 | 0 | 0 | 0 | 111.3 | | |
| 764 | Q | 28.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | 90.3 | 114.8 | 158.9 | -133.1 | 155.9 | 89.8 | 0 | 0 | 115.2 | | |
| 765 | Q | 30.6 | Very low | 32.9 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | | 70.5 | 135.8 | 54.6 | -62.8 | 174.4 | 47.7 | 0 | 0 | 112.9 | | |
| 766 | H | 30.2 | Very low | 32.3 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | cis | -153.4 | -178.9 | 3.9 | -111.3 | -49.1 | 0 | 0 | 0 | 110.1 | | |
| 767 | P | 50.9 | Low | 31.9 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | trans | -104.6 | -177.7 | -170.2 | 40.2 | -35.1 | 0 | 0 | 0 | 115.1 | | |
| 768 | I | 29.8 | Very low | 31.8 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | 163.4 | 139.3 | 135.6 | -86.4 | 159 | 0 | 0 | 0 | 115.4 | | |
| 769 | S | 26.6 | Very low | 31.7 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | 37.3 | 144.9 | 154.2 | -59.9 | 0 | 0 | 0 | 0 | 126.7 | | |
| 770 | N | 35.5 | Very low | 31.8 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | trans | -65.1 | 164 | 151.6 | -64 | -38.4 | 0 | 0 | 0 | 112.3 | | |
| 771 | T | 31.6 | Very low | 31.7 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 85% | 0.847 | 74% | 0.738 | S | S | * | * | | | trans | -151.5 | 132.9 | 157.3 | -64.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 772 | D | 31.3 | Very low | 31.9 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -69.2 | 164.7 | -179.2 | -49.1 | -108 | 0 | 0 | 0 | 113.8 | | |
| 773 | K | 30.5 | Very low | 32.5 | Very low | 188 Ų | 188 | 147.3 Ų | 147.3 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | | -171.1 | 152.2 | 113 | -105.5 | -166.5 | 167.4 | -171.9 | 0 | 117.5 | | |
| 774 | D | 29.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -4.4 | 143.8 | 153.7 | -57.2 | -70.8 | 0 | 0 | 0 | 118.3 | | |
| 775 | N | 27.3 | Very low | 33.1 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | | -164 | 164.7 | 61.6 | -166.2 | 19.5 | 0 | 0 | 0 | 114.3 | | |
| 776 | T | 35.5 | Very low | 33.5 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -98.5 | 149.7 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 777 | H | 32.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -165.2 | 167.1 | 141.4 | -150 | 17.6 | 0 | 0 | 0 | 113.6 | | |
| 778 | D | 31.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 56% | 0.561 | 77% | 0.769 | S | S | * | * | | | trans | -29.9 | 167.4 | 164.8 | -79.8 | -122 | 0 | 0 | 0 | 119.2 | | |
| 779 | Q | 32.3 | Very low | 34.4 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | cis | -153.3 | 174.9 | 19.3 | -148.5 | 147.2 | 75.6 | 0 | 0 | 114.6 | | |
| 780 | F | 30.8 | Very low | 34.9 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | -67.2 | 158.3 | 171.2 | -83.1 | -105.5 | 0 | 0 | 0 | 114.9 | | |
| 781 | S | 29.1 | Very low | 34.9 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | trans | 69.9 | 110.9 | 152.7 | -61.1 | 0 | 0 | 0 | 0 | 120 | | |
| 782 | R | 35.7 | Very low | 34.9 | Very low | 236 Ų | 236 | 153.7 Ų | 153.7 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | | -166.5 | 150 | 99.5 | -109.7 | 173.5 | -71.4 | -143.9 | 1.7 | 114.8 | | |
| 783 | H | 43.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 155.6 Ų | 155.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -95.6 | 162.7 | 168.2 | -2.7 | -86.8 | 0 | 0 | 0 | 109.7 | | |
| 784 | L | 33.9 | Very low | 35.1 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | 61.4 | 99.8 | 175.2 | -57.1 | 173.4 | 0 | 0 | 0 | 116.1 | | |
| 785 | T | 37.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | | -178.5 | 130.3 | 118.9 | -72.8 | 0 | 0 | 0 | 0 | 108.7 | P787 | T785-P787 WeakPolarHBondContact O-CD 3.47Š|
| 786 | R | 37.4 | Very low | 35.6 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | -90.2 | 113.3 | 170 | 175.8 | -174.4 | -174.9 | -169.6 | 6 | 108.5 | | |
| 787 | P | 39.4 | Very low | 35.7 | Very low | 101 Ų | 101 | 156 Ų | 156 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 144.2 | 162.3 | -12.5 | 28.9 | 0 | 0 | 0 | 109.3 | T785 | T785-P787 WeakPolarHBondContact O-CD 3.47Š|
| 788 | P | 40.1 | Very low | 35.7 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157.1 | 166.1 | 32.4 | -34.6 | 0 | 0 | 0 | 110.3 | | |
| 789 | P | 50.8 | Low | 35.5 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 68% | 0.675 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.3 | 166.4 | 28.4 | -34 | 0 | 0 | 0 | 110.5 | Y791 | P789-Y791 PolarHBondContact O-N 3.31Å; P789-Y791 VanDerWaalsContact O-N 3.12Å |
| 790 | D | 37.6 | Very low | 35.4 | Very low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | -63.3 | 108.2 | -176.1 | -93.7 | -82.6 | 0 | 0 | 0 | 113 | | |
| 791 | Y | 35.2 | Very low | 35.2 | Very low | 219 Ų | 219 | 149.6 Ų | 149.6 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -91.2 | 105.2 | 155 | -89.3 | -84.9 | 0 | 0 | 0 | 109.5 | P789 | P789-Y791 PolarHBondContact O-N 3.31Å; P789-Y791 VanDerWaalsContact O-N 3.12Å |
| 792 | K | 32 | Very low | 35.1 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | | | trans | -105.8 | 77.8 | 167.5 | -70.7 | -151.3 | 173.9 | 179.3 | 0 | 113 | | |
| 793 | Q | 34.4 | Very low | 34.5 | Very low | 186 Ų | 186 | 145.8 Ų | 145.8 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | | | trans | -61.5 | 134.3 | 160.6 | 178 | -169.7 | 26 | 0 | 0 | 111.8 | | |
| 794 | S | 32.1 | Very low | 33.9 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -170.1 | 156.8 | 145.2 | 64.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 795 | R | 32.6 | Very low | 33.6 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | | | cis | -144.5 | 155.2 | 11.3 | 179.4 | 178 | -71.6 | -112.3 | 0.9 | 109.7 | | |
| 796 | S | 33.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -113.2 | 149 | 170.6 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 797 | L | 37.8 | Very low | 34 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | trans | 162.9 | 143.9 | 139.8 | -87.2 | 158.7 | 0 | 0 | 0 | 111.4 | | |
| 798 | V | 33.3 | Very low | 33.3 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 31.9 | 130.3 | 149.7 | -172.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 799 | G | 27.3 | Very low | 32.8 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | cis | 123.2 | 155.7 | 17.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 800 | I | 30.3 | Very low | 31.8 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 87.3 | 122.7 | 165.7 | -55.9 | 179.7 | 0 | 0 | 0 | 119 | | |
| 801 | Q | 27.2 | Very low | 31.6 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | 63.8 | 152.2 | 162.4 | -71.9 | 176.8 | 69 | 0 | 0 | 117.7 | | |
| 802 | Q | 25.1 | Very low | 31.4 | Very low | 165 Ų | 165 | 144 Ų | 144 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | | | cis | -152.6 | 176.4 | -3.2 | -130 | -172.4 | 84.7 | 0 | 0 | 107.5 | | |
| 803 | A | 24.6 | Very low | 31.2 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -152.7 | -155.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 804 | N | 29.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | trans | -103.1 | 172.4 | 168 | -77.6 | -39.5 | 0 | 0 | 0 | 111.8 | | |
| 805 | I | 28.4 | Very low | 30.7 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | 133 | 114.9 | 143.8 | -67.8 | 161.4 | 0 | 0 | 0 | 114.9 | | |
| 806 | F | 31.3 | Very low | 30.5 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | | | trans | -86.6 | 171.1 | 157.3 | -90.5 | -89.8 | 0 | 0 | 0 | 109.2 | | |
| 807 | P | 52.5 | Low | 30.9 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | cis | -145.1 | -172.2 | 27.2 | 39.5 | -16.6 | 0 | 0 | 0 | 116.5 | | |
| 808 | D | 24.1 | Very low | 30.6 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 163.6 | 147 | 131.9 | -90.5 | -0.8 | 0 | 0 | 0 | 112.2 | | |
| 809 | F | 29.4 | Very low | 30.2 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | cis | -164.4 | 131.2 | -22.6 | -153.4 | -113.7 | 0 | 0 | 0 | 111.1 | | |
| 810 | Y | 29.4 | Very low | 30.6 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | 61.7 | 163.7 | 156.8 | -84.9 | -133.7 | 0 | 0 | 0 | 119.7 | | |
| 811 | V | 33.2 | Very low | 30.8 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | | | cis | -171.1 | 159.3 | -32.3 | 77.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 812 | S | 30.9 | Very low | 31.1 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | -124.9 | -133.3 | 5 | -155.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 813 | L | 29.5 | Very low | 31.2 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | cis | -150 | 139.5 | -0.1 | -166.1 | 64.4 | 0 | 0 | 0 | 105.5 | | |
| 814 | G | 27.7 | Very low | 31.1 | Very low | 60 Ų | 60 | 138.2 Ų | 138.2 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | | 74.4 | 119.6 | 71.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 815 | Q | 26.9 | Very low | 32 | Very low | 204 Ų | 204 | 136 Ų | 136 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | | | cis | -150.3 | 173.6 | 6.5 | -68 | 175.3 | -45.6 | 0 | 0 | 111.7 | | |
| 816 | N | 30 | Very low | 32.1 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | | | trans | -124.2 | 152.7 | 172.9 | -144.2 | -35.2 | 0 | 0 | 0 | 107.6 | | |
| 817 | P | 40.3 | Very low | 32 | Very low | 126 Ų | 126 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | | -155.1 | -176.4 | 95 | 40.8 | -21.6 | 0 | 0 | 0 | 115.7 | | |
| 818 | A | 31.2 | Very low | 30.7 | Very low | 84 Ų | 84 | 132.2 Ų | 132.2 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | -103.2 | 164 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 819 | Q | 26 | Very low | 31.1 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | | | trans | -178 | 151.8 | 139.8 | -102.9 | 162.9 | 34.9 | 0 | 0 | 113.4 | | |
| 820 | S | 35.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | -88.2 | 153.5 | 161 | -43.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 821 | P | 35.7 | Very low | 31 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | | | | -150.1 | -160.9 | 63.5 | 41.8 | -20.6 | 0 | 0 | 0 | 115 | | |
| 822 | N | 32.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 130 Ų | 130 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | | | trans | -55.6 | 142.3 | 173.5 | -72.5 | -35.9 | 0 | 0 | 0 | 113.8 | | |
| 823 | N | 26.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | | -175.4 | 157.3 | 119 | -92.8 | -29.3 | 0 | 0 | 0 | 111.4 | | |
| 824 | G | 23.4 | Very low | 30.3 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | | | trans | -90.2 | -155.5 | 157 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 825 | P | 46.8 | Very low | 30.2 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -141.3 | -164.8 | 4.9 | 41.5 | -20.6 | 0 | 0 | 0 | 113.7 | | |
| 826 | D | 30.3 | Very low | 30.1 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 65.7 | 154.4 | 141.7 | -74.2 | 12.6 | 0 | 0 | 0 | 121.9 | | |
| 827 | N | 30.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | | | cis | -166.6 | 174.8 | -28.6 | -117.2 | -30.1 | 0 | 0 | 0 | 109.9 | | |
| 828 | N | 25.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | 129.1 | 119.5 | 154.9 | -77.9 | -81.4 | 0 | 0 | 0 | 111.9 | | |
| 829 | L | 31.2 | Very low | 29.3 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | S | Bend | cis | -149.3 | 137.6 | -8.4 | -83.5 | 167.4 | 0 | 0 | 0 | 109 | | |
| 830 | Q | 30.8 | Very low | 29.8 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | | -177 | 132.5 | 111.6 | -129.4 | 73.2 | 63.6 | 0 | 0 | 111.1 | | |
| 831 | S | 25.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -36.4 | 136.6 | 178.1 | -36.4 | 0 | 0 | 0 | 0 | 116 | | |
| 832 | I | 30.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | cis | 73.7 | 108.2 | 30.4 | -45.6 | 174 | 0 | 0 | 0 | 115.4 | | |
| 833 | S | 23.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -163.1 | 156.5 | 143.8 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 834 | C | 24.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | | | trans | -127.7 | 157.2 | -171.8 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 835 | Q | 26 | Very low | 28.9 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -176.4 | -175.3 | 134.7 | -104.3 | 174.6 | 67.8 | 0 | 0 | 114.8 | | |
| 836 | L | 26.1 | Very low | 28.5 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -89.7 | 161.6 | -158.7 | -68.7 | 71 | 0 | 0 | 0 | 115.1 | | |
| 837 | S | 23.8 | Very low | 29.1 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 33.8 | 117.9 | 137.7 | -170.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 838 | S | 26.8 | Very low | 30.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -161.6 | 119 | 138.9 | -81.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 839 | G | 33.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | trans | -86.2 | 156.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 840 | P | 37.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | | | | -153.2 | 168.6 | 98.1 | 39.7 | -22.3 | 0 | 0 | 0 | 117 | | |
| 841 | T | 24.7 | Very low | 31 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 47.9 | 112.1 | 146.7 | 52.9 | 0 | 0 | 0 | 0 | 122 | | |
| 842 | S | 26.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | | 33.7 | 136.7 | 105.5 | -74.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 843 | K | 23.7 | Very low | 31.4 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | 77.8 | 154.6 | 165 | -57 | 159.8 | -175.6 | 177 | 0 | 113.4 | | |
| 844 | M | 29.8 | Very low | 31.7 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | cis | -150.3 | 153.1 | 13.7 | -136.7 | 142.5 | 85 | 0 | 0 | 112.2 | | |
| 845 | S | 30.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -81.3 | 168.8 | 150.9 | -39.2 | 0 | 0 | 0 | 0 | 109 | | |
| 846 | P | 38.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | cis | -140.2 | -155.4 | 8.7 | 43.9 | -23.3 | 0 | 0 | 0 | 114.5 | | |
| 847 | L | 42.2 | Very low | 33.1 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -37.5 | 172.3 | 161.2 | -100.5 | 72.5 | 0 | 0 | 0 | 117.3 | | |
| 848 | P | 52.5 | Low | 33.4 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | | | cis | -144.6 | -176 | 30 | 41.9 | -21.4 | 0 | 0 | 0 | 119.7 | | |
| 849 | S | 35.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 81.9 | 135.8 | 156.1 | -60.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 850 | D | 33.2 | Very low | 33.1 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | cis | -155.1 | 157.6 | -4.5 | -162.4 | 8.4 | 0 | 0 | 0 | 112.5 | | |
| 851 | R | 36.5 | Very low | 33.6 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | 46.4 | 127.1 | 161.9 | -77 | 162.2 | -139.7 | -112.6 | -1.7 | 119.9 | | |
| 852 | R | 34.6 | Very low | 33.6 | Very low | 239 Ų | 239 | 143 Ų | 143 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | cis | -152.9 | 163.4 | 31.9 | -68.5 | -170.9 | -106.3 | -115.6 | -4.2 | 113.9 | | |
| 853 | F | 30.2 | Very low | 33.8 | Very low | 206 Ų | 206 | 143.5 Ų | 143.5 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -82.9 | 175 | 174.6 | -55.9 | -94.8 | 0 | 0 | 0 | 112 | | |
| 854 | G | 29.4 | Very low | 33.9 | Very low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | cis | 156.6 | 167.3 | 8.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 855 | I | 29.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | cis | -154.4 | 153 | 22 | -76.6 | 174.7 | 0 | 0 | 0 | 109.7 | | |
| 856 | R | 31.9 | Very low | 33.7 | Very low | 194 Ų | 194 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | trans | -119.4 | 144.4 | 156.2 | -172.1 | -140.4 | 175.1 | 146.4 | -0.9 | 106.7 | D858 | R856-D858 IonicContact CZ-OD1 3.54Å; R856-D858 IonicContact CZ-OD2 2.77Å; R856-D858 IonicContact NE-OD1 2.83Å; R856-D858 IonicContact NE-OD2 2.75Å; R856-D858 PolarHBondContact NE-OD2 2.86Å; R856-D858 IonicContact NH2-OD1 3.17Å; R856-D858 PolarHBondContact NH2-OD1 3.41Å; R856-D858 IonicContact NH2-OD2 3.56Å; R856-D858 PolarHBondContact NH2-OD2 3.5Å |
| 857 | P | 44.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | | -152.5 | 171.2 | 107.2 | 39.2 | -21.4 | 0 | 0 | 0 | 115.8 | | |
| 858 | D | 31.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | | | trans | -82.4 | 173.9 | 170.2 | -35.8 | -106.6 | 0 | 0 | 0 | 111.5 | R856 | R856-D858 IonicContact CZ-OD1 3.54Å; R856-D858 IonicContact CZ-OD2 2.77Å; R856-D858 IonicContact NE-OD1 2.83Å; R856-D858 IonicContact NE-OD2 2.75Å; R856-D858 PolarHBondContact NE-OD2 2.86Å; R856-D858 IonicContact NH2-OD1 3.17Å; R856-D858 PolarHBondContact NH2-OD1 3.41Å; R856-D858 IonicContact NH2-OD2 3.56Å; R856-D858 PolarHBondContact NH2-OD2 3.5Å |
| 859 | C | 24.8 | Very low | 31.4 | Very low | 125 Ų | 125 | 143 Ų | 143 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -154.3 | 117.6 | 174.5 | -135.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 860 | H | 27.2 | Very low | 31.2 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | -156.7 | 154.5 | 159.4 | -74.4 | -60.3 | 0 | 0 | 0 | 106.8 | | |
| 861 | P | 48.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -128.2 | -163.4 | -25.2 | 35.3 | -15.1 | 0 | 0 | 0 | 112.1 | | |
| 862 | S | 25.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | 91 | 104.8 | 155.4 | -49 | 0 | 0 | 0 | 0 | 121.9 | | |
| 863 | S | 29.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | | 76.6 | 131.3 | 123.5 | -153 | 0 | 0 | 0 | 0 | 124.9 | | |
| 864 | C | 26.7 | Very low | 30.3 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | trans | 68.2 | 125.5 | 139.6 | 66.5 | 0 | 0 | 0 | 0 | 126.4 | | |
| 865 | I | 28.9 | Very low | 30.2 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | | | trans | 84.8 | 143.7 | 140.2 | -99.7 | 65.9 | 0 | 0 | 0 | 121.4 | | |
| 866 | G | 28.5 | Very low | 30.2 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 89 | 121 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 867 | Q | 28.9 | Very low | 30.2 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | cis | 111 | 132.8 | 12.4 | -158.2 | -172.3 | 11 | 0 | 0 | 113.6 | | |
| 868 | F | 28 | Very low | 29.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | 66.1 | 136.9 | -174.1 | -54.6 | -77.8 | 0 | 0 | 0 | 114.9 | | |
| 869 | Q | 26.8 | Very low | 29.5 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | 98.2 | 113.6 | 20.2 | -172.1 | 164.4 | -16.9 | 0 | 0 | 115.5 | | |
| 870 | Q | 30.6 | Very low | 29.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | trans | 52.3 | 126.9 | 161.1 | -74 | 172.1 | -56.9 | 0 | 0 | 119.5 | | |
| 871 | Q | 27.6 | Very low | 29.6 | Very low | 198 Ų | 198 | 139.2 Ų | 139.2 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | | | | -157 | 170.4 | 107.6 | -110.3 | -178.3 | 28 | 0 | 0 | 112.7 | | |
| 872 | N | 28.3 | Very low | 28.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | | | trans | -154.9 | 124.6 | -170.5 | 170.8 | -0.3 | 0 | 0 | 0 | 110 | H874 | N872-H874 PolarHBondContact OD1-CE1 2.82Å; N872-H874 PolarHBondContact OD1-ND1 2.82Å |
| 873 | S | 27.5 | Very low | 28.7 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -150 | 119.7 | 163.1 | 45.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 874 | H | 33 | Very low | 29.9 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | cis | 97.2 | 118.8 | 41.9 | -84.7 | 72.7 | 0 | 0 | 0 | 114.3 | N872 | N872-H874 PolarHBondContact OD1-CE1 2.82Å; N872-H874 PolarHBondContact OD1-ND1 2.82Å |
| 875 | G | 27.9 | Very low | 29.9 | Very low | 75 Ų | 75 | 149.3 Ų | 149.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | 159.1 | 124.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 876 | R | 29.1 | Very low | 29.9 | Very low | 226 Ų | 226 | 150 Ų | 150 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | cis | -148.7 | 146.3 | 4.3 | -117.8 | -175.7 | 159.9 | -152.8 | -2.1 | 110 | | |
| 877 | I | 31 | Very low | 29.9 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | 48.3 | 116.3 | 144.7 | -54.9 | 163.4 | 0 | 0 | 0 | 118.7 | | |
| 878 | G | 30.2 | Very low | 30 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -174.9 | 131.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 879 | L | 31.8 | Very low | 30.6 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -106.5 | 163.7 | -167.3 | -78.9 | 171.2 | 0 | 0 | 0 | 114.7 | | |
| 880 | S | 26.3 | Very low | 30.6 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | 100.4 | 167.1 | 152.6 | 82.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 881 | Q | 27.5 | Very low | 30.6 | Very low | 173 Ų | 173 | 143 Ų | 143 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | -114.7 | 178.7 | -148 | -56.6 | -179.2 | 8.5 | 0 | 0 | 114.2 | | |
| 882 | S | 25.7 | Very low | 30.7 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | 73.4 | 109.6 | 139 | 59.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 883 | K | 28.9 | Very low | 30.7 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -52.4 | 170.5 | 136.4 | -67.7 | 172.9 | 175.8 | 174.8 | 0 | 111.1 | | |
| 884 | P | 55.8 | Low | 30.7 | Very low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | | | cis | -136.2 | 174.5 | -38.4 | 38.4 | -23.9 | 0 | 0 | 0 | 112.2 | | |
| 885 | R | 26 | Very low | 30.5 | Very low | 231 Ų | 231 | 141.4 Ų | 141.4 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -157.6 | 154 | 146 | -152.8 | 141.5 | -69.6 | -173.1 | -2.9 | 114.9 | | |
| 886 | F | 27.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | | | trans | -52.6 | 151.2 | 169.6 | -70 | -111.9 | 0 | 0 | 0 | 113.8 | | |
| 887 | L | 29.7 | Very low | 30.3 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | | -172.1 | 148.8 | 105.8 | -96.9 | 163.8 | 0 | 0 | 0 | 112.3 | | |
| 888 | A | 31.3 | Very low | 30.6 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | | | trans | -109.8 | 154.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 889 | P | 39.5 | Very low | 30.8 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | | -133.8 | -147.8 | 53 | 46.3 | -29 | 0 | 0 | 0 | 110 | | |
| 890 | G | 27.2 | Very low | 30.8 | Very low | 56 Ų | 56 | 140.9 Ų | 140.9 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | | | cis | 157.8 | 94.5 | 6.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 891 | T | 30.1 | Very low | 31 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | 42.6 | 113.3 | 154.1 | 57.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 892 | Q | 29.2 | Very low | 31.1 | Very low | 200 Ų | 200 | 138.6 Ų | 138.6 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | | 163.5 | 141 | 113.2 | -87.4 | -174.9 | 27.3 | 0 | 0 | 113 | | |
| 893 | G | 28.7 | Very low | 31.4 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 114 | 94.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 894 | K | 28.9 | Very low | 31.6 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | 39.1 | 118 | 134.8 | -54.3 | 170.8 | -173.9 | 175.7 | 0 | 119.2 | | |
| 895 | S | 28.3 | Very low | 30.3 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | | 60.6 | 133.8 | 81.9 | -160.2 | 0 | 0 | 0 | 0 | 114 | | |
| 896 | F | 25 | Very low | 30.3 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 89% | 0.886 | 77% | 0.773 | S | S | * | * | | | cis | -130.6 | -172.8 | 36.1 | -58.4 | -100.4 | 0 | 0 | 0 | 111.9 | | |
| 897 | G | 27.5 | Very low | 30.9 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | | | cis | -163.4 | -170.1 | 2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 898 | M | 36.3 | Very low | 31.3 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | cis | -177.5 | 159.7 | 24.7 | -106.9 | 155.1 | 64 | 0 | 0 | 104.9 | | |
| 899 | N | 35.7 | Very low | 31.8 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | cis | -156.4 | 165.1 | 24.8 | -86.1 | -39.9 | 0 | 0 | 0 | 106.1 | | |
| 900 | N | 31.8 | Very low | 31.4 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | | | cis | -172.8 | 167.4 | -7.3 | -103.7 | -9.8 | 0 | 0 | 0 | 106.5 | | |
| 901 | V | 30.9 | Very low | 31.9 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | | | cis | -156.6 | 154.7 | 3 | 93.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 902 | T | 29.1 | Very low | 31.7 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | 54.3 | 140.8 | 164.8 | 57.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 903 | G | 32.7 | Very low | 31.9 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | 133.1 | 76.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 904 | V | 32 | Very low | 31.9 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 86.7 | 111.7 | 82.5 | 171.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 905 | Q | 28 | Very low | 31.9 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | trans | 75 | 102.7 | 147.5 | -158.8 | 158.9 | -4.2 | 0 | 0 | 122.2 | | |
| 906 | H | 25.7 | Very low | 31.9 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 88% | 0.884 | 75% | 0.751 | S | S | * | * | | | trans | -61.6 | 127.7 | 145.5 | -102.5 | -81.2 | 0 | 0 | 0 | 111.1 | | |
| 907 | Q | 40.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 75% | 0.748 | S | S | * | * | | | trans | -179.1 | 140.6 | 147.9 | -101.1 | 155.7 | 1.8 | 0 | 0 | 108.2 | | |
| 908 | R | 38.1 | Very low | 32.2 | Very low | 220 Ų | 220 | 136.9 Ų | 136.9 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | cis | -157.2 | 132.7 | -4.2 | 158.2 | -173.1 | -82.9 | -139.6 | -0.5 | 108.3 | | |
| 909 | A | 42.2 | Very low | 32.6 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | | | trans | 45.9 | 160 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 910 | T | 31.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | cis | -156.3 | 160.6 | 14.5 | -25.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 911 | A | 36.6 | Very low | 32.3 | Very low | 82 Ų | 82 | 135.9 Ų | 135.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | 39.3 | 142.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 912 | D | 27.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | cis | -173.5 | 179.7 | -13.8 | -135.4 | -52.6 | 0 | 0 | 0 | 111.4 | | |
| 913 | L | 32.3 | Very low | 32.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | trans | 61.2 | 137.7 | 149.1 | -69.5 | 162.9 | 0 | 0 | 0 | 123.1 | | |
| 914 | H | 29.4 | Very low | 31.8 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | trans | 71.2 | 163.8 | 151.3 | -75.5 | -156.1 | 0 | 0 | 0 | 119.3 | | |
| 915 | S | 28.2 | Very low | 31.6 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | cis | 155.7 | 142.6 | -35.1 | -89.3 | 0 | 0 | 0 | 0 | 110 | | |
| 916 | S | 29.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | | | trans | 73.5 | 159.8 | 164.6 | -75.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 917 | R | 24.4 | Very low | 31.7 | Very low | 214 Ų | 214 | 131.7 Ų | 131.7 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | cis | -176.5 | 101.2 | -29.8 | -177.1 | 165.7 | -165.7 | -143.4 | 4.3 | 114.6 | | |
| 918 | V | 34.1 | Very low | 31.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | 53.1 | -171.3 | 155.6 | -61.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 919 | P | 45.5 | Very low | 30.5 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | | | | -129.9 | -141 | -77.8 | 42.4 | -24.4 | 0 | 0 | 0 | 114 | | |
| 920 | V | 28.7 | Very low | 29.8 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 92.5 | 147.9 | 173 | -176.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 921 | Q | 30.7 | Very low | 29.4 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | | 179.2 | 151.6 | -52.2 | -106.9 | -176.5 | 16.2 | 0 | 0 | 108.7 | | |
| 922 | N | 27.7 | Very low | 29.1 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 63.1 | 171.4 | 164.4 | -67.2 | -18 | 0 | 0 | 0 | 119.8 | | |
| 923 | L | 29.3 | Very low | 29 | Very low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | | -172.2 | 145.5 | -53 | -159.9 | 74.1 | 0 | 0 | 0 | 109.7 | | |
| 924 | G | 25.3 | Very low | 28.7 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 112.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 925 | G | 28.1 | Very low | 28.7 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | -86.3 | -160.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 926 | S | 30.1 | Very low | 29 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | | | trans | -160 | 175 | 150.5 | -162.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 927 | M | 25.3 | Very low | 28.9 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 58% | 0.576 | 79% | 0.792 | S | S | * | * | | | trans | -124 | 151.9 | -168.7 | -64.5 | -176.5 | 67.6 | 0 | 0 | 114.9 | Q151 | Q151-M927 HydrophobicContact CG-SD 4.5Å; Q151-M927 PolarHBondContact NE2-SD 3.2Å |
| 928 | T | 29 | Very low | 29.2 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | | | trans | 43.9 | 112.2 | 142.7 | 56.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 929 | N | 24.4 | Very low | 29.2 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | | -162.1 | 173.5 | 109.5 | -111.1 | -86.8 | 0 | 0 | 0 | 108.4 | | |
| 930 | V | 27.4 | Very low | 28.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | cis | -146.8 | 158.7 | 41.5 | 170.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 931 | S | 23.4 | Very low | 28.3 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 80% | 0.796 | S | S | * | * | | | trans | -34.5 | 164.1 | 172.4 | -47.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 932 | L | 31.2 | Very low | 28.2 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | trans | -28.7 | 154.8 | 160 | -55.5 | 82.2 | 0 | 0 | 0 | 118.5 | | |
| 933 | G | 25.7 | Very low | 28.2 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -171 | 129.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 934 | W | 26.4 | Very low | 28.1 | Very low | 268 Ų | 268 | 124 Ų | 124 | 100% | 1.015 | 80% | 0.801 | S | S | * | * | | | trans | -104.5 | 149.3 | 171.9 | -78.9 | 44.1 | 0 | 0 | 0 | 110.1 | | |
| 935 | G | 27.9 | Very low | 28.4 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 172 | 143.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 936 | S | 35 | Very low | 28.7 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -139.5 | 128.2 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 937 | A | 28.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -156.6 | 173.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 938 | N | 29.1 | Very low | 28.8 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | | | trans | -107.9 | 143 | -158.8 | -98.7 | -79.6 | 0 | 0 | 0 | 116.9 | | |
| 939 | K | 35.4 | Very low | 30.2 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | | | trans | 66.5 | 129 | 138.2 | -74.6 | -178.7 | 179.7 | -174.8 | 0 | 124.5 | | |
| 940 | Q | 27.9 | Very low | 30.3 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 73.2 | 148.3 | 147.2 | -64.5 | 177.1 | -6.1 | 0 | 0 | 116.7 | | |
| 941 | V | 27.2 | Very low | 31.9 | Very low | 139 Ų | 139 | 141 Ų | 141 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | | -152.8 | 161.5 | 53.4 | 159.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 942 | A | 27.6 | Very low | 32.2 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | -31.5 | 154.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 943 | A | 29 | Very low | 32.8 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | | | | -169.1 | 150.5 | 121.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 944 | G | 26.8 | Very low | 33 | Very low | 72 Ų | 72 | 150.2 Ų | 150.2 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | cis | -168.7 | -173 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 945 | L | 31.2 | Very low | 33.3 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | | | trans | -139.9 | 164.4 | -176.4 | -100.3 | 169.3 | 0 | 0 | 0 | 114.2 | | |
| 946 | R | 35.4 | Very low | 33.4 | Very low | 225 Ų | 225 | 145.2 Ų | 145.2 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | | | trans | -64.1 | 170.6 | -168.8 | -55.8 | 177.3 | -77.9 | -150.4 | -1.1 | 113.8 | | |
| 947 | R | 30.4 | Very low | 33.1 | Very low | 223 Ų | 223 | 144.9 Ų | 144.9 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | cis | 177.1 | 157.1 | 43.1 | -171.4 | -171.6 | -169.9 | -175 | 3.4 | 111.2 | | |
| 948 | L | 26.6 | Very low | 33.1 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 177.2 | 164.6 | 135.8 | -116.5 | 67.8 | 0 | 0 | 0 | 114.3 | | |
| 949 | P | 58.9 | Low | 32.9 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | trans | -139.8 | -175.8 | -173.7 | 44.8 | -27.9 | 0 | 0 | 0 | 119.1 | | |
| 950 | N | 25.5 | Very low | 32.5 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | 90.8 | 163.2 | 155.6 | -104.9 | 22.4 | 0 | 0 | 0 | 120.6 | | |
| 951 | P | 60.7 | Low | 33.4 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | | | | -140.4 | -170.5 | -123.1 | 41.8 | -19.4 | 0 | 0 | 0 | 118.7 | | |
| 952 | L | 29.9 | Very low | 33.4 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | | | trans | 109.6 | 126.1 | 163.7 | -66.6 | 175.2 | 0 | 0 | 0 | 118.5 | | |
| 953 | Q | 43.1 | Very low | 33.5 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -159.3 | 175.4 | 161.9 | -133.2 | -165.2 | 60.1 | 0 | 0 | 109.2 | | |
| 954 | L | 30.2 | Very low | 34.2 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | -126 | 122.2 | -171.4 | -158.4 | 83.8 | 0 | 0 | 0 | 113.3 | | |
| 955 | Q | 33.2 | Very low | 34.2 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 49.9 | 123 | 154.1 | -154.2 | 68.8 | 12.3 | 0 | 0 | 121.3 | | |
| 956 | G | 30.1 | Very low | 34.1 | Very low | 69 Ų | 69 | 151.9 Ų | 151.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 170.7 | 46 | 166.7 | 0 | 0 | 0 | 0 | 0 | 125.1 | | |
| 957 | V | 28.1 | Very low | 33.8 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | 52.5 | 111.8 | 139.8 | -179.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 958 | Q | 28.4 | Very low | 33.8 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | 70.9 | 151.1 | 139.9 | -70.3 | -170.3 | 148.4 | 0 | 0 | 127.2 | | |
| 959 | D | 24.7 | Very low | 34 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | | | trans | 87.3 | 97.1 | 144.2 | -89.8 | -58 | 0 | 0 | 0 | 125.7 | | |
| 960 | L | 26.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | | 58.7 | -158.9 | 129.5 | -139.5 | 74.2 | 0 | 0 | 0 | 119.3 | | |
| 961 | P | 47.7 | Very low | 32.8 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | | -120.8 | 166.2 | -125.7 | 42.2 | -26.6 | 0 | 0 | 0 | 116.3 | | |
| 962 | N | 27.3 | Very low | 32.8 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | -179.3 | 178.4 | 130.3 | -111.5 | -78.3 | 0 | 0 | 0 | 116.9 | | |
| 963 | H | 30.8 | Very low | 33.8 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 78% | 0.778 | 76% | 0.76 | S | S | * | * | | | trans | -73 | -152.7 | 159.4 | -50.4 | -82.7 | 0 | 0 | 0 | 110.4 | | |
| 964 | P | 43.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -146.6 | 172.1 | -7.3 | 36.4 | -12.9 | 0 | 0 | 0 | 119.2 | | |
| 965 | Y | 26.4 | Very low | 33.4 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | 70.7 | 158.2 | 133.6 | -88.4 | -131.6 | 0 | 0 | 0 | 126.8 | | |
| 966 | Q | 28.9 | Very low | 33.3 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | | | trans | 54.6 | 143.9 | 160.3 | -54.8 | -43.5 | 18.5 | 0 | 0 | 122.6 | | |
| 967 | Q | 29 | Very low | 33.1 | Very low | 141 Ų | 141 | 139 Ų | 139 | 66% | 0.659 | 75% | 0.745 | S | S | * | * | | | cis | 94.2 | 110.9 | 18.8 | -168.5 | -160.2 | 76.6 | 0 | 0 | 117.2 | | |
| 968 | R | 29.4 | Very low | 34.6 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | | | trans | 160.4 | 140 | 139.8 | -89 | -171 | -172.2 | -113.1 | 3.4 | 109.9 | | |
| 969 | H | 30.9 | Very low | 34.7 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | | | | 79.3 | 118.9 | 56.1 | -99.3 | -68.7 | 0 | 0 | 0 | 116.2 | | |
| 970 | V | 31 | Very low | 35 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | | | trans | -178 | 166.6 | 142.2 | 143 | 0 | 0 | 0 | 0 | 110 | | |
| 971 | G | 28.8 | Very low | 35 | Very low | 63 Ų | 63 | 132.9 Ų | 132.9 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | trans | -113.1 | -162.4 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 972 | P | 61.8 | Low | 34.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -99.8 | -177.7 | -159.5 | 42.4 | -40 | 0 | 0 | 0 | 115.1 | | |
| 973 | P | 50.2 | Low | 35.4 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | | | | -161.3 | 171.6 | 97.2 | 42.9 | -23.6 | 0 | 0 | 0 | 119.8 | | |
| 974 | N | 33.6 | Very low | 35.4 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | 71.1 | 163.1 | 143.2 | -75.7 | -11.2 | 0 | 0 | 0 | 121.3 | | |
| 975 | Q | 30.4 | Very low | 34.7 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | | | cis | -165.1 | 169 | 6.8 | -128.3 | 171.9 | 111 | 0 | 0 | 115.1 | | |
| 976 | V | 31.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 130 Ų | 130 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 80.2 | 148.1 | 147.8 | 166.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 977 | A | 26.7 | Very low | 34.8 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -162.6 | -168.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 978 | P | 58.3 | Low | 34.8 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | cis | -143.5 | -151.2 | -2.5 | 42.5 | -18.8 | 0 | 0 | 0 | 115.2 | | |
| 979 | D | 30.9 | Very low | 34.7 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 107.1 | 151.7 | 142.2 | -133.9 | -9.4 | 0 | 0 | 0 | 124.4 | | |
| 980 | A | 31.4 | Very low | 34.8 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | 79.6 | 134.2 | 156 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 981 | G | 27.4 | Very low | 34.6 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | | | trans | 132 | 124.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 982 | M | 29.2 | Very low | 34.6 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | | | trans | -164.2 | 172.6 | 171.8 | -92 | -67.8 | -96.1 | 0 | 0 | 109.1 | | |
| 983 | P | 54.5 | Low | 33.8 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 61% | 0.61 | 78% | 0.775 | S | S | * | * | | | cis | -137.3 | -150.4 | -21.9 | 33.7 | -8.6 | 0 | 0 | 0 | 113.9 | | |
| 984 | T | 29.9 | Very low | 32.7 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | 82.9 | 162.7 | 162 | 75.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 985 | L | 29.9 | Very low | 32.6 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | cis | -173.4 | 145.8 | -43 | -177.4 | 65.7 | 0 | 0 | 0 | 111.8 | | |
| 986 | G | 29.5 | Very low | 32.4 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 102.1 | 160.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 987 | D | 27 | Very low | 32.2 | Very low | 161 Ų | 161 | 127 Ų | 127 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | cis | -162.8 | 167.8 | -9.2 | -171.4 | 25.6 | 0 | 0 | 0 | 112.1 | | |
| 988 | A | 28.9 | Very low | 32.3 | Very low | 86 Ų | 86 | 131.4 Ų | 131.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 58 | 126.6 | 155 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 989 | G | 27.7 | Very low | 30.8 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | | 107.7 | 106.5 | 108.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 990 | Q | 32.8 | Very low | 30.8 | Very low | 198 Ų | 198 | 127.5 Ų | 127.5 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | 61.7 | 169.3 | 141.7 | -70.4 | 149.5 | -95.2 | 0 | 0 | 122.1 | | |
| 991 | A | 27.2 | Very low | 31.4 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | | | cis | -169.9 | 143.2 | -49.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 992 | R | 27.7 | Very low | 31.7 | Very low | 236 Ų | 236 | 130.2 Ų | 130.2 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | 61 | 178.7 | 157.4 | -99.4 | -178.8 | 165.7 | 170.1 | -4 | 117.9 | | |
| 993 | P | 46.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | cis | -112.7 | 164.1 | -23.6 | 10.7 | 14.4 | 0 | 0 | 0 | 112.5 | | |
| 994 | S | 26.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | | 57.9 | 145.7 | 85.1 | -35.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 995 | Q | 31.1 | Very low | 31.2 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | cis | -171.6 | 149.1 | 20.3 | -144.7 | 167.9 | 6.4 | 0 | 0 | 113.5 | | |
| 996 | A | 26.6 | Very low | 31.1 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | 57.7 | 172.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 997 | M | 27.1 | Very low | 31 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 82% | 0.823 | 78% | 0.776 | S | S | * | * | | | cis | -158.6 | 158.6 | -0.3 | -147.6 | 172.6 | 174.4 | 0 | 0 | 113.6 | | |
| 998 | M | 28.2 | Very low | 30.9 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | 65.2 | 147.1 | 163.1 | -59.1 | -149.9 | -70 | 0 | 0 | 119.5 | | |
| 999 | G | 26.2 | Very low | 30.6 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | cis | -176.9 | 175.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1000 | C | 30.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -114.7 | 166.2 | 173.6 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1001 | P | 44.6 | Very low | 30 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | | | | -140.6 | 164 | 123.5 | 36.5 | -24.1 | 0 | 0 | 0 | 114.7 | | |
| 1002 | S | 34.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -107.8 | 179.1 | 173.2 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1003 | P | 41.3 | Very low | 30.6 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | | -128.1 | 136.8 | 108.9 | 35.5 | -29.5 | 0 | 0 | 0 | 112.1 | | |
| 1004 | L | 34.3 | Very low | 29.7 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | | 65.3 | 127.9 | 72.1 | -114.5 | 77.2 | 0 | 0 | 0 | 113.8 | | |
| 1005 | G | 26.1 | Very low | 29.6 | Very low | 61 Ų | 61 | 132.2 Ų | 132.2 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | -152.4 | 159.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1006 | N | 28.7 | Very low | 29.5 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | | 63.5 | 135.8 | 70.8 | -74.1 | -1.9 | 0 | 0 | 0 | 114.3 | | |
| 1007 | L | 26.9 | Very low | 30 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | cis | -163.6 | 150.8 | -2.4 | -111.8 | 164.7 | 0 | 0 | 0 | 111.6 | | |
| 1008 | S | 24.8 | Very low | 30.1 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | 70.3 | 147.4 | 142.5 | -70.1 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1009 | Q | 24.3 | Very low | 30 | Very low | 190 Ų | 190 | 123.1 Ų | 123.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | trans | 107.4 | 136.9 | 138.1 | -93.2 | 174.8 | 91.8 | 0 | 0 | 121.8 | | |
| 1010 | A | 24.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 76.4 | 116.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1011 | S | 21.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | -65.3 | 165.7 | 143.6 | -138.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1012 | P | 44.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | cis | -148.4 | -163.3 | 29.4 | 42.1 | -19.5 | 0 | 0 | 0 | 117.2 | | |
| 1013 | E | 24.2 | Very low | 29 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | 99.6 | 131.8 | 143.4 | -94.5 | -169.8 | 96.7 | 0 | 0 | 122.9 | | |
| 1014 | Q | 27.7 | Very low | 28.4 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | 70.4 | 154.3 | 149.4 | -64.6 | -172.6 | 36.3 | 0 | 0 | 122 | | |
| 1015 | R | 25.4 | Very low | 28 | Very low | 204 Ų | 204 | 125 Ų | 125 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | | | cis | -174.1 | 102.1 | -29.8 | -175.4 | -179.2 | -167 | 107.6 | 4.1 | 113.1 | | |
| 1016 | V | 29.3 | Very low | 29 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 62.4 | -177.4 | 148.8 | -177.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1017 | P | 36.9 | Very low | 28.8 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | cis | -96.1 | 171.8 | -43.6 | 21.7 | -0.7 | 0 | 0 | 0 | 112.4 | | |
| 1018 | A | 29.2 | Very low | 29 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | cis | 88.1 | 148 | 17.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1019 | A | 25.3 | Very low | 29.1 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | 68.3 | 155.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1020 | S | 22.6 | Very low | 29.1 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | cis | -168.9 | 158.7 | -26.7 | 179.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1021 | F | 35.7 | Very low | 29.2 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -63.3 | 156.8 | 160.4 | -55.9 | -90 | 0 | 0 | 0 | 111.6 | | |
| 1022 | P | 31.4 | Very low | 29.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | | -139.7 | 160 | 101.1 | 42.9 | -31.5 | 0 | 0 | 0 | 112.6 | | |
| 1023 | D | 25.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | cis | 78.3 | 135 | 26.8 | -144.8 | 37.5 | 0 | 0 | 0 | 113.2 | | |
| 1024 | A | 28.1 | Very low | 28.6 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 53% | 0.529 | 77% | 0.766 | S | S | . | * | | | cis | -156.9 | 161.9 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1025 | S | 25.9 | Very low | 29.1 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | 64.6 | 175 | 140.5 | -68.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1026 | P | 46.5 | Very low | 29.1 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | cis | -126.7 | 169.6 | -17.4 | 22.4 | -0.1 | 0 | 0 | 0 | 115.2 | | |
| 1027 | G | 25.6 | Very low | 29.1 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -161.1 | 113.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1028 | S | 30.7 | Very low | 28.8 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -76.9 | 162.3 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1029 | S | 26.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | cis | -167 | -175.7 | 16.1 | -132.6 | 0 | 0 | 0 | 0 | 109 | | |
| 1030 | S | 25 | Very low | 29.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | | | cis | -160.7 | 162.2 | 1.4 | 42.5 | 0 | 0 | 0 | 0 | 111 | | |
| 1031 | Y | 25.9 | Very low | 29.2 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | 61 | 156.4 | 167.3 | -59.5 | -74.9 | 0 | 0 | 0 | 119.2 | | |
| 1032 | Q | 25.7 | Very low | 29 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | | -144.5 | 161.5 | -62.6 | -135.3 | -164.8 | 4.4 | 0 | 0 | 110.7 | | |
| 1033 | N | 27.2 | Very low | 28.9 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | trans | -74.5 | 143.9 | -172.8 | -171.5 | 9.3 | 0 | 0 | 0 | 113.2 | R1035 | N1033-R1035 PolarHBondContact OD1-N 2.86Š|
| 1034 | N | 25.3 | Very low | 29.9 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | | -170.8 | 106.5 | 120.1 | -103.8 | -70.5 | 0 | 0 | 0 | 112.8 | | |
| 1035 | R | 36.8 | Very low | 30.3 | Very low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | | | trans | -102.1 | 129.6 | 153.9 | -86.5 | -175.4 | 172.4 | -179.1 | -1 | 109.1 | N1033 | N1033-R1035 PolarHBondContact OD1-N 2.86Š|
| 1036 | S | 26.4 | Very low | 30.9 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | | | trans | -169.6 | 133.5 | 161.8 | -84.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1037 | N | 29.2 | Very low | 30.1 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | -141.2 | 143.9 | -2.2 | -98.2 | -42.9 | 0 | 0 | 0 | 112.2 | | |
| 1038 | R | 30.1 | Very low | 30.3 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -92 | 138.7 | 149.3 | -171.8 | -178 | -166.8 | -111.3 | 8.5 | 106 | T1040 | R1038-T1040 PolarHBondContact O-OG1 3.33Š|
| 1039 | L | 32.5 | Very low | 30.4 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -99.5 | 123.6 | 155.6 | -57.8 | 175 | 0 | 0 | 0 | 104.4 | | |
| 1040 | T | 27.7 | Very low | 30.8 | Very low | 81 Ų | 81 | 145.4 Ų | 145.4 | 50% | 0.497 | 75% | 0.746 | S | S | . | * | | | cis | 72.8 | 90.7 | 32.1 | -45.3 | 0 | 0 | 0 | 0 | 112.5 | R1038 | R1038-T1040 PolarHBondContact O-OG1 3.33Š|
| 1041 | F | 26 | Very low | 31.2 | Very low | 198 Ų | 198 | 148.2 Ų | 148.2 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -127.5 | 98.6 | 147.4 | -87.8 | -76.1 | 0 | 0 | 0 | 106.5 | | |
| 1042 | D | 32.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | | | trans | -108.4 | 135.7 | 167.2 | -74.4 | -64.8 | 0 | 0 | 0 | 108.3 | | |
| 1043 | F | 28.8 | Very low | 32 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | | | trans | -146.4 | 81.8 | 163.1 | -96.6 | -74.2 | 0 | 0 | 0 | 107.9 | | |
| 1044 | L | 46.1 | Very low | 32.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 60% | 0.597 | 76% | 0.759 | S | S | * | * | | | trans | -94.1 | 167.5 | 162.7 | -67 | 174.5 | 0 | 0 | 0 | 109.2 | E1046 | L1044-E1046 HydrophobicContact CD1-CG 4.24Å; L1044-E1046 WeakPolarHBondContact CD1-OE1 3.37Å |
| 1045 | P | 36.8 | Very low | 33.2 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | | -125 | 146.4 | 90.9 | 36.5 | -32.2 | 0 | 0 | 0 | 114 | | |
| 1046 | E | 39.3 | Very low | 33.5 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -64.9 | 158.9 | 176.5 | -74.5 | 89.4 | 149.9 | 0 | 0 | 114.5 | L1044 | L1044-E1046 HydrophobicContact CD1-CG 4.24Å; L1044-E1046 WeakPolarHBondContact CD1-OE1 3.37Å |
| 1047 | G | 28.9 | Very low | 34.3 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -159 | 70.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1048 | D | 28.9 | Very low | 35.2 | Very low | 141 Ų | 141 | 130.2 Ų | 130.2 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | | | trans | 54.9 | 112.7 | 155.4 | -97.5 | 31.8 | 0 | 0 | 0 | 122.8 | | |
| 1049 | N | 34.1 | Very low | 35.9 | Very low | 123 Ų | 123 | 125 Ų | 125 | 66% | 0.658 | 72% | 0.716 | S | S | * | * | | | | 61.8 | 108.4 | 125.1 | -63.4 | -35.7 | 0 | 0 | 0 | 121.8 | | |
| 1050 | T | 34.1 | Very low | 36.8 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 82% | 0.816 | 71% | 0.707 | S | S | * | * | | | | 170.2 | 166.4 | 95.7 | 39.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1051 | V | 32.5 | Very low | 38.4 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | | | trans | 78.6 | 139 | 168.8 | -170.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1052 | P | 36.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 78% | 0.779 | 69% | 0.686 | S | S | * | * | | | trans | -110.2 | 151.9 | -151.1 | 39.9 | -33 | 0 | 0 | 0 | 117.5 | | |
| 1053 | G | 33.4 | Very low | 40.1 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | | | | 98 | 28.6 | 111.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | N1055 | G1053-N1055 PolarHBondContact O-N 2.88Š|
| 1054 | I | 35.5 | Very low | 41.2 | Very low | 171 Ų | 171 | 113.1 Ų | 113.1 | 88% | 0.877 | 67% | 0.666 | S | S | * | * | | | trans | -76.3 | 67.2 | 171 | 53.8 | 160.2 | 0 | 0 | 0 | 113.4 | | |
| 1055 | N | 41.7 | Very low | 41.6 | Very low | 134 Ų | 134 | 113.7 Ų | 113.7 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | | | trans | -116.8 | 84.6 | 166.6 | -71.4 | -43.6 | 0 | 0 | 0 | 109.1 | G1053 | G1053-N1055 PolarHBondContact O-N 2.88Š|
| 1056 | A | 43.4 | Very low | 42 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 55% | 0.554 | 66% | 0.659 | S | S | * | * | | | trans | -118.5 | -34 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1058 D1059 F1060 | A1056-S1058 VanDerWaalsContact C-N 3.29Å; A1056-S1058 PolarHBondContact O-N 2.78Å; A1056-D1059 PolarHBondContact O-N 3.16Å; A1056-D1059 VanDerWaalsContact O-N 3.17Å; A1056-F1060 PolarHBondContact O-N 2.71Å |
| 1057 | D | 41.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 111.5 Ų | 111.5 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.9 | -26.8 | -176.5 | -54.1 | -35.5 | 0 | 0 | 0 | 113 | I1061 | D1057-I1061 WeakPolarHBondContact O-CG1 3.26Å |
| 1058 | S | 48.6 | Very low | 43 | Very low | 63 Ų | 63 | 111.5 Ų | 111.5 | 44% | 0.441 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63 | -46.4 | 170.9 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | A1056 I1061 D1062 | A1056-S1058 VanDerWaalsContact C-N 3.29Å; A1056-S1058 PolarHBondContact O-N 2.78Å; S1058-I1061 PolarHBondContact O-N 2.85Å; S1058-D1062 WeakPolarHBondContact O-CB 3.44Å; S1058-D1062 PolarHBondContact O-N 3.36Å |
| 1059 | D | 45.1 | Very low | 43.8 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -80.5 | -27.8 | -167.1 | -66 | 19.3 | 0 | 0 | 0 | 110.9 | A1056 S1063 | A1056-D1059 PolarHBondContact O-N 3.16Å; A1056-D1059 VanDerWaalsContact O-N 3.17Å; D1059-S1063 WeakPolarHBondContact O-CB 3.23Å; D1059-S1063 PolarHBondContact O-N 3.42Å; D1059-S1063 PolarHBondContact O-OG 3.3Å |
| 1060 | F | 51.5 | Low | 44.6 | Very low | 138 Ų | 138 | 108.1 Ų | 108.1 | 61% | 0.605 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.8 | -48.4 | 169.1 | -178.5 | -103.4 | 0 | 0 | 0 | 112 | A1056 S1063 L1064 | A1056-F1060 PolarHBondContact O-N 2.71Å; F1060-S1063 PolarHBondContact O-N 2.98Å; F1060-L1064 HydrophobicContact CE1-CD1 4.49Å; F1060-L1064 HydrophobicContact CE2-CD1 4.48Å; F1060-L1064 HydrophobicContact CZ-CD1 4.2Å; F1060-L1064 PolarHBondContact O-N 2.86Å; F1060-L1064 VanDerWaalsContact O-N 3.08Å |
| 1061 | I | 61 | Low | 44.9 | Very low | 95 Ų | 95 | 107.3 Ų | 107.3 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.7 | -42.2 | 178.9 | -63.1 | -64.2 | 0 | 0 | 0 | 110.9 | D1057 S1058 S1063 L1064 L1065 | D1057-I1061 WeakPolarHBondContact O-CG1 3.26Å; S1058-I1061 PolarHBondContact O-N 2.85Å; I1061-S1063 VanDerWaalsContact C-N 3.33Å; I1061-S1063 PolarHBondContact O-N 2.79Å; I1061-L1064 WeakPolarHBondContact O-CB 3.45Å; I1061-L1064 PolarHBondContact O-N 3.03Å; I1061-L1065 HydrophobicContact CG2-CD1 4.01Å; I1061-L1065 WeakPolarHBondContact O-CG 3.2Å; I1061-L1065 PolarHBondContact O-N 3.37Å; I1061-L1065 VanDerWaalsContact O-N 3.1Å |
| 1062 | D | 46.9 | Very low | 45.8 | Very low | 82 Ų | 82 | 106.3 Ų | 106.3 | 44% | 0.439 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73 | -26.1 | -180 | -148 | 47.1 | 0 | 0 | 0 | 112.1 | S1058 L1065 K1066 | S1058-D1062 WeakPolarHBondContact O-CB 3.44Å; S1058-D1062 PolarHBondContact O-N 3.36Å; D1062-L1065 PolarHBondContact O-N 2.89Å; D1062-K1066 VanDerWaalsContact O-CB 3.27Å; D1062-K1066 WeakPolarHBondContact O-CB 3.4Å; D1062-K1066 PolarHBondContact O-N 3.42Å; D1062-K1066 IonicContact OD1-NZ 3.5Å; D1062-K1066 PolarHBondContact OD1-NZ 2.83Å; D1062-K1066 IonicContact OD2-NZ 3.66Å; D1062-K1066 PolarHBondContact OD2-NZ 3.3Å |
| 1063 | S | 47.2 | Very low | 46.7 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | 169.2 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | D1059 F1060 I1061 L1065 K1066 S1067 | D1059-S1063 WeakPolarHBondContact O-CB 3.23Å; D1059-S1063 PolarHBondContact O-N 3.42Å; D1059-S1063 PolarHBondContact O-OG 3.3Å; F1060-S1063 PolarHBondContact O-N 2.98Å; I1061-S1063 VanDerWaalsContact C-N 3.33Å; I1061-S1063 PolarHBondContact O-N 2.79Å; S1063-L1065 PolarHBondContact O-N 3.49Å; S1063-K1066 PolarHBondContact O-N 2.98Å; S1063-S1067 PolarHBondContact O-N 2.84Å; S1063-S1067 PolarHBondContact O-OG 3.49Å |
| 1064 | L | 51.6 | Low | 48.2 | Very low | 119 Ų | 119 | 110.1 Ų | 110.1 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.7 | -38.8 | 172.2 | -120.6 | 79.7 | 0 | 0 | 0 | 111.5 | F1060 I1061 | F1060-L1064 HydrophobicContact CE1-CD1 4.49Å; F1060-L1064 HydrophobicContact CE2-CD1 4.48Å; F1060-L1064 HydrophobicContact CZ-CD1 4.2Å; F1060-L1064 PolarHBondContact O-N 2.86Å; F1060-L1064 VanDerWaalsContact O-N 3.08Å; I1061-L1064 WeakPolarHBondContact O-CB 3.45Å; I1061-L1064 PolarHBondContact O-N 3.03Å |
| 1065 | L | 54.3 | Low | 48.9 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 67% | 0.665 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.3 | -23.3 | -178.4 | -67.2 | 169.4 | 0 | 0 | 0 | 114 | I1061 D1062 S1063 | I1061-L1065 HydrophobicContact CG2-CD1 4.01Å; I1061-L1065 WeakPolarHBondContact O-CG 3.2Å; I1061-L1065 PolarHBondContact O-N 3.37Å; I1061-L1065 VanDerWaalsContact O-N 3.1Å; D1062-L1065 PolarHBondContact O-N 2.89Å; S1063-L1065 PolarHBondContact O-N 3.49Å |
| 1066 | K | 45.7 | Very low | 49.3 | Very low | 141 Ų | 141 | 108.7 Ų | 108.7 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -81.5 | -24.8 | 175.6 | -147.9 | 81.1 | 72.9 | -116.4 | 0 | 112.8 | D1062 S1063 G1068 | D1062-K1066 VanDerWaalsContact O-CB 3.27Å; D1062-K1066 WeakPolarHBondContact O-CB 3.4Å; D1062-K1066 PolarHBondContact O-N 3.42Å; D1062-K1066 IonicContact OD1-NZ 3.5Å; D1062-K1066 PolarHBondContact OD1-NZ 2.83Å; D1062-K1066 IonicContact OD2-NZ 3.66Å; D1062-K1066 PolarHBondContact OD2-NZ 3.3Å; S1063-K1066 PolarHBondContact O-N 2.98Å; K1066-G1068 PolarHBondContact O-N 3.25Å |
| 1067 | S | 43.6 | Very low | 49.6 | Very low | 95 Ų | 95 | 112.4 Ų | 112.4 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | | | trans | -73.8 | 24.2 | 175.8 | -60 | 0 | 0 | 0 | 0 | 114.3 | S1063 S1069 | S1063-S1067 PolarHBondContact O-N 2.84Å; S1063-S1067 PolarHBondContact O-OG 3.49Å; S1067-S1069 PolarHBondContact O-N 2.89Å |
| 1068 | G | 44.9 | Very low | 50.3 | Low | 76 Ų | 76 | 110.4 Ų | 110.4 | 78% | 0.784 | 62% | 0.615 | S | S | * | * | | | trans | -74.6 | 41 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1066 | K1066-G1068 PolarHBondContact O-N 3.25Š|
| 1069 | S | 45.5 | Very low | 50 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 74% | 0.741 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -141.8 | 117.6 | 173.3 | -165.1 | 0 | 0 | 0 | 0 | 108 | S1067 | S1067-S1069 PolarHBondContact O-N 2.89Š|
| 1070 | G | 51.1 | Low | 50.3 | Low | 87 Ų | 87 | 112.5 Ų | 112.5 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | | | trans | -78.5 | 129.3 | -155.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1071 | N | 40.7 | Very low | 50.2 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | | | trans | -140 | 143.6 | 150.9 | 66.6 | -54.3 | 0 | 0 | 0 | 110 | D1073 | N1071-D1073 VanDerWaalsContact C-N 3.33Å; N1071-D1073 PolarHBondContact ND2-OD2 3.44Å; N1071-D1073 PolarHBondContact O-N 2.95Å |
| 1072 | D | 51.6 | Low | 50 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | | | trans | -96.2 | 27.2 | -167.5 | -138.2 | -66 | 0 | 0 | 0 | 112.7 | M1075 | D1072-M1075 WeakPolarHBondContact OD1-CE 3.4Š|
| 1073 | D | 56.3 | Low | 50.3 | Low | 83 Ų | 83 | 116.6 Ų | 116.6 | 44% | 0.444 | 64% | 0.644 | S | S | . | * | | | trans | -85.4 | -25.9 | -167.5 | -65.4 | -58.3 | 0 | 0 | 0 | 113.9 | N1071 M1075 K1076 | N1071-D1073 VanDerWaalsContact C-N 3.33Å; N1071-D1073 PolarHBondContact ND2-OD2 3.44Å; N1071-D1073 PolarHBondContact O-N 2.95Å; D1073-M1075 PolarHBondContact O-N 3.18Å; D1073-K1076 WeakPolarHBondContact O-CB 3.47Å; D1073-K1076 PolarHBondContact O-N 3.35Å |
| 1074 | W | 63.4 | Low | 50.6 | Low | 183 Ų | 183 | 120.1 Ų | 120.1 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -18.1 | -172.9 | 72.4 | -87.7 | 0 | 0 | 0 | 114.6 | | |
| 1075 | M | 50.7 | Low | 50.2 | Low | 104 Ų | 104 | 117.5 Ų | 117.5 | 51% | 0.512 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -7.6 | 173 | -74.7 | -172.8 | -72.3 | 0 | 0 | 113.8 | D1072 D1073 | D1072-M1075 WeakPolarHBondContact OD1-CE 3.4Å; D1073-M1075 PolarHBondContact O-N 3.18Å |
| 1076 | K | 50 | Low | 49.9 | Very low | 171 Ų | 171 | 116.2 Ų | 116.2 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -23.1 | 177.6 | -69.4 | -169.4 | 174.3 | -179.4 | 0 | 114.4 | D1073 I1078 | D1073-K1076 WeakPolarHBondContact O-CB 3.47Å; D1073-K1076 PolarHBondContact O-N 3.35Å; K1076-I1078 PolarHBondContact O-N 3.33Å |
| 1077 | D | 50.9 | Low | 49.6 | Very low | 145 Ų | 145 | 118.5 Ų | 118.5 | 78% | 0.775 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78.4 | -1.7 | 178.1 | -66.3 | -31.4 | 0 | 0 | 0 | 113.3 | N1079 | D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.46Å |
| 1078 | I | 55.7 | Low | 49.3 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | | | trans | -77.2 | 81.5 | 170.4 | -52.8 | 179.5 | 0 | 0 | 0 | 108.7 | K1076 L1080 I1083 | K1076-I1078 PolarHBondContact O-N 3.33Å; I1078-L1080 PolarHBondContact O-N 2.89Å; I1078-L1080 VanDerWaalsContact O-N 3.08Å; I1078-I1083 HydrophobicContact CG2-CD1 4.33Å |
| 1079 | N | 43.2 | Very low | 49.5 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 47% | 0.471 | 70% | 0.697 | S | S | . | * | | | trans | -67.7 | 105.4 | 178.4 | -172.4 | 1.1 | 0 | 0 | 0 | 111.2 | D1077 D1081 E1082 | D1077-N1079 VanDerWaalsContact C-N 3.28Å; D1077-N1079 PolarHBondContact O-N 3.46Å; N1079-D1081 PolarHBondContact O-N 2.92Å; N1079-D1081 PolarHBondContact OD1-N 3.44Å; N1079-E1082 PolarHBondContact O-N 2.83Å |
| 1080 | L | 50.4 | Low | 49.7 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -65 | -24.5 | -177.1 | -70 | 166.4 | 0 | 0 | 0 | 113.2 | I1078 E1082 I1083 L1084 | I1078-L1080 PolarHBondContact O-N 2.89Å; I1078-L1080 VanDerWaalsContact O-N 3.08Å; L1080-E1082 VanDerWaalsContact C-N 3.34Å; L1080-E1082 PolarHBondContact O-N 2.68Å; L1080-I1083 PolarHBondContact O-N 3.33Å; L1080-L1084 PolarHBondContact O-N 3.08Å |
| 1081 | D | 50.4 | Low | 49.6 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.7 | -30.3 | 179.7 | -65.1 | -34.1 | 0 | 0 | 0 | 112.3 | N1079 I1083 L1084 G1085 | N1079-D1081 PolarHBondContact O-N 2.92Å; N1079-D1081 PolarHBondContact OD1-N 3.44Å; D1081-I1083 VanDerWaalsContact C-N 3.34Å; D1081-L1084 PolarHBondContact O-N 2.9Å; D1081-G1085 WeakPolarHBondContact O-CA 3.49Å; D1081-G1085 PolarHBondContact O-N 3.47Å |
| 1082 | E | 55.1 | Low | 50.2 | Low | 153 Ų | 153 | 128.8 Ų | 128.8 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.1 | -31.6 | 177.9 | -169.7 | 170.4 | -174.6 | 0 | 0 | 111.9 | N1079 L1080 | N1079-E1082 PolarHBondContact O-N 2.83Å; L1080-E1082 VanDerWaalsContact C-N 3.34Å; L1080-E1082 PolarHBondContact O-N 2.68Å |
| 1083 | I | 53.6 | Low | 50.1 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -77.5 | -25.1 | 179.9 | -59.4 | 176.6 | 0 | 0 | 0 | 111.8 | I1078 L1080 D1081 | I1078-I1083 HydrophobicContact CG2-CD1 4.33Å; L1080-I1083 PolarHBondContact O-N 3.33Å; D1081-I1083 VanDerWaalsContact C-N 3.34Å |
| 1084 | L | 53.3 | Low | 49.7 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -107.4 | -20 | -177.7 | -63.4 | 177.5 | 0 | 0 | 0 | 114.3 | L1080 D1081 S1086 | L1080-L1084 PolarHBondContact O-N 3.08Å; D1081-L1084 PolarHBondContact O-N 2.9Å; L1084-S1086 VanDerWaalsContact C-N 3.27Å; L1084-S1086 PolarHBondContact O-N 3.08Å |
| 1085 | G | 43.8 | Very low | 48.7 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -74.3 | -2.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | D1081 | D1081-G1085 WeakPolarHBondContact O-CA 3.49Å; D1081-G1085 PolarHBondContact O-N 3.47Å |
| 1086 | S | 47.1 | Very low | 48.5 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -117 | 51.5 | -170 | -65.4 | 0 | 0 | 0 | 0 | 114.7 | L1084 | L1084-S1086 VanDerWaalsContact C-N 3.27Å; L1084-S1086 PolarHBondContact O-N 3.08Å |
| 1087 | H | 40 | Very low | 48.4 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | | | trans | -162.7 | 103.2 | 149.1 | -101.8 | -59 | 0 | 0 | 0 | 112.5 | | |
| 1088 | S | 37.2 | Very low | 48.2 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 100% | 1.259 | 72% | 0.715 | S | S | * | * | | | trans | -86.1 | 0 | 149.2 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | | |