| 1 | M | 41.5 | Very low | 40.3 | Very low | 222 Ų | 222 | 134 Ų | 134 | 100% | 1.094 | 82% | 0.816 | S | S | * | * | | | | 0 | 54.9 | 0 | -54.3 | -177.5 | -179.3 | 0 | 0 | 108.7 | | |
| 2 | D | 38.5 | Very low | 40 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | | 24.1 | 129.1 | 117.8 | 22.8 | -67.1 | 0 | 0 | 0 | 115.7 | | |
| 3 | T | 45.6 | Very low | 39.9 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | cis | -161.4 | 144.9 | 38.3 | 50 | 0 | 0 | 0 | 0 | 112 | | |
| 4 | S | 39.4 | Very low | 39.5 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 44.5 | 150.4 | 121.9 | -39.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 5 | S | 45.1 | Very low | 39.6 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | | | cis | 167.6 | 134.1 | -1.8 | 173.9 | 0 | 0 | 0 | 0 | 105.9 | | |
| 6 | V | 46.1 | Very low | 40.2 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 51.1 | 135.2 | 145.2 | -54.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 7 | G | 38.3 | Very low | 40 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 129.8 | 99.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 8 | G | 32.4 | Very low | 39.9 | Very low | 78 Ų | 78 | 134.6 Ų | 134.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | cis | 106.1 | 130.9 | 30.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 9 | L | 40.8 | Very low | 40.3 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | 83.5 | 90.3 | -179.9 | -121.6 | 72.3 | 0 | 0 | 0 | 115.1 | | |
| 10 | E | 38.5 | Very low | 40.3 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 65% | 0.654 | 80% | 0.797 | S | S | * | * | | | | 69.5 | 101.3 | 78.3 | -156.9 | -132.8 | 124.8 | 0 | 0 | 112.1 | T12 | E10-T12 VanDerWaalsContact OE1-CG2 3.31Å; E10-T12 WeakPolarHBondContact OE1-CG2 3.12Å |
| 11 | L | 37.1 | Very low | 40.8 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 94% | 0.937 | 80% | 0.8 | S | S | * | * | | | trans | -129.5 | 97.6 | 150.8 | -122 | 119.4 | 0 | 0 | 0 | 105.4 | | |
| 12 | T | 36.9 | Very low | 41.4 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 61% | 0.613 | 79% | 0.787 | S | S | * | * | | | trans | -41.3 | 139.9 | 170.1 | 29.8 | 0 | 0 | 0 | 0 | 112.9 | E10 | E10-T12 VanDerWaalsContact OE1-CG2 3.31Å; E10-T12 WeakPolarHBondContact OE1-CG2 3.12Å |
| 13 | D | 38.2 | Very low | 41.8 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | | | trans | -8.9 | 135.4 | 143.7 | -79.5 | -92.3 | 0 | 0 | 0 | 115 | | |
| 14 | Q | 35.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | | -171.3 | 118.4 | 102 | -71.3 | -135.2 | 103.2 | 0 | 0 | 109.5 | | |
| 15 | T | 40.8 | Very low | 41.6 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -103 | 168.5 | 151.6 | -12.7 | 0 | 0 | 0 | 0 | 105.7 | | |
| 16 | P | 48.9 | Very low | 41.5 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | | | cis | -142.9 | -176.5 | -3.5 | 32 | -7.1 | 0 | 0 | 0 | 115.3 | | |
| 17 | V | 36.6 | Very low | 41.4 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | 71.7 | 112.4 | 155.8 | -165.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 18 | L | 39.1 | Very low | 41.8 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | | -174.8 | 137.6 | 113.3 | -133 | 144.2 | 0 | 0 | 0 | 112.2 | | |
| 19 | L | 46.2 | Very low | 42.7 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -35.7 | 143.3 | 163.5 | -89.8 | 67.6 | 0 | 0 | 0 | 113.8 | | |
| 20 | G | 40.3 | Very low | 42.9 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | trans | 170.1 | 81.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T22 | G20-T22 PolarHBondContact O-N 3.19Š|
| 21 | S | 52.2 | Low | 43.3 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -62 | 115.2 | 160 | -53 | 0 | 0 | 0 | 0 | 108.8 | | |
| 22 | T | 53.2 | Low | 43.7 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -165 | 124.2 | 155.4 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | G20 | G20-T22 PolarHBondContact O-N 3.19Š|
| 23 | A | 46.5 | Very low | 43.9 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | | | trans | -70 | 143.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 24 | M | 44.8 | Very low | 44.6 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -168.4 | 117 | 147.9 | -73.3 | -53.7 | -142.4 | 0 | 0 | 109.2 | | |
| 25 | A | 36.4 | Very low | 45.2 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | trans | -160.8 | 110.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 26 | T | 43.9 | Very low | 45.6 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -95.3 | 151.2 | 170.2 | 55 | 0 | 0 | 0 | 0 | 109.2 | | |
| 27 | S | 44.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | | | trans | 68 | 108.4 | 161.5 | -64.7 | 0 | 0 | 0 | 0 | 119 | | |
| 28 | L | 44.8 | Very low | 45.8 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | | | trans | -136.1 | 139.2 | 137.7 | -128.6 | 153.4 | 0 | 0 | 0 | 110.4 | | |
| 29 | T | 52.1 | Low | 45.7 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | | | trans | -68.4 | 143.1 | -162.1 | 47.8 | 0 | 0 | 0 | 0 | 115.4 | V31 | T29-V31 PolarHBondContact O-N 3.44Š|
| 30 | N | 44.7 | Very low | 45.6 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | | | trans | -15.8 | 115.2 | 146.3 | -177.5 | 17.7 | 0 | 0 | 0 | 115.9 | | |
| 31 | V | 48.1 | Very low | 45.8 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | -132.7 | 111.4 | 148.3 | 168.7 | 0 | 0 | 0 | 0 | 106.5 | T29 | T29-V31 PolarHBondContact O-N 3.44Š|
| 32 | G | 43.8 | Very low | 45.3 | Very low | 51 Ų | 51 | 129.5 Ų | 129.5 | 53% | 0.526 | 81% | 0.805 | S | S | . | * | | | trans | -71.2 | 147.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 33 | N | 42.3 | Very low | 44.4 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | | | trans | -155 | 124.4 | 143.6 | -131.9 | 55.4 | 0 | 0 | 0 | 110.1 | | |
| 34 | S | 51.8 | Low | 44.3 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -65.9 | 138.6 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 35 | F | 47.8 | Very low | 44.2 | Very low | 208 Ų | 208 | 132.6 Ų | 132.6 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | | -158.5 | 138.1 | 129.3 | -150.8 | -106.2 | 0 | 0 | 0 | 111.1 | | |
| 36 | S | 49.7 | Very low | 44.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 133.8 | -175.2 | -160 | 0 | 0 | 0 | 0 | 111.4 | | |
| 37 | G | 41.1 | Very low | 44.4 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | | | trans | -164.2 | 134.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 38 | P | 49.3 | Very low | 44.5 | Very low | 141 Ų | 141 | 138 Ų | 138 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | | | trans | -87.8 | 124.3 | -173.1 | 33.2 | -29.5 | 0 | 0 | 0 | 110.9 | | |
| 39 | A | 36.1 | Very low | 44.6 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -148.3 | 106.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 40 | N | 44.4 | Very low | 44 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -74.8 | 158.4 | 151.6 | -77.4 | -51.3 | 0 | 0 | 0 | 107.5 | | |
| 41 | P | 44.8 | Very low | 44 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | | | cis | -141.4 | -168.9 | 27.4 | 34.1 | -10.3 | 0 | 0 | 0 | 113.9 | | |
| 42 | L | 41.8 | Very low | 43.7 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | trans | 95.9 | 90.5 | 166.9 | -58 | 135 | 0 | 0 | 0 | 115.8 | | |
| 43 | V | 34.6 | Very low | 43.7 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | trans | -123.2 | 96.8 | 139.9 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | R45 | V43-R45 HydrophobicContact CG1-CB 4.42Å; V43-R45 HydrophobicContact CG1-CG 4.36Å; V43-R45 PolarHBondContact O-N 3.22Å; V43-R45 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 44.8 | Very low | 44.3 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -52.9 | 108.4 | 150.9 | -59.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 45 | R | 42.9 | Very low | 44 | Very low | 231 Ų | 231 | 144.3 Ų | 144.3 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -107.6 | 121.8 | 168.2 | -129.9 | 177.9 | 179.1 | -171.9 | -0.9 | 108.9 | V43 | V43-R45 HydrophobicContact CG1-CB 4.42Å; V43-R45 HydrophobicContact CG1-CG 4.36Å; V43-R45 PolarHBondContact O-N 3.22Å; V43-R45 VanDerWaalsContact O-N 3.11Å |
| 46 | S | 40.7 | Very low | 44.4 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | | | trans | -63.6 | 141.9 | -166.4 | -149.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 47 | N | 42.6 | Very low | 44.7 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -54.8 | 135 | 170.5 | -81.5 | -1.5 | 0 | 0 | 0 | 112.1 | | |
| 48 | K | 46.7 | Very low | 45.6 | Very low | 199 Ų | 199 | 144.1 Ų | 144.1 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | trans | -131.7 | 103.2 | 155.5 | -160.2 | 174.1 | -163.4 | -122.8 | 0 | 109.1 | | |
| 49 | F | 46 | Very low | 46.4 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | 3.4 | 113 | 162.5 | -52.6 | -86 | 0 | 0 | 0 | 117.9 | | |
| 50 | Q | 39.9 | Very low | 48 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | -141.6 | 125.5 | 134.6 | -77.2 | -161.6 | -52.1 | 0 | 0 | 109 | | |
| 51 | N | 44.3 | Very low | 49.1 | Very low | 165 Ų | 165 | 142.8 Ų | 142.8 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | trans | -69.9 | 135.4 | 170.7 | -60.8 | -66.7 | 0 | 0 | 0 | 109.3 | | |
| 52 | S | 42.3 | Very low | 49.4 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | -154.9 | 112.8 | 152 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 53 | S | 44.6 | Very low | 50.1 | Low | 86 Ų | 86 | 147 Ų | 147 | 60% | 0.601 | 78% | 0.781 | S | S | * | * | | | trans | 52 | 119.3 | 151.6 | -140 | 0 | 0 | 0 | 0 | 120 | E55 | S53-E55 WeakPolarHBondContact CB-OE1 3.32Å; S53-E55 PolarHBondContact O-N 3.4Å; S53-E55 PolarHBondContact OG-OE1 3.12Å |
| 54 | V | 54.4 | Low | 51.3 | Low | 146 Ų | 146 | 149 Ų | 149 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | | | trans | -62.7 | 79.2 | 155 | -73.1 | 0 | 0 | 0 | 0 | 109.1 | D56 | V54-D56 PolarHBondContact O-N 3.32Š|
| 55 | E | 45.2 | Very low | 51.8 | Low | 150 Ų | 150 | 148 Ų | 148 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -92.3 | 95.2 | 165.7 | -45.4 | -83.5 | 100.1 | 0 | 0 | 105.8 | S53 D57 | S53-E55 WeakPolarHBondContact CB-OE1 3.32Å; S53-E55 PolarHBondContact O-N 3.4Å; S53-E55 PolarHBondContact OG-OE1 3.12Å; E55-D57 PolarHBondContact O-N 3.31Å |
| 56 | D | 55.6 | Low | 52.5 | Low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -50.7 | 84.3 | 155 | -176.4 | 74.9 | 0 | 0 | 0 | 108.6 | V54 | V54-D56 PolarHBondContact O-N 3.32Š|
| 57 | D | 56.3 | Low | 52.8 | Low | 108 Ų | 108 | 146 Ų | 146 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | | | trans | -121.5 | 70.5 | 172.9 | -147.1 | -61.5 | 0 | 0 | 0 | 107.8 | E55 D59 | E55-D57 PolarHBondContact O-N 3.31Å; D57-D59 PolarHBondContact O-N 2.78Å; D57-D59 VanDerWaalsContact OD1-OD1 3.13Å |
| 58 | D | 59.3 | Low | 53.2 | Low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -67.6 | 75 | 161.4 | -77.6 | -47.8 | 0 | 0 | 0 | 108.1 | V60 | D58-V60 WeakPolarHBondContact O-CG2 3.47Å; D58-V60 PolarHBondContact O-N 3.14Å |
| 59 | D | 66.5 | Low | 53.4 | Low | 135 Ų | 135 | 139.7 Ų | 139.7 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | -63.2 | 78.1 | 167.3 | -89.1 | -43.3 | 0 | 0 | 0 | 109.2 | D57 V61 | D57-D59 PolarHBondContact O-N 2.78Å; D57-D59 VanDerWaalsContact OD1-OD1 3.13Å; D59-V61 PolarHBondContact O-N 3.13Å |
| 60 | V | 69.8 | Low | 53.7 | Low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | | | trans | -68.5 | 97 | 171.3 | -128.3 | 0 | 0 | 0 | 0 | 107.7 | D58 F62 | D58-V60 WeakPolarHBondContact O-CG2 3.47Å; D58-V60 PolarHBondContact O-N 3.14Å; V60-F62 HydrophobicContact CB-CE2 4.23Å; V60-F62 WeakPolarHBondContact O-CD2 3.43Å; V60-F62 PolarHBondContact O-N 3.21Å |
| 61 | V | 67.6 | Low | 54 | Low | 130 Ų | 130 | 132.8 Ų | 132.8 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | | | trans | -69.4 | 101.9 | 172.5 | -78 | 0 | 0 | 0 | 0 | 110.2 | D59 I63 | D59-V61 PolarHBondContact O-N 3.13Å; V61-I63 PolarHBondContact O-N 3.09Å |
| 62 | F | 52.4 | Low | 53.7 | Low | 187 Ų | 187 | 130.8 Ų | 130.8 | 82% | 0.82 | 75% | 0.746 | S | S | * | * | | | trans | -72 | 111.9 | 167.1 | -69.4 | -88.3 | 0 | 0 | 0 | 109 | V60 E64 | V60-F62 HydrophobicContact CB-CE2 4.23Å; V60-F62 WeakPolarHBondContact O-CD2 3.43Å; V60-F62 PolarHBondContact O-N 3.21Å; F62-E64 PolarHBondContact O-N 2.8Å |
| 63 | I | 56.3 | Low | 53.9 | Low | 156 Ų | 156 | 131.5 Ų | 131.5 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | trans | -72.8 | 99.1 | 170.8 | -57.4 | 177.9 | 0 | 0 | 0 | 107.4 | V61 P65 | V61-I63 PolarHBondContact O-N 3.09Å; I63-P65 WeakPolarHBondContact O-CD 3.34Å |
| 64 | E | 59.9 | Low | 53.7 | Low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -61.3 | 121.9 | 169.6 | -169.5 | 178.3 | 173.9 | 0 | 0 | 109 | F62 V66 | F62-E64 PolarHBondContact O-N 2.8Å; E64-V66 PolarHBondContact O-N 3.22Å |
| 65 | P | 55.1 | Low | 52.9 | Low | 93 Ų | 93 | 132 Ų | 132 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | | | trans | -70.3 | 119.1 | 178.7 | 25.5 | -28.5 | 0 | 0 | 0 | 109.1 | I63 Q67 | I63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-Q67 PolarHBondContact O-N 3.19Å |
| 66 | V | 56.5 | Low | 53.2 | Low | 139 Ų | 139 | 131.4 Ų | 131.4 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -56.7 | 113.5 | 169.9 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | E64 | E64-V66 PolarHBondContact O-N 3.22Š|
| 67 | Q | 47.6 | Very low | 52.3 | Low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 123.3 | 176.2 | -173.2 | 172.7 | 56.5 | 0 | 0 | 108.7 | P65 | P65-Q67 PolarHBondContact O-N 3.19Š|
| 68 | P | 51.6 | Low | 51.7 | Low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 139 | 172.6 | 25.5 | -30.9 | 0 | 0 | 0 | 108.7 | | |
| 69 | P | 49.5 | Very low | 50.7 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 142.2 | 178.9 | 23.7 | -32.2 | 0 | 0 | 0 | 110.1 | | |
| 70 | P | 52.8 | Low | 49.6 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.3 | 179.9 | 25.9 | -33 | 0 | 0 | 0 | 110.8 | S72 | P70-S72 PolarHBondContact O-N 3.13Š|
| 71 | P | 45.7 | Very low | 48.1 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.5 | 179.3 | 26.8 | -33.2 | 0 | 0 | 0 | 110.4 | V73 | P71-V73 PolarHBondContact O-N 3.12Š|
| 72 | S | 39.9 | Very low | 46.9 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.3 | 173.5 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | P70 | P70-S72 PolarHBondContact O-N 3.13Š|
| 73 | V | 44.6 | Very low | 46.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 137.9 | 173.2 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | P71 V75 | P71-V73 PolarHBondContact O-N 3.12Å; V73-V75 PolarHBondContact O-N 3.09Å |
| 74 | P | 40.5 | Very low | 45.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 119.4 | 176.7 | 28.1 | -31.7 | 0 | 0 | 0 | 109.2 | V76 | P74-V76 PolarHBondContact O-N 2.76Å; P74-V76 VanDerWaalsContact O-N 3.13Å |
| 75 | V | 39.4 | Very low | 44.2 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | | | trans | -65.1 | 109.8 | 166.3 | 162.6 | 0 | 0 | 0 | 0 | 107.5 | V73 A77 | V73-V75 PolarHBondContact O-N 3.09Å; V75-A77 HydrophobicContact CG1-CB 4.41Å; V75-A77 PolarHBondContact O-N 3.38Å; V75-A77 VanDerWaalsContact O-N 3.14Å |
| 76 | V | 49.9 | Very low | 43.3 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -68.8 | 101.8 | 161.8 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | P74 | P74-V76 PolarHBondContact O-N 2.76Å; P74-V76 VanDerWaalsContact O-N 3.13Å |
| 77 | A | 37.3 | Very low | 42.5 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -93.2 | 100.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V75 Q79 | V75-A77 HydrophobicContact CG1-CB 4.41Å; V75-A77 PolarHBondContact O-N 3.38Å; V75-A77 VanDerWaalsContact O-N 3.14Å; A77-Q79 PolarHBondContact O-N 3.39Å |
| 78 | D | 42.6 | Very low | 42.1 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | trans | -52.9 | 113.9 | 157.7 | -177.1 | -101.7 | 0 | 0 | 0 | 109.6 | | |
| 79 | Q | 38.4 | Very low | 41.4 | Very low | 181 Ų | 181 | 134.5 Ų | 134.5 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -145.9 | 91.3 | 157.6 | -72.1 | -158.6 | 78.5 | 0 | 0 | 110.9 | A77 | A77-Q79 PolarHBondContact O-N 3.39Š|
| 80 | R | 43.7 | Very low | 40.8 | Very low | 210 Ų | 210 | 136 Ų | 136 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | | 29.6 | 123.2 | 129.4 | -64.2 | 179.6 | -171.1 | 176.6 | 1.2 | 119.1 | | |
| 81 | T | 38 | Very low | 39.9 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | | 63.9 | 96.2 | 127 | -44.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 82 | I | 42.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | -122.8 | 103.5 | 138 | 45 | 168.4 | 0 | 0 | 0 | 108.7 | F84 | I82-F84 HydrophobicContact CB-CE2 4.5Å; I82-F84 PolarHBondContact O-N 2.87Å |
| 83 | T | 38.3 | Very low | 39.3 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -69.3 | 116.3 | 164.9 | -60.5 | 0 | 0 | 0 | 0 | 108.3 | T85 | T83-T85 HydrophobicContact CG2-CG2 4.27Š|
| 84 | F | 39.6 | Very low | 38.6 | Very low | 187 Ų | 187 | 139 Ų | 139 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | | | trans | -121.1 | 122 | 152 | -77.7 | -79.8 | 0 | 0 | 0 | 108.3 | I82 | I82-F84 HydrophobicContact CB-CE2 4.5Å; I82-F84 PolarHBondContact O-N 2.87Å |
| 85 | T | 34.3 | Very low | 38.2 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | -74.8 | 149.4 | -178 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | T83 | T83-T85 HydrophobicContact CG2-CG2 4.27Š|
| 86 | S | 36.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | 79.5 | 114.1 | 148.1 | -169.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 87 | S | 39.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | | -168.6 | 145.3 | 89.7 | -157.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 88 | K | 39.5 | Very low | 37.7 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -90.1 | 135.9 | -176.3 | 159.8 | -179.9 | 163.3 | 165.9 | 0 | 109.8 | | |
| 89 | N | 36 | Very low | 37.5 | Very low | 161 Ų | 161 | 147.2 Ų | 147.2 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | -149.4 | 150.4 | 138.9 | 65.2 | 1.2 | 0 | 0 | 0 | 111.2 | | |
| 90 | E | 37.6 | Very low | 37.7 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | | | trans | -128.5 | 148.1 | -162.9 | -175.5 | -178.5 | 82.2 | 0 | 0 | 106.1 | | |
| 91 | E | 34.6 | Very low | 37.7 | Very low | 161 Ų | 161 | 140.5 Ų | 140.5 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 91.5 | 136.9 | 152.2 | -158.5 | 131.8 | 97.6 | 0 | 0 | 121.7 | | |
| 92 | L | 40.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | 96.6 | 101.9 | 159.7 | -51.5 | 178.7 | 0 | 0 | 0 | 117.6 | | |
| 93 | Q | 31.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | | 75.9 | 122.2 | 78.2 | -85.9 | -168.3 | 24.9 | 0 | 0 | 115.5 | | |
| 94 | G | 30.5 | Very low | 37.4 | Very low | 69 Ų | 69 | 142.5 Ų | 142.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | 80.5 | 141.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 95 | N | 31.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | cis | -175 | 147.5 | 6.9 | 49.4 | -58.9 | 0 | 0 | 0 | 108 | | |
| 96 | D | 36.5 | Very low | 37.4 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | 37.5 | 119.2 | 155.4 | -68 | -86.7 | 0 | 0 | 0 | 122.4 | | |
| 97 | S | 38.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | | -157.1 | 97.4 | 122.5 | -81 | 0 | 0 | 0 | 0 | 111.9 | | |
| 98 | K | 41.7 | Very low | 37.9 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -32.7 | 129 | 148.4 | 179.3 | -172.5 | 179 | -167.3 | 0 | 112.1 | | |
| 99 | I | 38.9 | Very low | 38.3 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | | 175.7 | 108.3 | 121.6 | -69.2 | 137.1 | 0 | 0 | 0 | 108.1 | | |
| 100 | T | 40.8 | Very low | 38.9 | Very low | 134 Ų | 134 | 147 Ų | 147 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -121.5 | 149.1 | 150.2 | -24.2 | 0 | 0 | 0 | 0 | 103.9 | | |
| 101 | P | 43.8 | Very low | 39.4 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | | -153.8 | -173.2 | 54.3 | 38 | -13.8 | 0 | 0 | 0 | 116.3 | | |
| 102 | S | 32.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 123.3 | 127.9 | 159.5 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 103 | S | 37 | Very low | 40.7 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | cis | -157.8 | 167.5 | 1.6 | -97.2 | 0 | 0 | 0 | 0 | 110 | | |
| 104 | K | 45.3 | Very low | 41.8 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | | | trans | -94.6 | 128.2 | -173.8 | -1.4 | -175.1 | 173.4 | -172.9 | 0 | 106.5 | | |
| 105 | E | 32 | Very low | 43.6 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | | | trans | -151.2 | 143.2 | 157.2 | -157.7 | 160.8 | 101.3 | 0 | 0 | 111.8 | | |
| 106 | L | 40.3 | Very low | 45.5 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -86.1 | 163.4 | -161.3 | -69.4 | 152.3 | 0 | 0 | 0 | 112.4 | | |
| 107 | A | 40.7 | Very low | 47.3 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | 1.2 | 127.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 108 | S | 46.9 | Very low | 49.1 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -152.6 | 110.6 | 133.7 | -160.1 | 0 | 0 | 0 | 0 | 111.9 | K110 | S108-K110 PolarHBondContact O-N 3.01Š|
| 109 | Q | 47.6 | Very low | 50.6 | Low | 177 Ų | 177 | 138.6 Ų | 138.6 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -40.9 | 117.3 | 164.2 | 179.2 | -179.5 | -12.3 | 0 | 0 | 111.1 | G111 | Q109-G111 PolarHBondContact O-N 3.11Š|
| 110 | K | 48.1 | Very low | 52.2 | Low | 211 Ų | 211 | 136.6 Ų | 136.6 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | | | trans | -70.7 | 78.2 | 169.4 | -172.6 | 168.7 | -178.4 | -74.2 | 0 | 108.6 | S108 S112 | S108-K110 PolarHBondContact O-N 3.01Å; K110-S112 PolarHBondContact O-N 2.72Å |
| 111 | G | 48.8 | Very low | 53.6 | Low | 47 Ų | 47 | 137.9 Ų | 137.9 | 49% | 0.485 | 78% | 0.784 | S | S | . | * | | | trans | -64.5 | 126 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q109 V113 | Q109-G111 PolarHBondContact O-N 3.11Å; G111-V113 PolarHBondContact O-N 3.21Å; G111-V113 VanDerWaalsContact O-N 3.14Å |
| 112 | S | 50.9 | Low | 54.3 | Low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -59.4 | 106.1 | 160.8 | 161.1 | 0 | 0 | 0 | 0 | 108 | K110 S114 | K110-S112 PolarHBondContact O-N 2.72Å; S112-S114 PolarHBondContact O-N 2.66Å; S112-S114 VanDerWaalsContact O-N 3.17Å |
| 113 | V | 51.6 | Low | 55.7 | Low | 144 Ų | 144 | 143.5 Ų | 143.5 | 87% | 0.873 | 79% | 0.788 | S | S | * | * | | | trans | -78.2 | 95.5 | 169.7 | -69.8 | 0 | 0 | 0 | 0 | 108.3 | G111 | G111-V113 PolarHBondContact O-N 3.21Å; G111-V113 VanDerWaalsContact O-N 3.14Å |
| 114 | S | 55.4 | Low | 56.7 | Low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -89.7 | 108.8 | 161.7 | 39 | 0 | 0 | 0 | 0 | 107.5 | S112 | S112-S114 PolarHBondContact O-N 2.66Å; S112-S114 VanDerWaalsContact O-N 3.17Å |
| 115 | E | 68.2 | Low | 57.4 | Low | 181 Ų | 181 | 142.1 Ų | 142.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -76.1 | 120.1 | 171 | -172.5 | 174.4 | 177.2 | 0 | 0 | 108.4 | I117 | E115-I117 PolarHBondContact O-N 3Š|
| 116 | T | 71.1 | Confident | 58.4 | Low | 120 Ų | 120 | 140.9 Ų | 140.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -78.7 | 112.9 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | V118 | T116-V118 PolarHBondContact O-N 3.2Š|
| 117 | I | 73.2 | Confident | 59 | Low | 144 Ų | 144 | 137.5 Ų | 137.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | -73.8 | 112.4 | 172.1 | -58.3 | 167.7 | 0 | 0 | 0 | 107.1 | E115 I119 | E115-I117 PolarHBondContact O-N 3Å; I117-I119 HydrophobicContact CG2-CG1 4.34Å; I117-I119 PolarHBondContact O-N 3.02Å |
| 118 | V | 75.6 | Confident | 59.2 | Low | 126 Ų | 126 | 140.8 Ų | 140.8 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -80.1 | 110.7 | 170.3 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | T116 | T116-V118 PolarHBondContact O-N 3.2Š|
| 119 | I | 74.3 | Confident | 59.1 | Low | 143 Ų | 143 | 144.8 Ų | 144.8 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -85.8 | 113.3 | 169.5 | -55.5 | 172.5 | 0 | 0 | 0 | 105.8 | I117 D121 | I117-I119 HydrophobicContact CG2-CG1 4.34Å; I117-I119 PolarHBondContact O-N 3.02Å; I119-D121 PolarHBondContact O-N 3.32Å; I119-D121 VanDerWaalsContact O-N 3.15Å |
| 120 | D | 72.8 | Confident | 58.8 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | | | trans | -68.8 | 100.3 | 171.5 | -158.2 | 55.8 | 0 | 0 | 0 | 107.2 | E122 | D120-E122 PolarHBondContact O-N 3.2Å; D120-E122 WeakPolarHBondContact OD2-CG 3.18Å |
| 121 | D | 68.8 | Low | 58.4 | Low | 162 Ų | 162 | 137.5 Ų | 137.5 | 87% | 0.866 | 76% | 0.755 | S | S | * | * | | | trans | -73.3 | 37.8 | -176.2 | -179.9 | 48.5 | 0 | 0 | 0 | 112.3 | I119 | I119-D121 PolarHBondContact O-N 3.32Å; I119-D121 VanDerWaalsContact O-N 3.15Å |
| 122 | E | 59.5 | Low | 58 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -134.8 | 55.3 | -176 | 58.6 | -170.2 | 170 | 0 | 0 | 112.7 | D120 | D120-E122 PolarHBondContact O-N 3.2Å; D120-E122 WeakPolarHBondContact OD2-CG 3.18Å |
| 123 | E | 60.8 | Low | 57.7 | Low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | | | trans | -142.1 | 71 | 153 | -162.7 | -172.9 | 143.7 | 0 | 0 | 110.6 | | |
| 124 | D | 57.9 | Low | 57.1 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -126.1 | 92.4 | 150.3 | -166.5 | -9.2 | 0 | 0 | 0 | 108.9 | E126 | D124-E126 PolarHBondContact OD1-N 3.5Š|
| 125 | M | 60.3 | Low | 56.3 | Low | 145 Ų | 145 | 143.3 Ų | 143.3 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | trans | -128.7 | 90.1 | 147.4 | 53.1 | 173.7 | -73.6 | 0 | 0 | 108.6 | T127 | M125-T127 VanDerWaalsContact C-N 3.34Å; M125-T127 HydrophobicContact CE-CG2 3.84Å; M125-T127 PolarHBondContact O-N 2.79Å |
| 126 | E | 53 | Low | 55.1 | Low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | | | trans | -29 | 97 | 145.9 | -84.1 | 175.9 | 63.8 | 0 | 0 | 111.9 | D124 | D124-E126 PolarHBondContact OD1-N 3.5Š|
| 127 | T | 54.3 | Low | 53.5 | Low | 92 Ų | 92 | 140.9 Ų | 140.9 | 56% | 0.564 | 75% | 0.746 | S | S | * | * | | | trans | -136.9 | 111.7 | 154.3 | 49.5 | 0 | 0 | 0 | 0 | 105.5 | M125 | M125-T127 VanDerWaalsContact C-N 3.34Å; M125-T127 HydrophobicContact CE-CG2 3.84Å; M125-T127 PolarHBondContact O-N 2.79Å |
| 128 | N | 43.9 | Very low | 51.8 | Low | 168 Ų | 168 | 141.8 Ų | 141.8 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | | | trans | 168.4 | 65.4 | 149.1 | -82.9 | -48.7 | 0 | 0 | 0 | 109.9 | | |
| 129 | Q | 44.6 | Very low | 50.1 | Low | 203 Ų | 203 | 143.8 Ų | 143.8 | 95% | 0.949 | 75% | 0.75 | S | S | * | * | | | trans | -93.1 | 105.7 | 152.6 | -163.5 | 178.7 | 88.5 | 0 | 0 | 107.8 | | |
| 130 | G | 42.2 | Very low | 48.3 | Very low | 63 Ų | 63 | 143.8 Ų | 143.8 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | | | trans | 98.3 | 91 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 131 | Q | 39.2 | Very low | 46.7 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | | -179.3 | 108.4 | 112 | -98.7 | 178.1 | -113.4 | 0 | 0 | 110 | | |
| 132 | E | 41.3 | Very low | 45 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | trans | -9.5 | 128.2 | 143.5 | 43.1 | 154.6 | -158.3 | 0 | 0 | 116.3 | | |
| 133 | K | 44 | Very low | 44.5 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | | | | 167.1 | 130.3 | 118.7 | -85.2 | 145.9 | -166.9 | 150.1 | 0 | 110.9 | | |
| 134 | N | 39.3 | Very low | 43.7 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | 6.1 | 134.2 | 153.8 | 58 | 73.2 | 0 | 0 | 0 | 117.8 | | |
| 135 | S | 39.2 | Very low | 42.4 | Very low | 105 Ų | 105 | 147.2 Ų | 147.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | -177.7 | 150.5 | 68.9 | 39 | 0 | 0 | 0 | 0 | 110.3 | | |
| 136 | S | 42.1 | Very low | 41.2 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -39.4 | 143.8 | 170.4 | 51.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 137 | N | 36.8 | Very low | 40.7 | Very low | 150 Ų | 150 | 147.7 Ų | 147.7 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | | | trans | -161.2 | 100.2 | 140.5 | -87.8 | -42.9 | 0 | 0 | 0 | 112.6 | | |
| 138 | F | 37.8 | Very low | 40.4 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 0.5 | 112.8 | 132.8 | -171.3 | -113.2 | 0 | 0 | 0 | 116.1 | E140 | F138-E140 HydrophobicContact CD1-CB 3.8Å; F138-E140 HydrophobicContact CE1-CB 3.19Å; F138-E140 HydrophobicContact CE1-CG 4.17Å; F138-E140 WeakPolarHBondContact CE1-OE2 3.46Å; F138-E140 HydrophobicContact CE2-CB 4.36Å; F138-E140 HydrophobicContact CZ-CB 3.53Å; F138-E140 HydrophobicContact CZ-CG 4.24Å; F138-E140 WeakPolarHBondContact CZ-OE2 3.44Å |
| 139 | I | 40.6 | Very low | 40.2 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 86% | 0.862 | 76% | 0.764 | S | S | * | * | | | trans | -98 | 90.9 | 164.4 | -58.7 | -175.8 | 0 | 0 | 0 | 107.7 | | |
| 140 | E | 35.8 | Very low | 40 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 67% | 0.668 | 75% | 0.748 | S | S | * | * | | | trans | -92.6 | 138.5 | 160.9 | -177.1 | 171.6 | -176.8 | 0 | 0 | 110.1 | F138 | F138-E140 HydrophobicContact CD1-CB 3.8Å; F138-E140 HydrophobicContact CE1-CB 3.19Å; F138-E140 HydrophobicContact CE1-CG 4.17Å; F138-E140 WeakPolarHBondContact CE1-OE2 3.46Å; F138-E140 HydrophobicContact CE2-CB 4.36Å; F138-E140 HydrophobicContact CZ-CB 3.53Å; F138-E140 HydrophobicContact CZ-CG 4.24Å; F138-E140 WeakPolarHBondContact CZ-OE2 3.44Å |
| 141 | R | 38.9 | Very low | 40.2 | Very low | 221 Ų | 221 | 152 Ų | 152 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -68.6 | 136.2 | -177.4 | -58 | 171.6 | 179.3 | 147.4 | -1.9 | 110.7 | | |
| 142 | R | 33.8 | Very low | 40.1 | Very low | 220 Ų | 220 | 150.4 Ų | 150.4 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | | | | 141.6 | 133.8 | 128.1 | -176.5 | 178.2 | -78 | 115.9 | -10.8 | 113.6 | | |
| 143 | P | 49.3 | Very low | 40.8 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -91.1 | 160.6 | 167.6 | 39.3 | -33.5 | 0 | 0 | 0 | 110.9 | | |
| 144 | P | 43.9 | Very low | 40.6 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | | -154.9 | 172.9 | 72.8 | 37.7 | -14.7 | 0 | 0 | 0 | 117.6 | | |
| 145 | E | 30.6 | Very low | 40.4 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | 28.1 | 132.1 | 149 | -66.5 | 174.5 | 85.8 | 0 | 0 | 121 | | |
| 146 | T | 34.2 | Very low | 40.5 | Very low | 135 Ų | 135 | 152.9 Ų | 152.9 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | | 164.9 | 157.1 | 102.7 | 43.4 | 0 | 0 | 0 | 0 | 113 | | |
| 147 | K | 43.5 | Very low | 40.3 | Very low | 193 Ų | 193 | 154.3 Ų | 154.3 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -60.2 | 141.6 | -173.6 | -60.8 | 157.1 | 172.9 | 169.3 | 0 | 115.4 | | |
| 148 | N | 47.4 | Very low | 40.1 | Very low | 156 Ų | 156 | 152.9 Ų | 152.9 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | 159 | 161.2 | 137 | 63.5 | 72.8 | 0 | 0 | 0 | 108.1 | | |
| 149 | R | 40.4 | Very low | 40.6 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | cis | -169.4 | 135.3 | -33.3 | 178.3 | -174 | 176.8 | -154.6 | 1.4 | 102.6 | | |
| 150 | T | 39.4 | Very low | 40.4 | Very low | 100 Ų | 100 | 152 Ų | 152 | 61% | 0.613 | 79% | 0.785 | S | S | * | * | | | trans | 61.3 | 125.6 | 156.8 | 52.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 151 | N | 46.6 | Very low | 40.3 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | | 154.3 | 92 | 127.9 | -69 | -30.4 | 0 | 0 | 0 | 105.8 | | |
| 152 | D | 37.3 | Very low | 40.9 | Very low | 138 Ų | 138 | 151 Ų | 151 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | | 52.5 | 104.3 | 93.8 | -159.4 | -91.6 | 0 | 0 | 0 | 111.5 | | |
| 153 | V | 56.1 | Low | 41.3 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | | -165.8 | 141.6 | 111.3 | -163.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 154 | D | 39 | Very low | 41.3 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -51.4 | 160.9 | -171.6 | -84.4 | -63.9 | 0 | 0 | 0 | 121.4 | | |
| 155 | F | 36.3 | Very low | 41.3 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | | | trans | -39 | 142.2 | 166.4 | -62.6 | -96.5 | 0 | 0 | 0 | 116.2 | | |
| 156 | S | 41.9 | Very low | 42.5 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -141.4 | 119.9 | 142.3 | -81.3 | 0 | 0 | 0 | 0 | 111 | | |
| 157 | T | 35.9 | Very low | 42.9 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | trans | -71.7 | 144.7 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 158 | S | 32.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -145 | 107.1 | 143 | 72.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 159 | S | 48.1 | Very low | 43.5 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | | | trans | -109.7 | 116.6 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 160 | F | 37.8 | Very low | 44.6 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | | | trans | -169.1 | 142.6 | 163.7 | -74.8 | -63.2 | 0 | 0 | 0 | 106 | | |
| 161 | S | 33.8 | Very low | 45.7 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | cis | -167.1 | 147.8 | 0.9 | -173.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 162 | R | 50.2 | Low | 46.1 | Very low | 230 Ų | 230 | 140.6 Ų | 140.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | -76.8 | 141.7 | 174.3 | -70.8 | 174.8 | 168 | -148.7 | -4.4 | 110.5 | | |
| 163 | S | 42.8 | Very low | 46.9 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -145.3 | 128.2 | 148.7 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 164 | K | 48.8 | Very low | 46.9 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | -87.4 | 143.8 | 173.5 | -66 | -164.5 | 173.3 | -177.7 | 0 | 109.1 | | |
| 165 | T | 44.8 | Very low | 47.5 | Very low | 150 Ų | 150 | 138 Ų | 138 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | | | trans | -135.5 | 125.1 | 152.1 | 44.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 166 | K | 55.1 | Low | 48.3 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -89.4 | 127.5 | 173 | 159.3 | -177.6 | 176.6 | 177.5 | 0 | 106.8 | | |
| 167 | T | 43.6 | Very low | 48.4 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -154.8 | 113.3 | 151.6 | -69.6 | 0 | 0 | 0 | 0 | 107.3 | V169 | T167-V169 HydrophobicContact CG2-CG2 4.44Š|
| 168 | G | 51.6 | Low | 49.1 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | | | trans | -76.7 | 136.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 169 | V | 51.4 | Low | 49.9 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | | | trans | -151.5 | 129.3 | 156.1 | -108.9 | 0 | 0 | 0 | 0 | 106 | T167 F172 | T167-V169 HydrophobicContact CG2-CG2 4.44Å; V169-F172 HydrophobicContact CB-CE2 4.44Å |
| 170 | G | 63.5 | Low | 49.7 | Very low | 54 Ų | 54 | 138.8 Ų | 138.8 | 56% | 0.557 | 78% | 0.783 | S | S | * | * | | | trans | -67.2 | 179.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | F172 | G170-F172 PolarHBondContact O-N 2.94Š|
| 171 | P | 62.9 | Low | 49.9 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | -61.1 | 114.1 | -174.8 | 22.5 | -30.7 | 0 | 0 | 0 | 111 | N173 | P171-N173 PolarHBondContact O-N 3.02Š|
| 172 | F | 53.8 | Low | 50 | Low | 175 Ų | 175 | 134 Ų | 134 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | | | trans | -64.6 | 118.8 | 169.7 | -73.8 | -92.7 | 0 | 0 | 0 | 108.6 | V169 G170 P174 | V169-F172 HydrophobicContact CB-CE2 4.44Å; G170-F172 PolarHBondContact O-N 2.94Å; F172-P174 WeakPolarHBondContact O-CD 3.39Å |
| 173 | N | 54.6 | Low | 49.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | -87.9 | 114.7 | 170.8 | -92.6 | -81.7 | 0 | 0 | 0 | 108.9 | P171 G175 | P171-N173 PolarHBondContact O-N 3.02Å; N173-G175 PolarHBondContact O-N 3.27Å; N173-G175 VanDerWaalsContact O-N 3.08Å |
| 174 | P | 56.7 | Low | 49.8 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 90% | 0.896 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 14.7 | -178.9 | -13.2 | 30.1 | 0 | 0 | 0 | 114.8 | F172 | F172-P174 WeakPolarHBondContact O-CD 3.39Š|
| 175 | G | 50.1 | Low | 49.7 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 8.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | N173 | N173-G175 PolarHBondContact O-N 3.27Å; N173-G175 VanDerWaalsContact O-N 3.08Å |
| 176 | R | 54.8 | Low | 49.4 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -131.3 | 70.6 | -175.6 | -160.4 | -168.4 | -172.1 | -83.9 | 2.2 | 112.5 | N178 | R176-N178 WeakPolarHBondContact CG-OD1 3.37Š|
| 177 | M | 43.3 | Very low | 48.5 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 77% | 0.768 | 75% | 0.753 | S | S | * | * | | | trans | -96.4 | 110.5 | 146.4 | 76.5 | 85.4 | 73.3 | 0 | 0 | 106.7 | V179 | M177-V179 HydrophobicContact CE-CB 4.37Å; M177-V179 HydrophobicContact CE-CG2 4.47Å |
| 178 | N | 50.4 | Low | 47.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | | | trans | -114.4 | 90.5 | 168.8 | -47.6 | 2.7 | 0 | 0 | 0 | 103.7 | R176 | R176-N178 WeakPolarHBondContact CG-OD1 3.37Š|
| 179 | V | 49 | Very low | 47.3 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | | | trans | -76.4 | 122.8 | 166.5 | 132.1 | 0 | 0 | 0 | 0 | 107.1 | M177 | M177-V179 HydrophobicContact CE-CB 4.37Å; M177-V179 HydrophobicContact CE-CG2 4.47Å |
| 180 | A | 44.1 | Very low | 47 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 148.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 181 | G | 41.8 | Very low | 46.1 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | 117.6 | 119.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 182 | D | 37 | Very low | 45.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | cis | -155.5 | 157.4 | 10.1 | 180 | -140.8 | 0 | 0 | 0 | 107.9 | | |
| 183 | V | 47.4 | Very low | 44.7 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 56% | 0.564 | 78% | 0.778 | S | S | * | * | | | trans | -30.8 | 128.5 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 184 | F | 40.9 | Very low | 44.3 | Very low | 201 Ų | 201 | 133 Ų | 133 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | | -159.4 | 128.9 | 125.3 | -77.2 | -65 | 0 | 0 | 0 | 110.2 | | |
| 185 | Q | 47.8 | Very low | 43.9 | Very low | 164 Ų | 164 | 132 Ų | 132 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | trans | -88.9 | 147.9 | 176.8 | -60.4 | 174.1 | 38.9 | 0 | 0 | 109.7 | | |
| 186 | N | 36.7 | Very low | 44 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | | 156.2 | 114.7 | 124.8 | -74.8 | -15.6 | 0 | 0 | 0 | 112.3 | | |
| 187 | G | 36.4 | Very low | 44.1 | Very low | 80 Ų | 80 | 130.2 Ų | 130.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | 56.6 | 146.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 188 | E | 31.4 | Very low | 44.9 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | cis | -175.6 | 143.6 | -1 | 177.6 | 158.8 | 78.9 | 0 | 0 | 104.5 | | |
| 189 | S | 40.1 | Very low | 45.1 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | 55.7 | 107.8 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 120 | T191 | S189-T191 PolarHBondContact O-N 3.02Š|
| 190 | A | 45.1 | Very low | 45.3 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -51.7 | 130.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 191 | T | 43.7 | Very low | 45.5 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -140.4 | 119.6 | 143.7 | -43.5 | 0 | 0 | 0 | 0 | 107.8 | S189 H193 | S189-T191 PolarHBondContact O-N 3.02Å; T191-H193 PolarHBondContact O-N 3.06Å |
| 192 | H | 45.5 | Very low | 45.5 | Very low | 188 Ų | 188 | 140 Ų | 140 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -39.5 | 114.7 | 172.9 | -120.7 | -115.4 | 0 | 0 | 0 | 111.3 | N194 | H192-N194 PolarHBondContact O-N 3.34Š|
| 193 | H | 42.5 | Very low | 45.9 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 80% | 0.801 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 116.4 | 168.7 | 64.3 | -80 | 0 | 0 | 0 | 108.1 | T191 | T191-H193 PolarHBondContact O-N 3.06Š|
| 194 | N | 45.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 60% | 0.604 | 79% | 0.785 | S | S | * | * | | | trans | -88 | 127.1 | 174 | 179.6 | -43.8 | 0 | 0 | 0 | 107.9 | H192 D196 | H192-N194 PolarHBondContact O-N 3.34Å; N194-D196 PolarHBondContact O-N 2.79Å; N194-D196 WeakPolarHBondContact OD1-CB 3.11Å; N194-D196 PolarHBondContact OD1-N 3.5Å |
| 195 | P | 48.7 | Very low | 46.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -79.3 | 15.4 | -175.8 | 31.1 | -34.3 | 0 | 0 | 0 | 115.8 | | |
| 196 | D | 51.1 | Low | 46.4 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | -114.7 | 33 | -171.7 | -105.8 | -63.7 | 0 | 0 | 0 | 116.1 | N194 | N194-D196 PolarHBondContact O-N 2.79Å; N194-D196 WeakPolarHBondContact OD1-CB 3.11Å; N194-D196 PolarHBondContact OD1-N 3.5Å |
| 197 | S | 57.1 | Low | 47 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -107.1 | 24.4 | -178.1 | -68.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 198 | W | 59.4 | Low | 47.5 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -91.3 | -1.1 | -178.6 | 76.8 | -73.9 | 0 | 0 | 0 | 115.4 | S200 | W198-S200 PolarHBondContact O-N 3.35Š|
| 199 | I | 56.2 | Low | 48.2 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | -93.2 | 101.7 | 179.2 | -43.4 | 175.1 | 0 | 0 | 0 | 110 | | |
| 200 | S | 51.4 | Low | 48.4 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | 131.4 | 76.3 | 150.4 | -60.4 | 0 | 0 | 0 | 0 | 113.5 | W198 | W198-S200 PolarHBondContact O-N 3.35Š|
| 201 | Q | 48.7 | Very low | 48.3 | Very low | 200 Ų | 200 | 153.1 Ų | 153.1 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | | | trans | -121 | 95.4 | 146.3 | -70.3 | -154.8 | 88.2 | 0 | 0 | 108.8 | A203 | Q201-A203 PolarHBondContact O-N 2.97Å; Q201-A203 VanDerWaalsContact O-N 3.13Å |
| 202 | S | 42.3 | Very low | 48.4 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -56.6 | 107.7 | 174.4 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | S204 | S202-S204 PolarHBondContact O-N 2.91Š|
| 203 | A | 45.5 | Very low | 48.2 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -66.9 | 115.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q201 | Q201-A203 PolarHBondContact O-N 2.97Å; Q201-A203 VanDerWaalsContact O-N 3.13Å |
| 204 | S | 46.3 | Very low | 48.1 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -66.1 | 130.6 | 174.3 | -70.4 | 0 | 0 | 0 | 0 | 110.5 | S202 | S202-S204 PolarHBondContact O-N 2.91Š|
| 205 | F | 49.8 | Very low | 48.1 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | trans | -60.3 | 137.4 | 173.6 | -62.3 | -87.3 | 0 | 0 | 0 | 111.5 | R207 | F205-R207 PolarHBondContact O-N 2.74Å; F205-R207 VanDerWaalsContact O-N 3.12Å |
| 206 | P | 50.7 | Low | 47.6 | Very low | 130 Ų | 130 | 148.5 Ų | 148.5 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | | | trans | -67.3 | 114.1 | 164.4 | 26.2 | -29.4 | 0 | 0 | 0 | 109.3 | N208 | P206-N208 PolarHBondContact O-N 2.67Š|
| 207 | R | 48.5 | Very low | 47.5 | Very low | 237 Ų | 237 | 150.9 Ų | 150.9 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | | | trans | -61.6 | 120.5 | 178.6 | 178.6 | 173.4 | 169.5 | 146.6 | -5.4 | 110.7 | F205 Q209 | F205-R207 PolarHBondContact O-N 2.74Å; F205-R207 VanDerWaalsContact O-N 3.12Å; R207-Q209 PolarHBondContact O-N 2.8Å |
| 208 | N | 46.8 | Very low | 46.6 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | | | trans | -49.9 | 115.6 | 167.3 | -125.9 | -88.9 | 0 | 0 | 0 | 110.5 | P206 | P206-N208 PolarHBondContact O-N 2.67Š|
| 209 | Q | 46.3 | Very low | 46.1 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -115.1 | 117.1 | 168.4 | -163.2 | -178.1 | 97.7 | 0 | 0 | 109.1 | R207 | R207-Q209 PolarHBondContact O-N 2.8Š|
| 210 | K | 45.5 | Very low | 45.6 | Very low | 187 Ų | 187 | 144.9 Ų | 144.9 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | | | trans | -44.2 | 143.1 | 174.1 | -99.3 | 100.1 | 170.7 | -165.5 | 0 | 112.8 | | |
| 211 | Q | 41.7 | Very low | 45.3 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | | | trans | -120.8 | 141.7 | 135.4 | -75.5 | -139.5 | -49.4 | 0 | 0 | 110.9 | | |
| 212 | P | 46.1 | Very low | 45.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | | | trans | -88.5 | 140.7 | -171.1 | -3.8 | 25.1 | 0 | 0 | 0 | 113.2 | | |
| 213 | G | 41.5 | Very low | 45.5 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | | | trans | 27.6 | 120.9 | 149 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 214 | V | 41.4 | Very low | 45.5 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | | | | -147.4 | 123.7 | 127.6 | -79.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 215 | D | 44.9 | Very low | 45.5 | Very low | 163 Ų | 163 | 148 Ų | 148 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | -64.3 | 138.2 | 169.4 | -58.3 | -87.7 | 0 | 0 | 0 | 111.1 | | |
| 216 | S | 37.7 | Very low | 45.2 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -150.6 | 107.2 | 153.3 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 217 | L | 49.6 | Very low | 44.9 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | trans | -84.7 | 134.8 | 171.9 | -70.9 | 169.1 | 0 | 0 | 0 | 110.8 | | |
| 218 | S | 38.2 | Very low | 44.4 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 86.1 | 159 | 148.8 | -140.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 219 | P | 49.4 | Very low | 44.3 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | cis | -127.1 | 160.1 | -18.8 | 16.4 | 7.8 | 0 | 0 | 0 | 115 | | |
| 220 | V | 46 | Very low | 43.8 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 24.8 | 108.3 | 142 | -170.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 221 | A | 44.8 | Very low | 43.5 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -132.2 | 104.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | L223 | A221-L223 PolarHBondContact O-N 3.36Š|
| 222 | S | 48.2 | Very low | 43.5 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -61.1 | 109.5 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 223 | L | 45.8 | Very low | 43.5 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -95.6 | 136.9 | 164 | -132.7 | 66.3 | 0 | 0 | 0 | 108.3 | A221 K225 | A221-L223 PolarHBondContact O-N 3.36Å; L223-K225 PolarHBondContact O-N 3.41Å |
| 224 | P | 46.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -61.2 | 131.8 | -170.6 | 22.7 | -32 | 0 | 0 | 0 | 111 | Q226 | P224-Q226 VanDerWaalsContact C-N 3.26Å; P224-Q226 PolarHBondContact O-N 2.8Å |
| 225 | K | 45.3 | Very low | 43.6 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | -52.7 | 89.9 | 163.5 | -80 | 162.8 | 172 | 170.4 | 0 | 108.9 | L223 I227 | L223-K225 PolarHBondContact O-N 3.41Å; K225-I227 VanDerWaalsContact C-N 3.26Å; K225-I227 PolarHBondContact O-N 2.81Å; K225-I227 VanDerWaalsContact O-N 3.09Å |
| 226 | Q | 44.6 | Very low | 43.4 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | | | trans | -68.7 | 99.2 | 149.9 | -92.6 | -73.2 | -34.4 | 0 | 0 | 105.5 | P224 F228 | P224-Q226 VanDerWaalsContact C-N 3.26Å; P224-Q226 PolarHBondContact O-N 2.8Å; Q226-F228 HydrophobicContact CB-CD2 4.09Å; Q226-F228 HydrophobicContact CB-CE2 4.09Å; Q226-F228 PolarHBondContact O-N 2.96Å |
| 227 | I | 42.8 | Very low | 43.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -62.3 | 80.9 | 165 | -60.5 | 161.3 | 0 | 0 | 0 | 105.6 | K225 Q229 | K225-I227 VanDerWaalsContact C-N 3.26Å; K225-I227 PolarHBondContact O-N 2.81Å; K225-I227 VanDerWaalsContact O-N 3.09Å; I227-Q229 HydrophobicContact CG2-CG 4.2Å; I227-Q229 PolarHBondContact O-N 3.5Å; I227-Q229 VanDerWaalsContact O-N 3.12Å |
| 228 | F | 39.5 | Very low | 44.1 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | | | trans | -72.5 | 96.1 | 150.4 | -79.7 | -82.5 | 0 | 0 | 0 | 104.7 | Q226 P230 | Q226-F228 HydrophobicContact CB-CD2 4.09Å; Q226-F228 HydrophobicContact CB-CE2 4.09Å; Q226-F228 PolarHBondContact O-N 2.96Å; F228-P230 WeakPolarHBondContact O-CD 3.31Å; F228-P230 VanDerWaalsContact O-N 3.15Å |
| 229 | Q | 43.2 | Very low | 44.7 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | trans | -50.5 | 115.9 | 155.2 | -84.1 | 179 | -21.5 | 0 | 0 | 106.7 | I227 S231 | I227-Q229 HydrophobicContact CG2-CG 4.2Å; I227-Q229 PolarHBondContact O-N 3.5Å; I227-Q229 VanDerWaalsContact O-N 3.12Å; Q229-S231 VanDerWaalsContact C-N 3.29Å; Q229-S231 PolarHBondContact O-N 3.31Å; Q229-S231 VanDerWaalsContact O-N 3.09Å |
| 230 | P | 37.2 | Very low | 45.7 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 104.2 | 150.8 | 30.4 | -24.2 | 0 | 0 | 0 | 103.8 | F228 V232 | F228-P230 WeakPolarHBondContact O-CD 3.31Å; F228-P230 VanDerWaalsContact O-N 3.15Å; P230-V232 HydrophobicContact CB-CG1 4.44Å; P230-V232 PolarHBondContact O-N 2.99Å |
| 231 | S | 39.2 | Very low | 47.4 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -68.1 | 79.2 | 158.1 | -158.4 | 0 | 0 | 0 | 0 | 106 | Q229 Q233 | Q229-S231 VanDerWaalsContact C-N 3.29Å; Q229-S231 PolarHBondContact O-N 3.31Å; Q229-S231 VanDerWaalsContact O-N 3.09Å; S231-Q233 PolarHBondContact O-N 2.73Å |
| 232 | V | 41.3 | Very low | 49.6 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | | | trans | -66.9 | 72.6 | 158.6 | -86.1 | 0 | 0 | 0 | 0 | 106.3 | P230 Q234 | P230-V232 HydrophobicContact CB-CG1 4.44Å; P230-V232 PolarHBondContact O-N 2.99Å; V232-Q234 PolarHBondContact O-N 3.05Å |
| 233 | Q | 45.5 | Very low | 51.9 | Low | 161 Ų | 161 | 133.6 Ų | 133.6 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | | | trans | -68.7 | 91 | 140.1 | -83 | -173.7 | 24.4 | 0 | 0 | 104.8 | S231 Q235 | S231-Q233 PolarHBondContact O-N 2.73Å; Q233-Q235 PolarHBondContact O-N 2.82Å |
| 234 | Q | 44.5 | Very low | 54.3 | Low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.794 | 67% | 0.666 | S | S | * | * | | | trans | -53 | 84.2 | 152 | -72.7 | 175.4 | -2 | 0 | 0 | 106.1 | V232 P236 | V232-Q234 PolarHBondContact O-N 3.05Å; Q234-P236 VanDerWaalsContact O-CD 3.32Å; Q234-P236 WeakPolarHBondContact O-CD 3.46Å |
| 235 | Q | 42 | Very low | 56.6 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | | | trans | -69.7 | 119.5 | 166.5 | -145.2 | 172.3 | 14 | 0 | 0 | 103.9 | Q233 T237 | Q233-Q235 PolarHBondContact O-N 2.82Å; Q235-T237 PolarHBondContact O-N 3.18Å; Q235-T237 VanDerWaalsContact O-N 3.11Å |
| 236 | P | 40.8 | Very low | 59.1 | Low | 88 Ų | 88 | 114.5 Ų | 114.5 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | | | trans | -52.2 | 127.4 | -178.2 | -23.6 | 32.4 | 0 | 0 | 0 | 107.6 | Q234 K238 | Q234-P236 VanDerWaalsContact O-CD 3.32Å; Q234-P236 WeakPolarHBondContact O-CD 3.46Å; P236-K238 HydrophobicContact CB-CG 4.12Å; P236-K238 PolarHBondContact O-N 3.49Å |
| 237 | T | 44.8 | Very low | 61.6 | Low | 152 Ų | 152 | 109.8 Ų | 109.8 | 93% | 0.933 | 59% | 0.591 | S | S | * | * | | | trans | -64.5 | 63 | 169.7 | 27.1 | 0 | 0 | 0 | 0 | 109 | Q235 | Q235-T237 PolarHBondContact O-N 3.18Å; Q235-T237 VanDerWaalsContact O-N 3.11Å |
| 238 | K | 56.8 | Low | 64.1 | Low | 156 Ų | 156 | 109.8 Ų | 109.8 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | | | trans | -70.2 | 137.6 | 161.9 | -65.6 | 177 | -175 | -175.8 | 0 | 105.1 | P236 V240 | P236-K238 HydrophobicContact CB-CG 4.12Å; P236-K238 PolarHBondContact O-N 3.49Å; K238-V240 PolarHBondContact O-N 3.13Å |
| 239 | P | 50.7 | Low | 66.8 | Low | 127 Ų | 127 | 107.9 Ų | 107.9 | 83% | 0.825 | 58% | 0.577 | S | S | * | * | | | trans | -50.4 | 117.9 | 172.8 | 21.7 | -31.9 | 0 | 0 | 0 | 107.6 | K241 | P239-K241 VanDerWaalsContact C-N 3.3Å; P239-K241 PolarHBondContact O-N 3.33Å |
| 240 | V | 69.1 | Low | 69.2 | Low | 135 Ų | 135 | 102.7 Ų | 102.7 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | | | trans | -64.6 | 98.2 | -175.1 | 176.3 | 0 | 0 | 0 | 0 | 106.5 | K238 V242 | K238-V240 PolarHBondContact O-N 3.13Å; V240-V242 PolarHBondContact O-N 3.14Å |
| 241 | K | 81.8 | Confident | 71.9 | Confident | 131 Ų | 131 | 98.7 Ų | 98.7 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | | | trans | -69.5 | 106.1 | 178.3 | -163.4 | 178.1 | -156.9 | -164 | 0 | 106.6 | P239 T243 P250 | P239-K241 VanDerWaalsContact C-N 3.3Å; P239-K241 PolarHBondContact O-N 3.33Å; K241-T243 PolarHBondContact O-N 3.17Å; K241-P250 HydrophobicContact CD-CB 3.61Å; K241-P250 HydrophobicContact CG-CB 3.95Å; K241-P250 VanDerWaalsContact NZ-CB 3.33Å |
| 242 | V | 91.5 | Very high | 74.4 | Confident | 68 Ų | 68 | 100 Ų | 100 | 41% | 0.412 | 53% | 0.526 | S | S | . | . | | | trans | -61.7 | 128.9 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 107.7 | V240 L251 L266 | V240-V242 PolarHBondContact O-N 3.14Å; V242-L251 HydrophobicContact CG1-CB 4.48Å; V242-L251 HydrophobicContact CG1-CD1 4.08Å; V242-L251 PolarHBondContact O-N 2.92Å; V242-L266 HydrophobicContact CG1-CB 4.48Å; V242-L266 HydrophobicContact CG1-CD1 3.27Å; V242-L266 HydrophobicContact CG1-CG 4.45Å |
| 243 | T | 95.9 | Very high | 76.7 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | B | Isolated β-bridge | trans | -129.2 | 150.9 | -176.1 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | K241 A245 K249 P250 | K241-T243 PolarHBondContact O-N 3.17Å; T243-A245 PolarHBondContact O-N 2.9Å; T243-K249 CarbonylContact C-O 3.57Å; T243-K249 WeakPolarHBondContact CA-O 3.32Å; T243-P250 HydrophobicContact CG2-CB 4.39Å |
| 244 | C | 96.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 100.6 Ų | 100.6 | 0% | 0 | 54% | 0.541 | C | S | . | . | | | trans | -63.3 | 127.4 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | N246 C247 K248 K249 L266 C268 | C244-N246 VanDerWaalsContact C-N 3.26Å; C244-N246 PolarHBondContact O-N 2.96Å; C244-C247 VanDerWaalsContact CB-SG 3.58Å; C244-C247 PolarHBondContact SG-SG 3.41Å; C244-K248 WeakPolarHBondContact O-CA 3.39Å; C244-K248 PolarHBondContact O-N 3.4Å; C244-K249 PolarHBondContact N-O 2.86Å; C244-L266 CarbonylContact C-O 3.5Å; C244-L266 VanDerWaalsContact CA-O 3.31Å; C244-L266 WeakPolarHBondContact CA-O 3.25Å; C244-C268 HydrophobicContact CB-CB 4.1Å; C244-C268 PolarHBondContact SG-N 3.4Å; C244-C268 VanDerWaalsContact SG-N 3.42Å; C244-C268 VanDerWaalsContact SG-SG 3.69Å |
| 245 | A | 96.7 | Very high | 81.1 | Confident | 7 Ų | 7 | 97.2 Ų | 97.2 | 6% | 0.058 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -31.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T243 K248 H265 L266 F267 F276 | T243-A245 PolarHBondContact O-N 2.9Å; A245-K248 WeakPolarHBondContact O-CE 3.36Å; A245-K248 PolarHBondContact O-NZ 3.48Å; A245-H265 HydrophobicContact CB-CB 3.73Å; A245-L266 PolarHBondContact N-O 2.76Å; A245-F267 HydrophobicContact CB-CD1 4.29Å; A245-F267 HydrophobicContact CB-CE1 3.74Å; A245-F267 HydrophobicContact CB-CZ 4.15Å; A245-F276 HydrophobicContact CB-CD2 4.33Å; A245-F276 HydrophobicContact CB-CE1 4.31Å; A245-F276 HydrophobicContact CB-CE2 3.88Å; A245-F276 HydrophobicContact CB-CZ 3.86Å; A245-F276 WeakPolarHBondContact O-CE2 3.31Å |
| 246 | N | 97.3 | Very high | 83.5 | Confident | 63 Ų | 63 | 94.7 Ų | 94.7 | 34% | 0.337 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -70.5 | 177.6 | -169.5 | 35.3 | 0 | 0 | 0 | 112.5 | C244 K248 F267 C272 F276 | C244-N246 VanDerWaalsContact C-N 3.26Å; C244-N246 PolarHBondContact O-N 2.96Å; N246-K248 VanDerWaalsContact C-N 3.33Å; N246-K248 PolarHBondContact O-N 2.69Å; N246-F267 HydrophobicContact CB-CD1 4.24Å; N246-F267 HydrophobicContact CB-CE1 4.43Å; N246-C272 HydrophobicContact CB-CB 3.81Å; N246-F276 HydrophobicContact CB-CB 4.18Å; N246-F276 HydrophobicContact CB-CD2 4.13Å |
| 247 | C | 96.6 | Very high | 86.2 | Confident | 47 Ų | 47 | 92.3 Ų | 92.3 | 32% | 0.318 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 2.1 | -171.6 | 67.3 | 0 | 0 | 0 | 0 | 114.5 | C244 K249 C268 | C244-C247 VanDerWaalsContact CB-SG 3.58Å; C244-C247 PolarHBondContact SG-SG 3.41Å; C247-K249 HydrophobicContact CB-CG 4.33Å; C247-K249 PolarHBondContact O-N 3.43Å; C247-K249 VanDerWaalsContact SG-CG 3.51Å; C247-C268 PolarHBondContact SG-SG 3.42Å |
| 248 | K | 96.4 | Very high | 88.6 | Confident | 140 Ų | 140 | 89.7 Ų | 89.7 | 61% | 0.609 | 48% | 0.482 | S | S | * | . | | | trans | 56 | 10.5 | -178.5 | -52.2 | -54.6 | -173.8 | -165 | 0 | 115.2 | C244 A245 N246 | C244-K248 WeakPolarHBondContact O-CA 3.39Å; C244-K248 PolarHBondContact O-N 3.4Å; A245-K248 WeakPolarHBondContact O-CE 3.36Å; A245-K248 PolarHBondContact O-NZ 3.48Å; N246-K248 VanDerWaalsContact C-N 3.33Å; N246-K248 PolarHBondContact O-N 2.69Å |
| 249 | K | 95.9 | Very high | 90.5 | Very high | 129 Ų | 129 | 87.9 Ų | 87.9 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 135.2 | 175.9 | -69.4 | 177.3 | -159.9 | -79.2 | 0 | 109.4 | T243 C244 C247 L251 | T243-K249 CarbonylContact C-O 3.57Å; T243-K249 WeakPolarHBondContact CA-O 3.32Å; C244-K249 PolarHBondContact N-O 2.86Å; C247-K249 HydrophobicContact CB-CG 4.33Å; C247-K249 PolarHBondContact O-N 3.43Å; C247-K249 VanDerWaalsContact SG-CG 3.51Å; K249-L251 PolarHBondContact O-N 3.48Å |
| 250 | P | 94.1 | Very high | 92.7 | Very high | 51 Ų | 51 | 86.6 Ų | 86.6 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 136 | 172.7 | 27.6 | -33.7 | 0 | 0 | 0 | 111 | K241 T243 | K241-P250 HydrophobicContact CD-CB 3.61Å; K241-P250 HydrophobicContact CG-CB 3.95Å; K241-P250 VanDerWaalsContact NZ-CB 3.33Å; T243-P250 HydrophobicContact CG2-CB 4.39Å |
| 251 | L | 93.8 | Very high | 94 | Very high | 17 Ų | 17 | 90.8 Ų | 90.8 | 9% | 0.089 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 133.3 | 171 | -61.8 | 176.6 | 0 | 0 | 0 | 108.2 | V242 K249 A257 L266 C268 | V242-L251 HydrophobicContact CG1-CB 4.48Å; V242-L251 HydrophobicContact CG1-CD1 4.08Å; V242-L251 PolarHBondContact O-N 2.92Å; K249-L251 PolarHBondContact O-N 3.48Å; L251-A257 HydrophobicContact CD1-CB 3.76Å; L251-L266 HydrophobicContact CD1-CB 3.94Å; L251-C268 HydrophobicContact CD2-CB 3.58Å |
| 252 | Q | 91.6 | Very high | 94.5 | Very high | 126 Ų | 126 | 88.9 Ų | 88.9 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 152.1 | 177 | -62.1 | -65.5 | -11.6 | 0 | 0 | 110.2 | G254 Q255 | Q252-G254 PolarHBondContact O-N 2.81Å; Q252-Q255 WeakPolarHBondContact O-CB 3.42Å; Q252-Q255 PolarHBondContact O-N 3.11Å; Q252-Q255 VanDerWaalsContact O-N 3.13Å |
| 253 | K | 88.9 | Confident | 94.6 | Very high | 199 Ų | 199 | 87.1 Ų | 87.1 | 87% | 0.865 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 129.8 | 171.9 | -172.7 | 179.3 | 179.9 | -177.4 | 0 | 108.9 | | |
| 254 | G | 90.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 88.7 Ų | 88.7 | 87% | 0.866 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -2.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q252 | Q252-G254 PolarHBondContact O-N 2.81Š|
| 255 | Q | 91.3 | Very high | 94.5 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | | | trans | -82 | 138.2 | 171.3 | -170.8 | 179.4 | 2.4 | 0 | 0 | 110.8 | Q252 A257 | Q252-Q255 WeakPolarHBondContact O-CB 3.42Å; Q252-Q255 PolarHBondContact O-N 3.11Å; Q252-Q255 VanDerWaalsContact O-N 3.13Å; Q255-A257 PolarHBondContact O-N 3.45Å |
| 256 | T | 93.6 | Very high | 94.5 | Very high | 108 Ų | 108 | 95 Ų | 95 | 66% | 0.663 | 52% | 0.519 | S | S | * | . | | | trans | -64.6 | 132.3 | 170 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 257 | A | 96.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 92 Ų | 92 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | | | trans | -130.6 | 151.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | L251 Q255 F267 | L251-A257 HydrophobicContact CD1-CB 3.76Å; Q255-A257 PolarHBondContact O-N 3.45Å; A257-F267 WeakPolarHBondContact CA-O 3.17Å |
| 258 | Y | 96.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 91.1 Ų | 91.1 | 38% | 0.376 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 143.3 | 178.3 | -57.8 | -91.8 | 0 | 0 | 0 | 110.4 | L266 F267 T270 | Y258-L266 CarbonylContact O-C 3.51Å; Y258-L266 WeakPolarHBondContact O-CA 3.43Å; Y258-F267 PolarHBondContact N-O 3.11Å; Y258-F267 WeakPolarHBondContact O-CD2 3.38Å; Y258-F267 PolarHBondContact O-N 2.97Å; Y258-T270 HydrophobicContact CD1-CG2 4.25Å; Y258-T270 HydrophobicContact CE1-CG2 3.67Å; Y258-T270 HydrophobicContact CE2-CG2 4.15Å |
| 259 | Q | 97.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.6 | 177 | -167.8 | 171.1 | 8.5 | 0 | 0 | 109.2 | S263 L266 | Q259-S263 VanDerWaalsContact CG-O 3.25Å; Q259-S263 WeakPolarHBondContact CG-O 3.37Å; Q259-S263 PolarHBondContact NE2-O 3.26Å; Q259-L266 HydrophobicContact CB-CD2 3.83Å; Q259-L266 HydrophobicContact CG-CD2 4.01Å |
| 260 | R | 95.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | | | trans | -72.7 | 140.3 | 171.7 | -68.6 | -175.5 | 176.8 | 150 | -7.4 | 109.1 | G262 S263 F267 L273 F276 | R260-G262 PolarHBondContact O-N 3.4Å; R260-S263 PolarHBondContact O-N 3.18Å; R260-F267 HydrophobicContact CG-CE2 4.39Å; R260-L273 HydrophobicContact CG-CD1 3.41Å; R260-L273 VanDerWaalsContact CG-CD1 3.41Å; R260-L273 VanDerWaalsContact CZ-O 3.27Å; R260-L273 PolarHBondContact NE-O 3Å; R260-L273 PolarHBondContact NH2-O 3.08Å; R260-F276 PolarHBondContact NH1-OXT 2.63Å; R260-F276 PolarHBondContact NH2-OXT 2.83Å |
| 261 | K | 95.9 | Very high | 94.7 | Very high | 222 Ų | 222 | 85.7 Ų | 85.7 | 97% | 0.965 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 123.5 | 173.5 | -162.7 | 80.7 | 168.3 | -170.1 | 0 | 109 | | |
| 262 | G | 94.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 85.5 Ų | 85.5 | 94% | 0.938 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 6.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R260 | R260-G262 PolarHBondContact O-N 3.4Š|
| 263 | S | 93.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 81.4 Ų | 81.4 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | | | trans | -113.7 | 144.3 | 176.4 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | Q259 R260 H265 | Q259-S263 VanDerWaalsContact CG-O 3.25Å; Q259-S263 WeakPolarHBondContact CG-O 3.37Å; Q259-S263 PolarHBondContact NE2-O 3.26Å; R260-S263 PolarHBondContact O-N 3.18Å; S263-H265 VanDerWaalsContact C-N 3.28Å; S263-H265 WeakPolarHBondContact OG-CB 3.4Å; S263-H265 PolarHBondContact OG-CD2 3.26Å; S263-H265 PolarHBondContact OG-N 2.91Å |
| 264 | A | 93.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 76.3 Ų | 76.3 | 78% | 0.777 | 46% | 0.458 | S | S | * | . | | | trans | -84.3 | 0.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 265 | H | 96.1 | Very high | 95.7 | Very high | 93 Ų | 93 | 76.2 Ų | 76.2 | 43% | 0.431 | 44% | 0.444 | S | S | . | . | | | trans | -82.2 | 130.5 | -178.3 | -66.8 | -61.6 | 0 | 0 | 0 | 112.2 | A245 S263 F267 F276 | A245-H265 HydrophobicContact CB-CB 3.73Å; S263-H265 VanDerWaalsContact C-N 3.28Å; S263-H265 WeakPolarHBondContact OG-CB 3.4Å; S263-H265 PolarHBondContact OG-CD2 3.26Å; S263-H265 PolarHBondContact OG-N 2.91Å; H265-F267 HydrophobicContact CB-CE2 4Å; H265-F267 HydrophobicContact CB-CZ 3.84Å; H265-F267 WeakPolarHBondContact O-CE2 3.2Å; H265-F276 HydrophobicContact CB-CE1 4.46Å; H265-F276 AromaticContact CD2-CE1 3.87Å |
| 266 | L | 96.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 76.4 Ų | 76.4 | 25% | 0.246 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.5 | 177 | -64.5 | 173.2 | 0 | 0 | 0 | 111.3 | V242 C244 A245 L251 Y258 Q259 | V242-L266 HydrophobicContact CG1-CB 4.48Å; V242-L266 HydrophobicContact CG1-CD1 3.27Å; V242-L266 HydrophobicContact CG1-CG 4.45Å; C244-L266 CarbonylContact C-O 3.5Å; C244-L266 VanDerWaalsContact CA-O 3.31Å; C244-L266 WeakPolarHBondContact CA-O 3.25Å; A245-L266 PolarHBondContact N-O 2.76Å; L251-L266 HydrophobicContact CD1-CB 3.94Å; Y258-L266 CarbonylContact O-C 3.51Å; Y258-L266 WeakPolarHBondContact O-CA 3.43Å; Q259-L266 HydrophobicContact CB-CD2 3.83Å; Q259-L266 HydrophobicContact CG-CD2 4.01Å |
| 267 | F | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.3 | -176.6 | -55 | -83.3 | 0 | 0 | 0 | 111.6 | A245 N246 A257 Y258 R260 H265 S269 C272 L273 F276 | A245-F267 HydrophobicContact CB-CD1 4.29Å; A245-F267 HydrophobicContact CB-CE1 3.74Å; A245-F267 HydrophobicContact CB-CZ 4.15Å; N246-F267 HydrophobicContact CB-CD1 4.24Å; N246-F267 HydrophobicContact CB-CE1 4.43Å; A257-F267 WeakPolarHBondContact CA-O 3.17Å; Y258-F267 PolarHBondContact N-O 3.11Å; Y258-F267 WeakPolarHBondContact O-CD2 3.38Å; Y258-F267 PolarHBondContact O-N 2.97Å; R260-F267 HydrophobicContact CG-CE2 4.39Å; H265-F267 HydrophobicContact CB-CE2 4Å; H265-F267 HydrophobicContact CB-CZ 3.84Å; H265-F267 WeakPolarHBondContact O-CE2 3.2Å; F267-S269 VanDerWaalsContact C-N 3.33Å; F267-S269 PolarHBondContact O-N 3.2Å; F267-C272 HydrophobicContact CB-CB 4.11Å; F267-C272 HydrophobicContact CD1-CB 4.19Å; F267-C272 WeakPolarHBondContact CD1-O 3.4Å; F267-L273 HydrophobicContact CB-CB 4.15Å; F267-L273 HydrophobicContact CD2-CB 4.18Å; F267-L273 HydrophobicContact CD2-CD1 3.34Å; F267-L273 HydrophobicContact CD2-CG 4.38Å; F267-L273 HydrophobicContact CE2-CD1 3.55Å; F267-L273 HydrophobicContact CG-CB 4.1Å; F267-L273 HydrophobicContact CG-CD1 4.11Å; F267-L273 HydrophobicContact CZ-CD1 4.46Å; F267-F276 HydrophobicContact CD1-CB 4.33Å; F267-F276 HydrophobicContact CE1-CB 3.41Å; F267-F276 VanDerWaalsContact CE1-CB 3.41Å; F267-F276 AromaticContact CE1-CD1 3.58Å; F267-F276 HydrophobicContact CE1-CD1 3.58Å; F267-F276 HydrophobicContact CE1-CD2 4.07Å; F267-F276 HydrophobicContact CE1-CE1 4.31Å; F267-F276 AromaticContact CE1-CG 3.42Å; F267-F276 HydrophobicContact CE1-CG 3.42Å; F267-F276 VanDerWaalsContact CE1-CG 3.42Å; F267-F276 HydrophobicContact CZ-CB 3.98Å; F267-F276 AromaticContact CZ-CD1 3.45Å; F267-F276 HydrophobicContact CZ-CD1 3.45Å; F267-F276 VanDerWaalsContact CZ-CD1 3.45Å; F267-F276 HydrophobicContact CZ-CE1 4.06Å; F267-F276 AromaticContact CZ-CG 3.83Å; F267-F276 HydrophobicContact CZ-CG 3.83Å |
| 268 | C | 96.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 76.7 Ų | 76.7 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -77.8 | -13.7 | -179.5 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | C244 C247 L251 | C244-C268 HydrophobicContact CB-CB 4.1Å; C244-C268 PolarHBondContact SG-N 3.4Å; C244-C268 VanDerWaalsContact SG-N 3.42Å; C244-C268 VanDerWaalsContact SG-SG 3.69Å; C247-C268 PolarHBondContact SG-SG 3.42Å; L251-C268 HydrophobicContact CD2-CB 3.58Å |
| 269 | S | 96.8 | Very high | 95.8 | Very high | 37 Ų | 37 | 75.6 Ų | 75.6 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -156.7 | 161.4 | -179.3 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | F267 T271 C272 L273 | F267-S269 VanDerWaalsContact C-N 3.33Å; F267-S269 PolarHBondContact O-N 3.2Å; S269-T271 PolarHBondContact O-N 3.24Å; S269-C272 PolarHBondContact O-N 3.32Å; S269-C272 VanDerWaalsContact O-N 3.11Å; S269-C272 PolarHBondContact OG-N 3.15Å; S269-L273 PolarHBondContact O-N 3.07Å |
| 270 | T | 96.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.491 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -33.5 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | Y258 L273 S274 | Y258-T270 HydrophobicContact CD1-CG2 4.25Å; Y258-T270 HydrophobicContact CE1-CG2 3.67Å; Y258-T270 HydrophobicContact CE2-CG2 4.15Å; T270-L273 WeakPolarHBondContact O-CB 3.19Å; T270-L273 PolarHBondContact O-N 2.88Å; T270-S274 PolarHBondContact O-N 3.23Å; T270-S274 PolarHBondContact O-OG 3.36Å |
| 271 | T | 97.9 | Very high | 95.7 | Very high | 89 Ų | 89 | 71.4 Ų | 71.4 | 55% | 0.546 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.6 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | S269 L273 S274 S275 | S269-T271 PolarHBondContact O-N 3.24Å; T271-L273 VanDerWaalsContact C-N 3.25Å; T271-L273 PolarHBondContact O-N 3.4Å; T271-S274 PolarHBondContact O-N 3.43Å; T271-S274 PolarHBondContact O-OG 3.28Å; T271-S275 WeakPolarHBondContact O-CB 3.01Å; T271-S275 PolarHBondContact O-N 3.27Å; T271-S275 PolarHBondContact O-OG 3.08Å; T271-S275 VanDerWaalsContact O-OG 3.08Å |
| 272 | C | 97.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 61.3 Ų | 61.3 | 8% | 0.081 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.6 | -31.8 | 176.6 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | N246 F267 S269 F276 | N246-C272 HydrophobicContact CB-CB 3.81Å; F267-C272 HydrophobicContact CB-CB 4.11Å; F267-C272 HydrophobicContact CD1-CB 4.19Å; F267-C272 WeakPolarHBondContact CD1-O 3.4Å; S269-C272 PolarHBondContact O-N 3.32Å; S269-C272 VanDerWaalsContact O-N 3.11Å; S269-C272 PolarHBondContact OG-N 3.15Å; C272-F276 WeakPolarHBondContact O-CB 3.08Å |
| 273 | L | 97 | Very high | 95.8 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -38 | 173.8 | 178 | 70.8 | 0 | 0 | 0 | 112 | R260 F267 S269 T270 T271 | R260-L273 HydrophobicContact CG-CD1 3.41Å; R260-L273 VanDerWaalsContact CG-CD1 3.41Å; R260-L273 VanDerWaalsContact CZ-O 3.27Å; R260-L273 PolarHBondContact NE-O 3Å; R260-L273 PolarHBondContact NH2-O 3.08Å; F267-L273 HydrophobicContact CB-CB 4.15Å; F267-L273 HydrophobicContact CD2-CB 4.18Å; F267-L273 HydrophobicContact CD2-CD1 3.34Å; F267-L273 HydrophobicContact CD2-CG 4.38Å; F267-L273 HydrophobicContact CE2-CD1 3.55Å; F267-L273 HydrophobicContact CG-CB 4.1Å; F267-L273 HydrophobicContact CG-CD1 4.11Å; F267-L273 HydrophobicContact CZ-CD1 4.46Å; S269-L273 PolarHBondContact O-N 3.07Å; T270-L273 WeakPolarHBondContact O-CB 3.19Å; T270-L273 PolarHBondContact O-N 2.88Å; T271-L273 VanDerWaalsContact C-N 3.25Å; T271-L273 PolarHBondContact O-N 3.4Å |
| 274 | S | 96.3 | Very high | 96 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -84.8 | -28.8 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | T270 T271 | T270-S274 PolarHBondContact O-N 3.23Å; T270-S274 PolarHBondContact O-OG 3.36Å; T271-S274 PolarHBondContact O-N 3.43Å; T271-S274 PolarHBondContact O-OG 3.28Å |
| 275 | S | 95.5 | Very high | 96.2 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 57% | 0.573 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -84.9 | -8.7 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 115.6 | T271 | T271-S275 WeakPolarHBondContact O-CB 3.01Å; T271-S275 PolarHBondContact O-N 3.27Å; T271-S275 PolarHBondContact O-OG 3.08Å; T271-S275 VanDerWaalsContact O-OG 3.08Å |
| 276 | F | 90.5 | Very high | 96.2 | Very high | 102 Ų | 102 | 55.5 Ų | 55.5 | 45% | 0.447 | 34% | 0.335 | S | S | . | . | | | trans | -93.1 | 0 | -177.8 | -175.7 | -97 | 0 | 0 | 0 | 112.8 | A245 N246 R260 H265 F267 C272 | A245-F276 HydrophobicContact CB-CD2 4.33Å; A245-F276 HydrophobicContact CB-CE1 4.31Å; A245-F276 HydrophobicContact CB-CE2 3.88Å; A245-F276 HydrophobicContact CB-CZ 3.86Å; A245-F276 WeakPolarHBondContact O-CE2 3.31Å; N246-F276 HydrophobicContact CB-CB 4.18Å; N246-F276 HydrophobicContact CB-CD2 4.13Å; R260-F276 PolarHBondContact NH1-OXT 2.63Å; R260-F276 PolarHBondContact NH2-OXT 2.83Å; H265-F276 HydrophobicContact CB-CE1 4.46Å; H265-F276 AromaticContact CD2-CE1 3.87Å; F267-F276 HydrophobicContact CD1-CB 4.33Å; F267-F276 HydrophobicContact CE1-CB 3.41Å; F267-F276 VanDerWaalsContact CE1-CB 3.41Å; F267-F276 AromaticContact CE1-CD1 3.58Å; F267-F276 HydrophobicContact CE1-CD1 3.58Å; F267-F276 HydrophobicContact CE1-CD2 4.07Å; F267-F276 HydrophobicContact CE1-CE1 4.31Å; F267-F276 AromaticContact CE1-CG 3.42Å; F267-F276 HydrophobicContact CE1-CG 3.42Å; F267-F276 VanDerWaalsContact CE1-CG 3.42Å; F267-F276 HydrophobicContact CZ-CB 3.98Å; F267-F276 AromaticContact CZ-CD1 3.45Å; F267-F276 HydrophobicContact CZ-CD1 3.45Å; F267-F276 VanDerWaalsContact CZ-CD1 3.45Å; F267-F276 HydrophobicContact CZ-CE1 4.06Å; F267-F276 AromaticContact CZ-CG 3.83Å; F267-F276 HydrophobicContact CZ-CG 3.83Å; C272-F276 WeakPolarHBondContact O-CB 3.08Å |