| 1 | M | 54.7 | Low | 63.5 | Low | 227 Ų | 227 | 168.4 Ų | 168.4 | 100% | 1.118 | 84% | 0.841 | S | S | * | * | | | | 0 | 94.3 | 0 | -76.8 | 164.1 | 31.3 | 0 | 0 | 109 | | |
| 2 | F | 57 | Low | 63.3 | Low | 206 Ų | 206 | 165.8 Ų | 165.8 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | | | trans | -98.7 | 113.7 | -179.9 | -65 | -78.2 | 0 | 0 | 0 | 109.6 | K4 | F2-K4 PolarHBondContact O-N 3.32Š|
| 3 | K | 71.7 | Confident | 62 | Low | 201 Ų | 201 | 168.7 Ų | 168.7 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -75.6 | 112.6 | 173.6 | -70 | -179.6 | 171.3 | 179.2 | 0 | 108.1 | T5 | K3-T5 PolarHBondContact O-N 3.36Š|
| 4 | K | 68.9 | Low | 61.2 | Low | 200 Ų | 200 | 163.4 Ų | 163.4 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | | | trans | -77.1 | 105.6 | 173.1 | -60.9 | 174.4 | 79.5 | 169.2 | 0 | 108.3 | F2 K6 | F2-K4 PolarHBondContact O-N 3.32Å; K4-K6 PolarHBondContact O-N 3.37Å |
| 5 | T | 66.3 | Low | 60.9 | Low | 137 Ų | 137 | 157.3 Ų | 157.3 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | | | trans | -78.4 | 112.5 | 167.8 | 33.7 | 0 | 0 | 0 | 0 | 108.8 | K3 S7 | K3-T5 PolarHBondContact O-N 3.36Å; T5-S7 PolarHBondContact O-N 3.47Å |
| 6 | K | 61.8 | Low | 60.6 | Low | 197 Ų | 197 | 159.2 Ų | 159.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | trans | -78.5 | 104.5 | 169.6 | -74 | 178.6 | 170.7 | -178.9 | 0 | 108 | K4 | K4-K6 PolarHBondContact O-N 3.37Š|
| 7 | S | 63.5 | Low | 60.1 | Low | 106 Ų | 106 | 159.1 Ų | 159.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -73.6 | 130 | 164.6 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | T5 | T5-S7 PolarHBondContact O-N 3.47Š|
| 8 | K | 65.5 | Low | 59.7 | Low | 198 Ų | 198 | 158.9 Ų | 158.9 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | | | trans | -93.9 | 107.9 | 170.5 | -51 | -176.2 | -173 | 178.3 | 0 | 105.4 | L10 | K8-L10 PolarHBondContact O-N 3.28Š|
| 9 | V | 66.3 | Low | 59.5 | Low | 118 Ų | 118 | 159.3 Ų | 159.3 | 72% | 0.715 | 81% | 0.81 | S | S | * | * | | | trans | -77 | 108 | 168.2 | 179.2 | 0 | 0 | 0 | 0 | 105.6 | V11 | V9-V11 HydrophobicContact CG1-CG2 4.11Å; V9-V11 PolarHBondContact O-N 3.35Å |
| 10 | L | 60 | Low | 59.2 | Low | 147 Ų | 147 | 160 Ų | 160 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | | | trans | -73 | 106.7 | 164.1 | -101.2 | 160 | 0 | 0 | 0 | 106.1 | K8 D12 | K8-L10 PolarHBondContact O-N 3.28Å; L10-D12 PolarHBondContact O-N 2.99Å |
| 11 | V | 62.5 | Low | 59.2 | Low | 115 Ų | 115 | 157 Ų | 157 | 70% | 0.697 | 81% | 0.806 | S | S | * | * | | | trans | -81.7 | 97.8 | 166.3 | 175.7 | 0 | 0 | 0 | 0 | 105.3 | V9 Y13 | V9-V11 HydrophobicContact CG1-CG2 4.11Å; V9-V11 PolarHBondContact O-N 3.35Å; V11-Y13 PolarHBondContact O-N 3.08Å; V11-Y13 VanDerWaalsContact O-N 3.08Å |
| 12 | D | 61.8 | Low | 58.9 | Low | 138 Ų | 138 | 157.9 Ų | 157.9 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -72.4 | 99.4 | 169 | -69.5 | -31.3 | 0 | 0 | 0 | 107.6 | L10 A14 | L10-D12 PolarHBondContact O-N 2.99Å; D12-A14 PolarHBondContact O-N 3.37Å |
| 13 | Y | 46.3 | Very low | 58.8 | Low | 203 Ų | 203 | 157 Ų | 157 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 81.8 | 168 | -165.5 | -96.7 | 0 | 0 | 0 | 107.4 | V11 S15 | V11-Y13 PolarHBondContact O-N 3.08Å; V11-Y13 VanDerWaalsContact O-N 3.08Å; Y13-S15 PolarHBondContact O-N 2.73Å |
| 14 | A | 50.8 | Low | 57.7 | Low | 94 Ų | 94 | 157.4 Ų | 157.4 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -73.4 | 104.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | D12 E16 | D12-A14 PolarHBondContact O-N 3.37Å; A14-E16 PolarHBondContact O-N 3.38Å |
| 15 | S | 56.2 | Low | 56.8 | Low | 73 Ų | 73 | 155.4 Ų | 155.4 | 51% | 0.51 | 79% | 0.787 | S | S | . | * | | | trans | -25.5 | 124.3 | 169.2 | -100 | 0 | 0 | 0 | 0 | 114.2 | Y13 E17 | Y13-S15 PolarHBondContact O-N 2.73Å; S15-E17 PolarHBondContact O-N 3.48Å; S15-E17 PolarHBondContact OG-OE1 3.18Å |
| 16 | E | 56 | Low | 55.8 | Low | 187 Ų | 187 | 158.6 Ų | 158.6 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -70.3 | 108.2 | 148.5 | 81.5 | 173.7 | -132.2 | 0 | 0 | 106.6 | A14 | A14-E16 PolarHBondContact O-N 3.38Š|
| 17 | E | 53.2 | Low | 54.9 | Low | 157 Ų | 157 | 154 Ų | 154 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 174.7 | 62 | 163.1 | 48.9 | -155.7 | 149.8 | 0 | 0 | 108.6 | S15 | S15-E17 PolarHBondContact O-N 3.48Å; S15-E17 PolarHBondContact OG-OE1 3.18Å |
| 18 | D | 51.8 | Low | 54 | Low | 156 Ų | 156 | 158.3 Ų | 158.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -145.1 | 36.2 | 162.2 | -155.6 | 30 | 0 | 0 | 0 | 111.8 | | |
| 19 | D | 56.9 | Low | 53 | Low | 166 Ų | 166 | 158.2 Ų | 158.2 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -112.9 | 34.5 | 179.7 | -135.2 | 12.9 | 0 | 0 | 0 | 112 | | |
| 20 | M | 52.5 | Low | 51.7 | Low | 173 Ų | 173 | 159.5 Ų | 159.5 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | -145.1 | 94.4 | 179.1 | -66.8 | -172.1 | 175.2 | 0 | 0 | 111.4 | | |
| 21 | S | 59.2 | Low | 51.2 | Low | 98 Ų | 98 | 160.4 Ų | 160.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | 147.9 | 59.7 | 143.4 | 63.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 22 | W | 48.2 | Very low | 50 | Low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -117.2 | 21.6 | 163.6 | -68.6 | 98.6 | 0 | 0 | 0 | 113.8 | | |
| 23 | H | 54.7 | Low | 48.9 | Very low | 187 Ų | 187 | 163.7 Ų | 163.7 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -125.9 | 35.2 | -179.8 | -79.2 | 26.1 | 0 | 0 | 0 | 113.2 | | |
| 24 | Y | 49.2 | Very low | 48.2 | Very low | 209 Ų | 209 | 157.4 Ų | 157.4 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | | | trans | -143.2 | 69.2 | 179.7 | -145.5 | -89.2 | 0 | 0 | 0 | 112.3 | | |
| 25 | H | 50.3 | Low | 47.5 | Very low | 158 Ų | 158 | 162 Ų | 162 | 73% | 0.731 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -176.7 | 56.4 | 150.1 | -110.3 | -70 | 0 | 0 | 0 | 114 | | |
| 26 | H | 44.8 | Very low | 46.5 | Very low | 205 Ų | 205 | 167.8 Ų | 167.8 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | | | trans | -143.6 | 60.8 | 156.7 | -71 | -57.7 | 0 | 0 | 0 | 110.3 | | |
| 27 | S | 43.9 | Very low | 45.5 | Very low | 101 Ų | 101 | 167.1 Ų | 167.1 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | | | trans | -86.6 | 124.3 | 164.3 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 28 | Y | 43.8 | Very low | 44.6 | Very low | 196 Ų | 196 | 168.1 Ų | 168.1 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | | | trans | 46.8 | 92 | 142.6 | -90.4 | -98.2 | 0 | 0 | 0 | 119.2 | | |
| 29 | K | 44.8 | Very low | 43.9 | Very low | 196 Ų | 196 | 168.7 Ų | 168.7 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | | | trans | -144.6 | 126.6 | 136.2 | -76.8 | -154.2 | 175.1 | -164.8 | 0 | 105.2 | | |
| 30 | D | 39.4 | Very low | 42.9 | Very low | 144 Ų | 144 | 169.2 Ų | 169.2 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | cis | -143.4 | 136.2 | 23 | -77 | -47.7 | 0 | 0 | 0 | 109.2 | | |
| 31 | K | 49 | Very low | 41.9 | Very low | 166 Ų | 166 | 168.7 Ų | 168.7 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | | | trans | -137.2 | 111.5 | 148.3 | -77.2 | -172.6 | 178.1 | 178.8 | 0 | 105.3 | | |
| 32 | D | 37.8 | Very low | 40.7 | Very low | 148 Ų | 148 | 168.5 Ų | 168.5 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | | 168.3 | 153.9 | 125.7 | -87.8 | -16.1 | 0 | 0 | 0 | 112.4 | | |
| 33 | L | 38.2 | Very low | 39.9 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | trans | 92.6 | 103.5 | 177.2 | -58.9 | 156.4 | 0 | 0 | 0 | 112.6 | | |
| 34 | G | 32.3 | Very low | 38.7 | Very low | 72 Ų | 72 | 158.1 Ų | 158.1 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | cis | 101.7 | 115.3 | 32.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 35 | E | 36 | Very low | 38 | Very low | 191 Ų | 191 | 152.3 Ų | 152.3 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -53.7 | 142.3 | 176.4 | -67 | 165.2 | 143.8 | 0 | 0 | 112.3 | | |
| 36 | E | 35.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | | 169.3 | 166.4 | 128.5 | -89.6 | 176.3 | -164.3 | 0 | 0 | 111.3 | | |
| 37 | E | 34.1 | Very low | 37.2 | Very low | 173 Ų | 173 | 146.8 Ų | 146.8 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | | | trans | -86.1 | 168.9 | -147.2 | -62.1 | 172.1 | 143.5 | 0 | 0 | 116.7 | | |
| 38 | E | 34.5 | Very low | 37.4 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | 56.4 | 147 | 156.5 | -72.9 | -179.5 | 162.1 | 0 | 0 | 117.2 | | |
| 39 | E | 35.8 | Very low | 37.2 | Very low | 167 Ų | 167 | 149.4 Ų | 149.4 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | | | cis | -160 | 174.3 | 22.6 | -152.4 | -175.2 | 177.5 | 0 | 0 | 107 | | |
| 40 | E | 37.3 | Very low | 37.4 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -32.6 | 139.9 | 178.8 | -57.3 | -175.6 | 153.8 | 0 | 0 | 118.8 | | |
| 41 | D | 31.3 | Very low | 37.9 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | | | | -162.3 | 143.4 | 120.9 | -162.6 | 14.6 | 0 | 0 | 0 | 111.4 | | |
| 42 | A | 33.3 | Very low | 38 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -66.9 | 132.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 43 | G | 31.8 | Very low | 38.9 | Very low | 77 Ų | 77 | 145.8 Ų | 145.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | | | trans | -156.7 | 75.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | T | 30.4 | Very low | 39.7 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | | | trans | -50.2 | 134.8 | 174.3 | 35.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 45 | A | 32.6 | Very low | 40.8 | Very low | 87 Ų | 87 | 150.7 Ų | 150.7 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | 55.9 | 113 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 46 | L | 37.2 | Very low | 41.5 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | | | | -170.1 | 89.8 | 110.9 | -98.1 | 161.5 | 0 | 0 | 0 | 108.8 | K48 | L46-K48 VanDerWaalsContact C-N 3.33Å; L46-K48 PolarHBondContact O-N 3.14Å |
| 47 | A | 41.1 | Very low | 42.1 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | -61.1 | 96.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | E49 | A47-E49 PolarHBondContact O-N 2.85Š|
| 48 | K | 48.2 | Very low | 43.2 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | | | trans | -78.5 | 99.6 | 162.4 | -68.3 | -173.6 | -177.6 | 176.1 | 0 | 106.4 | L46 A50 | L46-K48 VanDerWaalsContact C-N 3.33Å; L46-K48 PolarHBondContact O-N 3.14Å; K48-A50 PolarHBondContact O-N 3.11Å |
| 49 | E | 41.4 | Very low | 44.3 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -44.9 | 97.1 | 173.6 | -66.1 | -178.3 | 150.5 | 0 | 0 | 110.8 | A47 K51 | A47-E49 PolarHBondContact O-N 2.85Å; E49-K51 PolarHBondContact O-N 3.08Å |
| 50 | A | 48.2 | Very low | 44.8 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | | | trans | -63.9 | 105.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | K48 V52 | K48-A50 PolarHBondContact O-N 3.11Å; A50-V52 HydrophobicContact CB-CG2 4.11Å; A50-V52 PolarHBondContact O-N 2.68Å |
| 51 | K | 50.6 | Low | 45.5 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 71.5 | 167.6 | -68.4 | 177.2 | -179.6 | 173.2 | 0 | 108.7 | E49 K53 | E49-K51 PolarHBondContact O-N 3.08Å; K51-K53 VanDerWaalsContact C-N 3.33Å; K51-K53 PolarHBondContact O-N 3.1Å |
| 52 | V | 51.3 | Low | 46.7 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -69.8 | 97.6 | 166.7 | 179.8 | 0 | 0 | 0 | 0 | 105.1 | A50 K54 | A50-V52 HydrophobicContact CB-CG2 4.11Å; A50-V52 PolarHBondContact O-N 2.68Å; V52-K54 VanDerWaalsContact C-N 3.26Å; V52-K54 PolarHBondContact O-N 2.7Å |
| 53 | K | 56 | Low | 47.6 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -56.3 | 101.6 | 162.4 | -73.8 | -179.2 | 177.8 | 177 | 0 | 105.7 | K51 I55 | K51-K53 VanDerWaalsContact C-N 3.33Å; K51-K53 PolarHBondContact O-N 3.1Å; K53-I55 WeakPolarHBondContact O-CG1 3.24Å; K53-I55 PolarHBondContact O-N 3.32Å |
| 54 | K | 54.5 | Low | 49 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -62.7 | 86.5 | 172.7 | -168.4 | 171 | -177 | 171.3 | 0 | 106.7 | V52 M56 | V52-K54 VanDerWaalsContact C-N 3.26Å; V52-K54 PolarHBondContact O-N 2.7Å; K54-M56 PolarHBondContact O-N 2.97Å |
| 55 | I | 56 | Low | 50.7 | Low | 158 Ų | 158 | 156.3 Ų | 156.3 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -69.7 | 89.6 | 171 | -16 | 173.2 | 0 | 0 | 0 | 104.6 | K53 S57 | K53-I55 WeakPolarHBondContact O-CG1 3.24Å; K53-I55 PolarHBondContact O-N 3.32Å; I55-S57 VanDerWaalsContact C-N 3.33Å; I55-S57 PolarHBondContact O-N 3.05Å |
| 56 | M | 49.9 | Very low | 51.9 | Low | 157 Ų | 157 | 160.4 Ų | 160.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | -58.3 | 99.5 | 169.6 | 53 | -159.1 | -70.1 | 0 | 0 | 107.6 | K54 K58 | K54-M56 PolarHBondContact O-N 2.97Å; M56-K58 PolarHBondContact O-N 3.22Å |
| 57 | S | 48.1 | Very low | 52.8 | Low | 106 Ų | 106 | 158.9 Ų | 158.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -61.7 | 106.9 | 175 | 55.6 | 0 | 0 | 0 | 0 | 108 | I55 K59 | I55-S57 VanDerWaalsContact C-N 3.33Å; I55-S57 PolarHBondContact O-N 3.05Å; S57-K59 PolarHBondContact O-N 2.96Å |
| 58 | K | 58.7 | Low | 53.6 | Low | 201 Ų | 201 | 158.1 Ų | 158.1 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -68.8 | 69.9 | 161.9 | -72.8 | -173.1 | 177.1 | -179.2 | 0 | 108.6 | M56 | M56-K58 PolarHBondContact O-N 3.22Š|
| 59 | K | 57.5 | Low | 54.2 | Low | 170 Ų | 170 | 153.7 Ų | 153.7 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | trans | -97.8 | 55.8 | 160.5 | -167.5 | -178.1 | 176.6 | 178.1 | 0 | 107.5 | S57 R61 | S57-K59 PolarHBondContact O-N 2.96Å; K59-R61 PolarHBondContact O-N 2.91Å |
| 60 | E | 46.4 | Very low | 55.1 | Low | 172 Ų | 172 | 153 Ų | 153 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -74.8 | 83.7 | 151.8 | -166.3 | 178 | -177.4 | 0 | 0 | 104.6 | K62 | E60-K62 PolarHBondContact O-N 3.01Š|
| 61 | R | 51.8 | Low | 56 | Low | 206 Ų | 206 | 153.6 Ų | 153.6 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -56 | 96.2 | 166.6 | 175.7 | -172.9 | -172 | 169.4 | 1.3 | 104.1 | K59 E63 | K59-R61 PolarHBondContact O-N 2.91Å; R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 2.99Å |
| 62 | K | 55 | Low | 57.3 | Low | 161 Ų | 161 | 148.4 Ų | 148.4 | 70% | 0.7 | 72% | 0.718 | S | S | * | * | | | trans | -21.4 | 99.6 | 162.8 | 179.4 | 177.5 | 179.3 | 166.3 | 0 | 107.2 | E60 K64 | E60-K62 PolarHBondContact O-N 3.01Å; K62-K64 HydrophobicContact CD-CG 4.13Å; K62-K64 HydrophobicContact CG-CG 3.93Å; K62-K64 PolarHBondContact O-N 3.13Å |
| 63 | E | 53.8 | Low | 58.9 | Low | 162 Ų | 162 | 148.3 Ų | 148.3 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | | | trans | -68.3 | 76.3 | 173.5 | -60.8 | -179.6 | -162.6 | 0 | 0 | 104.3 | R61 K65 | R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 2.99Å; E63-K65 PolarHBondContact O-N 3.06Å |
| 64 | K | 61.3 | Low | 60 | Low | 152 Ų | 152 | 145.3 Ų | 145.3 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | | | trans | -59 | 97.2 | 156.6 | -62.1 | -175.9 | -178.2 | -179.3 | 0 | 101.5 | K62 M66 | K62-K64 HydrophobicContact CD-CG 4.13Å; K62-K64 HydrophobicContact CG-CG 3.93Å; K62-K64 PolarHBondContact O-N 3.13Å; K64-M66 PolarHBondContact O-N 3.07Å |
| 65 | K | 64.3 | Low | 61.1 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | | | trans | -49.3 | 97.2 | 160.3 | -63.4 | -168.9 | 178.9 | -174.8 | 0 | 103.4 | E63 L67 | E63-K65 PolarHBondContact O-N 3.06Å; K65-L67 PolarHBondContact O-N 2.69Å |
| 66 | M | 59 | Low | 62.3 | Low | 172 Ų | 172 | 137.2 Ų | 137.2 | 85% | 0.847 | 66% | 0.664 | S | S | * | * | | | trans | -64.6 | 101.4 | 168.5 | -61 | -155.2 | -49.5 | 0 | 0 | 101.1 | K64 S68 | K64-M66 PolarHBondContact O-N 3.07Å; M66-S68 PolarHBondContact O-N 3.4Å |
| 67 | L | 56.4 | Low | 63.5 | Low | 121 Ų | 121 | 136.9 Ų | 136.9 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | | | trans | -49.8 | 117.5 | 167 | -62.3 | 174.4 | 0 | 0 | 0 | 103.8 | K65 S69 | K65-L67 PolarHBondContact O-N 2.69Å; L67-S69 PolarHBondContact O-N 3.31Å |
| 68 | S | 57.9 | Low | 64.6 | Low | 80 Ų | 80 | 135.8 Ų | 135.8 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | | | trans | -49 | 130.5 | 174 | 172.4 | 0 | 0 | 0 | 0 | 106.7 | M66 K70 D71 | M66-S68 PolarHBondContact O-N 3.4Å; S68-K70 PolarHBondContact O-N 3.43Å; S68-D71 PolarHBondContact O-N 2.96Å |
| 69 | S | 59.8 | Low | 64.9 | Low | 91 Ų | 91 | 128.9 Ų | 128.9 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58 | -19.7 | -173.7 | 80.5 | 0 | 0 | 0 | 0 | 112.7 | L67 D71 D72 | L67-S69 PolarHBondContact O-N 3.31Å; S69-D71 PolarHBondContact O-N 2.98Å; S69-D72 WeakPolarHBondContact O-CB 3.37Å; S69-D72 PolarHBondContact O-N 2.93Å |
| 70 | K | 61.2 | Low | 65.4 | Low | 154 Ų | 154 | 125.2 Ų | 125.2 | 67% | 0.67 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.4 | -31 | 173.2 | -155.2 | 106.8 | -176 | 169.4 | 0 | 113.6 | S68 | S68-K70 PolarHBondContact O-N 3.43Å |
| 71 | D | 66.3 | Low | 66.1 | Low | 92 Ų | 92 | 126.1 Ų | 126.1 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -84.7 | -19 | -179.1 | -145.6 | 11.1 | 0 | 0 | 0 | 111.4 | S68 S69 L75 | S68-D71 PolarHBondContact O-N 2.96Å; S69-D71 PolarHBondContact O-N 2.98Å; D71-L75 VanDerWaalsContact O-CD1 3.24Å; D71-L75 WeakPolarHBondContact O-CD1 3.3Å; D71-L75 WeakPolarHBondContact O-CG 3.15Å; D71-L75 PolarHBondContact O-N 2.79Å |
| 72 | D | 77.8 | Confident | 66.4 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 43% | 0.433 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75 | -39.6 | -179.7 | -163.8 | 35.9 | 0 | 0 | 0 | 111.8 | S69 H74 L75 L76 | S69-D72 WeakPolarHBondContact O-CB 3.37Å; S69-D72 PolarHBondContact O-N 2.93Å; D72-H74 VanDerWaalsContact C-N 3.35Å; D72-H74 PolarHBondContact O-N 3.31Å; D72-L75 PolarHBondContact O-N 2.95Å; D72-L75 VanDerWaalsContact O-N 3.14Å; D72-L76 WeakPolarHBondContact O-CB 3.17Å; D72-L76 VanDerWaalsContact O-CG 3.26Å; D72-L76 WeakPolarHBondContact O-CG 3.41Å; D72-L76 PolarHBondContact O-N 2.67Å |
| 73 | E | 84.9 | Confident | 66.1 | Low | 117 Ų | 117 | 116.3 Ų | 116.3 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.3 | -44.1 | 179.5 | -66.7 | 178 | -165.6 | 0 | 0 | 112.2 | L75 L76 L77 | E73-L75 PolarHBondContact O-N 2.98Å; E73-L76 PolarHBondContact O-N 3.1Å; E73-L77 WeakPolarHBondContact O-CB 3.31Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.45Å; E73-L77 PolarHBondContact O-N 3.25Å |
| 74 | H | 79.4 | Confident | 65.9 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.5 | -35.6 | 177.5 | -69.8 | -66 | 0 | 0 | 0 | 112.5 | D72 S78 | D72-H74 VanDerWaalsContact C-N 3.35Å; D72-H74 PolarHBondContact O-N 3.31Å; H74-S78 WeakPolarHBondContact O-CB 3.44Å; H74-S78 PolarHBondContact O-N 3.26Å |
| 75 | L | 77.3 | Confident | 65.3 | Low | 52 Ų | 52 | 121.8 Ų | 121.8 | 27% | 0.272 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -68.9 | -39.9 | 176.7 | -70.1 | 166.5 | 0 | 0 | 0 | 111.6 | D71 D72 E73 G79 V80 A82 | D71-L75 VanDerWaalsContact O-CD1 3.24Å; D71-L75 WeakPolarHBondContact O-CD1 3.3Å; D71-L75 WeakPolarHBondContact O-CG 3.15Å; D71-L75 PolarHBondContact O-N 2.79Å; D72-L75 PolarHBondContact O-N 2.95Å; D72-L75 VanDerWaalsContact O-N 3.14Å; E73-L75 PolarHBondContact O-N 2.98Å; L75-G79 PolarHBondContact O-N 3.39Å; L75-G79 VanDerWaalsContact O-N 3.17Å; L75-V80 WeakPolarHBondContact CD2-O 3.04Å; L75-A82 HydrophobicContact CD2-CB 4.05Å |
| 76 | L | 80.8 | Confident | 64.4 | Low | 127 Ų | 127 | 123.1 Ų | 123.1 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.8 | -44.5 | 176.6 | -69.2 | 173.1 | 0 | 0 | 0 | 111.7 | D72 E73 | D72-L76 WeakPolarHBondContact O-CB 3.17Å; D72-L76 VanDerWaalsContact O-CG 3.26Å; D72-L76 WeakPolarHBondContact O-CG 3.41Å; D72-L76 PolarHBondContact O-N 2.67Å; E73-L76 PolarHBondContact O-N 3.1Å |
| 77 | L | 75.8 | Confident | 63.4 | Low | 151 Ų | 151 | 123 Ų | 123 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.5 | -39.1 | 179.9 | -70 | 172.3 | 0 | 0 | 0 | 112.7 | E73 G79 | E73-L77 WeakPolarHBondContact O-CB 3.31Å; E73-L77 VanDerWaalsContact O-CG 3.23Å; E73-L77 WeakPolarHBondContact O-CG 3.45Å; E73-L77 PolarHBondContact O-N 3.25Å; L77-G79 VanDerWaalsContact C-N 3.34Å |
| 78 | S | 70.9 | Confident | 63 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 57% | 0.573 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.7 | -15.2 | -176.1 | -163 | 0 | 0 | 0 | 0 | 112.8 | H74 V80 | H74-S78 WeakPolarHBondContact O-CB 3.44Å; H74-S78 PolarHBondContact O-N 3.26Å; S78-V80 PolarHBondContact O-N 2.87Å |
| 79 | G | 65.6 | Low | 62.3 | Low | 56 Ų | 56 | 125.6 Ų | 125.6 | 58% | 0.577 | 67% | 0.668 | S | S | * | * | | | trans | 62.7 | 0.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L75 L77 K81 | L75-G79 PolarHBondContact O-N 3.39Å; L75-G79 VanDerWaalsContact O-N 3.17Å; L77-G79 VanDerWaalsContact C-N 3.34Å; G79-K81 PolarHBondContact O-N 2.98Å |
| 80 | V | 68.4 | Low | 62 | Low | 93 Ų | 93 | 130.9 Ų | 130.9 | 56% | 0.564 | 68% | 0.679 | S | S | * | * | | | trans | -80.2 | 100.3 | 179.2 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | L75 S78 A82 | L75-V80 WeakPolarHBondContact CD2-O 3.04Å; S78-V80 PolarHBondContact O-N 2.87Å; V80-A82 PolarHBondContact O-N 3.48Å; V80-A82 VanDerWaalsContact O-N 3.14Å |
| 81 | K | 61.1 | Low | 61.1 | Low | 191 Ų | 191 | 133.1 Ų | 133.1 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | | | trans | -57.1 | 120.6 | 171.9 | -49.6 | -173.7 | -176.7 | 170.6 | 0 | 106.8 | G79 A83 | G79-K81 PolarHBondContact O-N 2.98Å; K81-A83 PolarHBondContact O-N 3.23Å |
| 82 | A | 57.8 | Low | 60.1 | Low | 70 Ų | 70 | 136.6 Ų | 136.6 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | | | trans | -48 | 109 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L75 V80 E84 | L75-A82 HydrophobicContact CD2-CB 4.05Å; V80-A82 PolarHBondContact O-N 3.48Å; V80-A82 VanDerWaalsContact O-N 3.14Å; A82-E84 PolarHBondContact O-N 3.19Å |
| 83 | A | 49.1 | Very low | 58 | Low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | | | trans | -55.8 | 117.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | K81 R85 | K81-A83 PolarHBondContact O-N 3.23Å; A83-R85 PolarHBondContact O-N 2.77Å |
| 84 | E | 49.4 | Very low | 55.9 | Low | 188 Ų | 188 | 145.5 Ų | 145.5 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | | | trans | -45 | 105.3 | 175.6 | -73.5 | -178.3 | 150 | 0 | 0 | 107.6 | A82 K86 | A82-E84 PolarHBondContact O-N 3.19Å; E84-K86 VanDerWaalsContact C-N 3.26Å; E84-K86 PolarHBondContact O-N 2.88Å |
| 85 | R | 47.8 | Very low | 53.7 | Low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | | | trans | -64.3 | 98.8 | 178.3 | -138 | -174.4 | -99 | 105.8 | -6.9 | 104.8 | A83 M87 | A83-R85 PolarHBondContact O-N 2.77Å; R85-M87 PolarHBondContact O-N 2.85Å |
| 86 | K | 45.4 | Very low | 52.1 | Low | 211 Ų | 211 | 149.2 Ų | 149.2 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -40.9 | 106.8 | 178.7 | -67.6 | 175.7 | 176.4 | -176.2 | 0 | 109.7 | E84 | E84-K86 VanDerWaalsContact C-N 3.26Å; E84-K86 PolarHBondContact O-N 2.88Å |
| 87 | M | 39.3 | Very low | 50.2 | Low | 168 Ų | 168 | 152.9 Ų | 152.9 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -102.4 | 102.6 | 154.6 | -171.4 | 171.9 | -90.5 | 0 | 0 | 106.9 | R85 | R85-M87 PolarHBondContact O-N 2.85Š|
| 88 | S | 47.9 | Very low | 49 | Very low | 96 Ų | 96 | 153.8 Ų | 153.8 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -16.6 | 128 | 158.5 | 54.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 89 | N | 43 | Very low | 48.1 | Very low | 161 Ų | 161 | 158.7 Ų | 158.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -152.4 | 107.7 | 142.7 | -69.6 | -49.6 | 0 | 0 | 0 | 108.3 | | |
| 90 | K | 52.9 | Low | 47.2 | Very low | 201 Ų | 201 | 165.5 Ų | 165.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | trans | -62.6 | 162 | 170.2 | -85.7 | 172.9 | 171.1 | 171.6 | 0 | 111.1 | | |
| 91 | K | 41.3 | Very low | 46.1 | Very low | 201 Ų | 201 | 168.5 Ų | 168.5 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | 114.7 | 88.3 | 161.4 | -54.1 | -130.6 | -174.1 | -177.4 | 0 | 111.2 | | |
| 92 | L | 46.7 | Very low | 45.5 | Very low | 166 Ų | 166 | 168.4 Ų | 168.4 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | | | | 58.3 | 95.3 | 78 | -149.8 | 174.3 | 0 | 0 | 0 | 111.3 | | |
| 93 | K | 33.6 | Very low | 45.3 | Very low | 200 Ų | 200 | 171.1 Ų | 171.1 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | trans | -162.6 | 101.4 | 137.4 | -154.7 | 160.8 | -179.3 | 178.8 | 0 | 110.9 | | |
| 94 | E | 41.1 | Very low | 45.6 | Very low | 184 Ų | 184 | 174.1 Ų | 174.1 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | | | trans | -51.1 | 139 | 152.3 | 177 | -173.3 | -173.6 | 0 | 0 | 110.2 | | |
| 95 | G | 31.7 | Very low | 46.2 | Very low | 70 Ų | 70 | 174.3 Ų | 174.3 | 72% | 0.722 | 83% | 0.834 | S | S | * | * | | | trans | -179.3 | 70.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | K97 | G95-K97 PolarHBondContact O-N 2.83Å; G95-K97 VanDerWaalsContact O-N 3.13Å |
| 96 | E | 44.3 | Very low | 47 | Very low | 185 Ų | 185 | 165.9 Ų | 165.9 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | trans | -50.7 | 106.7 | 162.5 | 179.8 | -172.2 | 158.8 | 0 | 0 | 110.2 | | |
| 97 | K | 40.6 | Very low | 48.3 | Very low | 205 Ų | 205 | 161.9 Ų | 161.9 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -147.2 | 111.8 | 148.7 | -67.9 | -159.5 | 179.9 | -178.9 | 0 | 109.7 | G95 | G95-K97 PolarHBondContact O-N 2.83Å; G95-K97 VanDerWaalsContact O-N 3.13Å |
| 98 | E | 51.4 | Low | 50.3 | Low | 170 Ų | 170 | 156.5 Ų | 156.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -57.1 | 150 | 167.6 | -150.3 | -176.2 | 161.2 | 0 | 0 | 111.6 | | |
| 99 | K | 52.1 | Low | 51.9 | Low | 185 Ų | 185 | 158.7 Ų | 158.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 74.7 | 82.7 | 169.6 | -51.3 | -161 | -179.7 | -177.6 | 0 | 118 | | |
| 100 | K | 45.2 | Very low | 54 | Low | 198 Ų | 198 | 159.6 Ų | 159.6 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | S | Bend | | -160.6 | 139.3 | 123.6 | -118.5 | -173.3 | 177.9 | -173.4 | 0 | 108.4 | K102 | K100-K102 PolarHBondContact O-N 3Š|
| 101 | D | 45.5 | Very low | 55.3 | Low | 157 Ų | 157 | 154.3 Ų | 154.3 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | | | trans | -35.7 | 124.7 | -180 | -62.1 | -67.1 | 0 | 0 | 0 | 112 | | |
| 102 | K | 48.4 | Very low | 57.2 | Low | 189 Ų | 189 | 146 Ų | 146 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | | | trans | -46.8 | 140.4 | 170.4 | -63.3 | -177.1 | 179.1 | 177.8 | 0 | 107.5 | K100 E104 | K100-K102 PolarHBondContact O-N 3Å; K102-E104 VanDerWaalsContact C-N 3.27Å; K102-E104 PolarHBondContact O-N 2.85Å |
| 103 | P | 54.7 | Low | 58.9 | Low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | | | trans | -57.4 | 107.4 | 163.1 | 25.8 | -31 | 0 | 0 | 0 | 105.6 | K105 | P103-K105 PolarHBondContact O-N 3Å; P103-K105 VanDerWaalsContact O-N 3.1Å |
| 104 | E | 56 | Low | 60.9 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | | | trans | -34.3 | 118.1 | 172.2 | -166.8 | 177.2 | -169.9 | 0 | 0 | 107.2 | K102 G106 | K102-E104 VanDerWaalsContact C-N 3.27Å; K102-E104 PolarHBondContact O-N 2.85Å; E104-G106 VanDerWaalsContact O-CA 3.25Å; E104-G106 WeakPolarHBondContact O-CA 3.19Å; E104-G106 PolarHBondContact O-N 3.01Å |
| 105 | K | 61.7 | Low | 62.4 | Low | 192 Ų | 192 | 129.9 Ų | 129.9 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -36.4 | 111.1 | 175 | -176.9 | 94 | 170.3 | -169.5 | 0 | 106.6 | P103 H107 | P103-K105 PolarHBondContact O-N 3Å; P103-K105 VanDerWaalsContact O-N 3.1Å; K105-H107 PolarHBondContact O-N 3.15Å; K105-H107 VanDerWaalsContact O-N 3.15Å |
| 106 | G | 64.9 | Low | 64 | Low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | | | trans | -34 | 115.3 | -152.8 | 0 | 0 | 0 | 0 | 0 | 113 | E104 C108 | E104-G106 VanDerWaalsContact O-CA 3.25Å; E104-G106 WeakPolarHBondContact O-CA 3.19Å; E104-G106 PolarHBondContact O-N 3.01Å; G106-C108 PolarHBondContact O-N 2.92Å |
| 107 | H | 71.4 | Confident | 65.3 | Low | 127 Ų | 127 | 128.9 Ų | 128.9 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | | | trans | -20.3 | 96.4 | 176.8 | -176.3 | 59.3 | 0 | 0 | 0 | 111.3 | K105 F109 S112 | K105-H107 PolarHBondContact O-N 3.15Å; K105-H107 VanDerWaalsContact O-N 3.15Å; H107-F109 PolarHBondContact O-N 3.15Å; H107-F109 VanDerWaalsContact O-N 3.1Å; H107-S112 PolarHBondContact CD2-OG 2.94Å; H107-S112 VanDerWaalsContact CD2-OG 3.25Å; H107-S112 PolarHBondContact CE1-OG 3.19Å; H107-S112 WeakPolarHBondContact NE2-CB 3.27Å; H107-S112 PolarHBondContact NE2-OG 2.85Å |
| 108 | C | 81.6 | Confident | 66.5 | Low | 56 Ų | 56 | 128.4 Ų | 128.4 | 38% | 0.378 | 63% | 0.632 | S | S | . | * | | | trans | -64 | 122.2 | -175.4 | -63 | 0 | 0 | 0 | 0 | 106 | G106 W110 D111 S112 | G106-C108 PolarHBondContact O-N 2.92Å; C108-W110 PolarHBondContact O-N 2.94Å; C108-D111 HydrophobicContact CB-CB 4.12Å; C108-D111 VanDerWaalsContact CB-OD2 3.3Å; C108-D111 WeakPolarHBondContact CB-OD2 3.32Å; C108-D111 WeakPolarHBondContact O-CA 3.44Å; C108-D111 WeakPolarHBondContact O-CB 3.08Å; C108-D111 PolarHBondContact O-N 3.11Å; C108-S112 PolarHBondContact O-N 2.76Å; C108-S112 PolarHBondContact O-OG 3.06Å |
| 109 | F | 80.9 | Confident | 67.2 | Low | 142 Ų | 142 | 128.8 Ų | 128.8 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -48.7 | -36 | 177.3 | 169.2 | -101.1 | 0 | 0 | 0 | 111.8 | H107 S112 V113 | H107-F109 PolarHBondContact O-N 3.15Å; H107-F109 VanDerWaalsContact O-N 3.1Å; F109-S112 WeakPolarHBondContact O-CB 3.35Å; F109-S112 PolarHBondContact O-N 3.1Å; F109-S112 PolarHBondContact O-OG 2.76Å; F109-V113 HydrophobicContact CD1-CG2 4.27Å; F109-V113 HydrophobicContact CD2-CG2 4.38Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.92Å; F109-V113 HydrophobicContact CZ-CG2 3.62Å; F109-V113 VanDerWaalsContact O-CG2 3.31Å; F109-V113 WeakPolarHBondContact O-CG2 3.25Å; F109-V113 PolarHBondContact O-N 2.84Å |
| 110 | W | 87.7 | Confident | 67.9 | Low | 179 Ų | 179 | 127.2 Ų | 127.2 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.8 | -31.8 | 175.2 | -68.7 | 110.5 | 0 | 0 | 0 | 114.2 | C108 S112 V113 T114 | C108-W110 PolarHBondContact O-N 2.94Å; W110-S112 VanDerWaalsContact C-N 3.35Å; W110-V113 PolarHBondContact O-N 3.27Å; W110-T114 WeakPolarHBondContact O-CB 3.3Å; W110-T114 WeakPolarHBondContact O-CG2 3.45Å; W110-T114 PolarHBondContact O-N 2.8Å; W110-T114 PolarHBondContact O-OG1 2.7Å |
| 111 | D | 80.6 | Confident | 68.7 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 48% | 0.481 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.4 | -39 | 173.3 | -64 | -16.4 | 0 | 0 | 0 | 109.9 | C108 T114 M115 | C108-D111 HydrophobicContact CB-CB 4.12Å; C108-D111 VanDerWaalsContact CB-OD2 3.3Å; C108-D111 WeakPolarHBondContact CB-OD2 3.32Å; C108-D111 WeakPolarHBondContact O-CA 3.44Å; C108-D111 WeakPolarHBondContact O-CB 3.08Å; C108-D111 PolarHBondContact O-N 3.11Å; D111-T114 PolarHBondContact O-OG1 2.87Å; D111-M115 WeakPolarHBondContact O-CB 3.19Å; D111-M115 WeakPolarHBondContact O-CG 2.87Å; D111-M115 PolarHBondContact O-N 2.77Å |
| 112 | S | 80.6 | Confident | 69.2 | Low | 28 Ų | 28 | 120.2 Ų | 120.2 | 20% | 0.196 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -63.9 | -45.7 | 174.4 | -23.7 | 0 | 0 | 0 | 0 | 111.8 | H107 C108 F109 W110 T116 | H107-S112 PolarHBondContact CD2-OG 2.94Å; H107-S112 VanDerWaalsContact CD2-OG 3.25Å; H107-S112 PolarHBondContact CE1-OG 3.19Å; H107-S112 WeakPolarHBondContact NE2-CB 3.27Å; H107-S112 PolarHBondContact NE2-OG 2.85Å; C108-S112 PolarHBondContact O-N 2.76Å; C108-S112 PolarHBondContact O-OG 3.06Å; F109-S112 WeakPolarHBondContact O-CB 3.35Å; F109-S112 PolarHBondContact O-N 3.1Å; F109-S112 PolarHBondContact O-OG 2.76Å; W110-S112 VanDerWaalsContact C-N 3.35Å; S112-T116 WeakPolarHBondContact O-CB 3.26Å; S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.36Å; S112-T116 PolarHBondContact O-N 3.23Å; S112-T116 PolarHBondContact O-OG1 3.49Å |
| 113 | V | 82.6 | Confident | 69.7 | Low | 33 Ų | 33 | 116.4 Ų | 116.4 | 20% | 0.2 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -67.8 | -47.2 | -178.9 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | F109 W110 M115 T116 M117 | F109-V113 HydrophobicContact CD1-CG2 4.27Å; F109-V113 HydrophobicContact CD2-CG2 4.38Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.92Å; F109-V113 HydrophobicContact CZ-CG2 3.62Å; F109-V113 VanDerWaalsContact O-CG2 3.31Å; F109-V113 WeakPolarHBondContact O-CG2 3.25Å; F109-V113 PolarHBondContact O-N 2.84Å; W110-V113 PolarHBondContact O-N 3.27Å; V113-M115 VanDerWaalsContact C-N 3.33Å; V113-M115 PolarHBondContact O-N 2.72Å; V113-T116 PolarHBondContact O-N 3.21Å; V113-T116 PolarHBondContact O-OG1 3.17Å; V113-M117 HydrophobicContact CG1-CG 3.96Å; V113-M117 HydrophobicContact CG1-SD 3.57Å; V113-M117 VanDerWaalsContact CG1-SD 3.57Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 VanDerWaalsContact O-CG 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.34Å; V113-M117 PolarHBondContact O-N 3Å |
| 114 | T | 76.8 | Confident | 70.1 | Confident | 69 Ų | 69 | 119.1 Ų | 119.1 | 42% | 0.423 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.6 | -34 | 178.9 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | W110 D111 | W110-T114 WeakPolarHBondContact O-CB 3.3Å; W110-T114 WeakPolarHBondContact O-CG2 3.45Å; W110-T114 PolarHBondContact O-N 2.8Å; W110-T114 PolarHBondContact O-OG1 2.7Å; D111-T114 PolarHBondContact O-OG1 2.87Å |
| 115 | M | 71.3 | Confident | 70.6 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.3 | -42.4 | 173.5 | -74.2 | -78.2 | 93.2 | 0 | 0 | 112.4 | D111 V113 R118 | D111-M115 WeakPolarHBondContact O-CB 3.19Å; D111-M115 WeakPolarHBondContact O-CG 2.87Å; D111-M115 PolarHBondContact O-N 2.77Å; V113-M115 VanDerWaalsContact C-N 3.33Å; V113-M115 PolarHBondContact O-N 2.72Å; M115-R118 VanDerWaalsContact CE-NH1 3.26Å |
| 116 | T | 65.9 | Low | 70.5 | Confident | 107 Ų | 107 | 121.1 Ų | 121.1 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -85.1 | -20.3 | -176.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | S112 V113 R118 | S112-T116 WeakPolarHBondContact O-CB 3.26Å; S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.36Å; S112-T116 PolarHBondContact O-N 3.23Å; S112-T116 PolarHBondContact O-OG1 3.49Å; V113-T116 PolarHBondContact O-N 3.21Å; V113-T116 PolarHBondContact O-OG1 3.17Å; T116-R118 VanDerWaalsContact C-N 3.35Å |
| 117 | M | 70.4 | Confident | 70.2 | Confident | 127 Ų | 127 | 125.9 Ų | 125.9 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -76.9 | -14.3 | 175.6 | -83.3 | -170.5 | 62.4 | 0 | 0 | 114.2 | V113 Q119 | V113-M117 HydrophobicContact CG1-CG 3.96Å; V113-M117 HydrophobicContact CG1-SD 3.57Å; V113-M117 VanDerWaalsContact CG1-SD 3.57Å; V113-M117 WeakPolarHBondContact O-CB 3.47Å; V113-M117 VanDerWaalsContact O-CG 3.24Å; V113-M117 WeakPolarHBondContact O-CG 3.34Å; V113-M117 PolarHBondContact O-N 3Å; M117-Q119 PolarHBondContact O-N 2.82Å |
| 118 | R | 65.8 | Low | 69.7 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -65.4 | -3.7 | -179 | -81.6 | -177.7 | -166.8 | 171.2 | 4.7 | 114.8 | M115 T116 | M115-R118 VanDerWaalsContact CE-NH1 3.26Å; T116-R118 VanDerWaalsContact C-N 3.35Å |
| 119 | Q | 66.9 | Low | 68.7 | Low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -116.6 | 42 | -168.2 | -151 | -179.2 | -51.6 | 0 | 0 | 114.8 | M117 | M117-Q119 PolarHBondContact O-N 2.82Š|
| 120 | I | 66.3 | Low | 68.1 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | | | trans | -142.9 | 55.9 | 168.1 | 17.2 | 170.2 | 0 | 0 | 0 | 110.8 | | |
| 121 | S | 62.5 | Low | 67.3 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | | | trans | -97.2 | 109.1 | 157.1 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | A123 | S121-A123 PolarHBondContact O-N 2.77Š|
| 122 | P | 55.4 | Low | 66.9 | Low | 101 Ų | 101 | 137.2 Ų | 137.2 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | | | trans | -65.4 | 123.5 | 160.7 | 26.6 | -28 | 0 | 0 | 0 | 106.8 | K124 | P122-K124 PolarHBondContact O-N 2.88Š|
| 123 | A | 59.7 | Low | 66.6 | Low | 109 Ų | 109 | 139.8 Ų | 139.8 | 90% | 0.901 | 71% | 0.708 | S | S | * | * | | | trans | -65.9 | 72.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S121 | S121-A123 PolarHBondContact O-N 2.77Š|
| 124 | K | 63.6 | Low | 66 | Low | 185 Ų | 185 | 142.9 Ų | 142.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | -99 | 142.9 | 161.3 | -80.7 | 177.3 | 172 | 176.4 | 0 | 107 | P122 | P122-K124 PolarHBondContact O-N 2.88Š|
| 125 | K | 65.3 | Low | 65.7 | Low | 200 Ų | 200 | 145.3 Ų | 145.3 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | | | trans | -49.9 | 143.5 | -162.4 | -56 | -148.1 | 175.2 | -171.4 | 0 | 111.4 | E127 | K125-E127 PolarHBondContact O-N 3.4Š|
| 126 | L | 60 | Low | 65.6 | Low | 186 Ų | 186 | 149.4 Ų | 149.4 | 97% | 0.974 | 75% | 0.754 | S | S | * | * | | | trans | -60.4 | 75.9 | 171.4 | -81.9 | 157.7 | 0 | 0 | 0 | 109.7 | | |
| 127 | E | 58.2 | Low | 65.5 | Low | 165 Ų | 165 | 151.9 Ų | 151.9 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | -89.9 | 101.8 | 166.6 | -172.1 | 167.4 | -164.8 | 0 | 0 | 105.9 | K125 M129 | K125-E127 PolarHBondContact O-N 3.4Å; E127-M129 PolarHBondContact O-N 2.87Å |
| 128 | K | 61.4 | Low | 64.5 | Low | 188 Ų | 188 | 149.9 Ų | 149.9 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | 7.9 | 84.7 | 166 | -55.8 | 177.5 | -178.6 | -178.8 | 0 | 114.3 | E130 | K128-E130 PolarHBondContact O-N 2.91Š|
| 129 | M | 60.7 | Low | 63.7 | Low | 182 Ų | 182 | 147.8 Ų | 147.8 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | | | trans | -79.9 | 65.3 | 167.6 | -65.6 | -65.6 | -75.9 | 0 | 0 | 109 | E127 G131 | E127-M129 PolarHBondContact O-N 2.87Å; M129-G131 PolarHBondContact O-N 2.82Å |
| 130 | E | 68.4 | Low | 62.9 | Low | 155 Ų | 155 | 145.4 Ų | 145.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | | | trans | -75.2 | 62.2 | 165.3 | -170.5 | 177.2 | 175.9 | 0 | 0 | 108.1 | K128 | K128-E130 PolarHBondContact O-N 2.91Š|
| 131 | G | 71 | Confident | 61.8 | Low | 56 Ų | 56 | 142.8 Ų | 142.8 | 58% | 0.577 | 76% | 0.761 | S | S | * | * | | | trans | -120.4 | 4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M129 | M129-G131 PolarHBondContact O-N 2.82Š|
| 132 | W | 71.4 | Confident | 61.1 | Low | 250 Ų | 250 | 145.7 Ų | 145.7 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -132.1 | 17.7 | 179.6 | -78.7 | 97.6 | 0 | 0 | 0 | 112.9 | | |
| 133 | E | 74.4 | Confident | 60.5 | Low | 83 Ų | 83 | 148.6 Ų | 148.6 | 39% | 0.388 | 77% | 0.771 | S | S | . | * | | | trans | -85 | 127.7 | 170.3 | -134.2 | -142.8 | 114.4 | 0 | 0 | 110.1 | R136 | E133-R136 VanDerWaalsContact CD-CZ 3.46Å; E133-R136 WeakPolarHBondContact OE1-CD 3.44Å; E133-R136 WeakPolarHBondContact OE1-CG 3.26Å; E133-R136 IonicContact OE1-CZ 2.83Å; E133-R136 IonicContact OE1-NE 2.94Å; E133-R136 PolarHBondContact OE1-NE 2.95Å; E133-R136 IonicContact OE1-NH1 3.96Å; E133-R136 IonicContact OE1-NH2 3.97Å; E133-R136 PolarHBondContact OE1-NH2 2.92Å; E133-R136 IonicContact OE2-CZ 2.94Å; E133-R136 VanDerWaalsContact OE2-CZ 3.28Å; E133-R136 IonicContact OE2-NE 2.7Å; E133-R136 PolarHBondContact OE2-NE 2.97Å; E133-R136 IonicContact OE2-NH2 3.87Å; E133-R136 PolarHBondContact OE2-NH2 3.1Å |
| 134 | P | 71.4 | Confident | 59.3 | Low | 98 Ų | 98 | 149.5 Ų | 149.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | -54.4 | 139.7 | 166.3 | -21.2 | 32.7 | 0 | 0 | 0 | 109.5 | R136 | P134-R136 PolarHBondContact O-N 2.95Š|
| 135 | P | 70.3 | Confident | 58.7 | Low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -54.3 | 114.9 | 178.9 | -23.9 | 32.5 | 0 | 0 | 0 | 110.6 | L137 | P135-L137 PolarHBondContact O-N 3.28Å; P135-L137 VanDerWaalsContact O-N 3.15Å |
| 136 | R | 69.3 | Low | 57.1 | Low | 195 Ų | 195 | 143.9 Ų | 143.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -68.9 | 112.2 | 171 | -59 | -174 | -171.1 | -96.3 | -10.1 | 107 | E133 P134 A138 | E133-R136 VanDerWaalsContact CD-CZ 3.46Å; E133-R136 WeakPolarHBondContact OE1-CD 3.44Å; E133-R136 WeakPolarHBondContact OE1-CG 3.26Å; E133-R136 IonicContact OE1-CZ 2.83Å; E133-R136 IonicContact OE1-NE 2.94Å; E133-R136 PolarHBondContact OE1-NE 2.95Å; E133-R136 IonicContact OE1-NH1 3.96Å; E133-R136 IonicContact OE1-NH2 3.97Å; E133-R136 PolarHBondContact OE1-NH2 2.92Å; E133-R136 IonicContact OE2-CZ 2.94Å; E133-R136 VanDerWaalsContact OE2-CZ 3.28Å; E133-R136 IonicContact OE2-NE 2.7Å; E133-R136 PolarHBondContact OE2-NE 2.97Å; E133-R136 IonicContact OE2-NH2 3.87Å; E133-R136 PolarHBondContact OE2-NH2 3.1Å; P134-R136 PolarHBondContact O-N 2.95Å; R136-A138 PolarHBondContact O-N 3.14Å |
| 137 | L | 62.8 | Low | 56.1 | Low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | | | trans | -65 | 98.2 | 172.3 | -63.1 | 173.4 | 0 | 0 | 0 | 107.9 | P135 I139 | P135-L137 PolarHBondContact O-N 3.28Å; P135-L137 VanDerWaalsContact O-N 3.15Å; L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 2.84Å |
| 138 | A | 50.8 | Low | 55.3 | Low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 101.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | R136 V140 | R136-A138 PolarHBondContact O-N 3.14Å; A138-V140 VanDerWaalsContact C-N 3.3Å; A138-V140 PolarHBondContact O-N 3.36Å |
| 139 | I | 49 | Very low | 54.4 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | | | trans | -56.2 | 104.3 | 162.2 | -64.4 | 164.9 | 0 | 0 | 0 | 104.8 | L137 S141 | L137-I139 VanDerWaalsContact C-N 3.32Å; L137-I139 PolarHBondContact O-N 2.84Å; I139-S141 PolarHBondContact O-N 3.06Å |
| 140 | V | 48.9 | Very low | 53.5 | Low | 128 Ų | 128 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -66.4 | 80.7 | 170 | 177.5 | 0 | 0 | 0 | 0 | 106.7 | A138 E142 | A138-V140 VanDerWaalsContact C-N 3.3Å; A138-V140 PolarHBondContact O-N 3.36Å; V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 HydrophobicContact CG1-CB 4.48Å |
| 141 | S | 44.3 | Very low | 51.9 | Low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | | | trans | -94.1 | 81.4 | 151 | 53.4 | 0 | 0 | 0 | 0 | 106.4 | I139 I143 | I139-S141 PolarHBondContact O-N 3.06Å; S141-I143 PolarHBondContact O-N 3.44Å; S141-I143 VanDerWaalsContact O-N 3.11Å |
| 142 | E | 47.5 | Very low | 50.1 | Low | 169 Ų | 169 | 141.5 Ų | 141.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -38.3 | 104.8 | 152.1 | 176.6 | -176.6 | 179 | 0 | 0 | 110.5 | V140 | V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 HydrophobicContact CG1-CB 4.48Å |
| 143 | I | 41.3 | Very low | 48.2 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | | | trans | -147.6 | 120.5 | 140.5 | -75.1 | 112.5 | 0 | 0 | 0 | 107 | S141 | S141-I143 PolarHBondContact O-N 3.44Å; S141-I143 VanDerWaalsContact O-N 3.11Å |
| 144 | V | 35.3 | Very low | 46.5 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | | | trans | -60.6 | 157.5 | 175.1 | 157.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 145 | P | 50.4 | Low | 44.5 | Very low | 116 Ų | 116 | 140 Ų | 140 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -91.5 | 155 | -150.9 | 37.1 | -30.5 | 0 | 0 | 0 | 113.3 | | |
| 146 | D | 32.7 | Very low | 42.7 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -159.3 | 121.3 | 157.2 | -151.2 | 16 | 0 | 0 | 0 | 111.8 | | |
| 147 | E | 39.5 | Very low | 41.3 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 35.4 | 119.5 | 143.6 | -60.7 | -73.4 | 154.7 | 0 | 0 | 121.1 | | |
| 148 | A | 41.4 | Very low | 40.3 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | | | trans | 42.2 | 111.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 149 | L | 42 | Very low | 39.7 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | | -161.4 | 133.8 | 127.6 | -153.5 | 62.8 | 0 | 0 | 0 | 112.8 | | |
| 150 | I | 40.4 | Very low | 39.7 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -63.6 | 162.5 | 167.2 | -63.8 | 174.6 | 0 | 0 | 0 | 109.8 | | |
| 151 | E | 36.6 | Very low | 39.3 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | 127.8 | 111.3 | 137.9 | -168.7 | 166.9 | 178.9 | 0 | 0 | 118 | | |
| 152 | N | 32.7 | Very low | 39.1 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | 36.8 | 146 | 133.6 | -56.3 | -32.2 | 0 | 0 | 0 | 123.8 | | |
| 153 | G | 30.7 | Very low | 39.1 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | 135.3 | 91.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 154 | Q | 39.1 | Very low | 39.7 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | | 67.9 | 117.9 | 94.5 | -77.6 | -171.4 | -25.9 | 0 | 0 | 116.9 | | |
| 155 | N | 30.1 | Very low | 39.7 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | 72.4 | 143 | 139.4 | -60.1 | -17.9 | 0 | 0 | 0 | 121 | | |
| 156 | G | 31.6 | Very low | 39.6 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 129 | 82.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 157 | E | 39.6 | Very low | 40 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -29.9 | 133.7 | 149 | 62 | -153.5 | 144.7 | 0 | 0 | 115.9 | | |
| 158 | S | 41.9 | Very low | 40.5 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -158 | 126.4 | 142.8 | -91.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 159 | A | 39.5 | Very low | 40.7 | Very low | 86 Ų | 86 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -84.7 | 147.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 160 | L | 48.7 | Very low | 41 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | | | trans | 53.6 | 104.2 | 139.6 | -60.7 | 169 | 0 | 0 | 0 | 119.3 | | |
| 161 | S | 40.8 | Very low | 41.5 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -144.3 | 99.5 | 142.1 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 162 | L | 40 | Very low | 42.4 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | 19.9 | 157.1 | 150.6 | -70.3 | 157.6 | 0 | 0 | 0 | 124 | | |
| 163 | P | 47.6 | Very low | 43.5 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -106.3 | -152.9 | -159.7 | 45.8 | -34.6 | 0 | 0 | 0 | 112 | | |
| 164 | P | 52.7 | Low | 44.4 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -119.8 | 121.4 | -39.9 | 29.1 | -10.5 | 0 | 0 | 0 | 110 | | |
| 165 | D | 36.2 | Very low | 45 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | -143.8 | 113.8 | 170.3 | -110.3 | -36.8 | 0 | 0 | 0 | 112.9 | L167 | D165-L167 PolarHBondContact O-N 3.13Š|
| 166 | S | 47 | Very low | 46.1 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | trans | 57 | 36.4 | 137.4 | -55.4 | 0 | 0 | 0 | 0 | 117.6 | S168 | S166-S168 PolarHBondContact O-N 2.87Š|
| 167 | L | 41.6 | Very low | 47.2 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | -73.1 | 78.3 | 150.7 | -65.1 | -177.5 | 0 | 0 | 0 | 107.5 | D165 V169 | D165-L167 PolarHBondContact O-N 3.13Å; L167-V169 PolarHBondContact O-N 2.99Å |
| 168 | S | 49.3 | Very low | 47.9 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -47.3 | 86.4 | 143.3 | 50.5 | 0 | 0 | 0 | 0 | 106.9 | S166 P170 | S166-S168 PolarHBondContact O-N 2.87Å; S168-P170 WeakPolarHBondContact O-CD 3.45Å; S168-P170 VanDerWaalsContact O-N 3.13Å |
| 169 | V | 45.8 | Very low | 48.3 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.655 | 76% | 0.756 | S | S | * | * | | | trans | -59.6 | 114.3 | 157.7 | -173.7 | 0 | 0 | 0 | 0 | 102.3 | L167 L171 | L167-V169 PolarHBondContact O-N 2.99Å; V169-L171 HydrophobicContact CG1-CB 4.4Å; V169-L171 PolarHBondContact O-N 2.96Å |
| 170 | P | 49.4 | Very low | 48.9 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | | | trans | -66.3 | 91.4 | 154.6 | 3.8 | 16 | 0 | 0 | 0 | 102 | S168 E172 | S168-P170 WeakPolarHBondContact O-CD 3.45Å; S168-P170 VanDerWaalsContact O-N 3.13Å; P170-E172 HydrophobicContact CB-CB 4.28Å; P170-E172 PolarHBondContact O-N 2.8Å |
| 171 | L | 51.2 | Low | 48.9 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -69.5 | 65.7 | 155.3 | -172.7 | 69.2 | 0 | 0 | 0 | 104.2 | V169 I173 | V169-L171 HydrophobicContact CG1-CB 4.4Å; V169-L171 PolarHBondContact O-N 2.96Å; L171-I173 HydrophobicContact CG-CG1 4.25Å; L171-I173 PolarHBondContact O-N 3.42Å |
| 172 | E | 54.7 | Low | 49.6 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | -75.5 | 77.1 | 169.7 | -146.2 | 174.5 | -166.5 | 0 | 0 | 103.2 | P170 P174 | P170-E172 HydrophobicContact CB-CB 4.28Å; P170-E172 PolarHBondContact O-N 2.8Å; E172-P174 WeakPolarHBondContact O-CD 3.23Å; E172-P174 VanDerWaalsContact O-N 3.13Å |
| 173 | I | 56.6 | Low | 50.4 | Low | 121 Ų | 121 | 129.9 Ų | 129.9 | 62% | 0.621 | 74% | 0.736 | S | S | * | * | | | trans | -39.6 | 122.2 | 153.9 | -56.7 | 162.6 | 0 | 0 | 0 | 103.6 | L171 S175 | L171-I173 HydrophobicContact CG-CG1 4.25Å; L171-I173 PolarHBondContact O-N 3.42Å; I173-S175 PolarHBondContact O-N 2.98Å |
| 174 | P | 49.5 | Very low | 50.6 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | | | trans | -55.9 | 104.8 | 175.2 | 8.7 | -13.6 | 0 | 0 | 0 | 105.9 | E172 W176 | E172-P174 WeakPolarHBondContact O-CD 3.23Å; E172-P174 VanDerWaalsContact O-N 3.13Å; P174-W176 PolarHBondContact O-N 3.32Å; P174-W176 VanDerWaalsContact O-N 3.14Å |
| 175 | S | 50.8 | Low | 50.8 | Low | 95 Ų | 95 | 128.6 Ų | 128.6 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | | | trans | -55.9 | 124.2 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 103.4 | I173 G177 | I173-S175 PolarHBondContact O-N 2.98Å; S175-G177 PolarHBondContact O-N 2.95Å; S175-G177 PolarHBondContact OG-N 2.78Å |
| 176 | W | 54.5 | Low | 51.8 | Low | 258 Ų | 258 | 126.7 Ų | 126.7 | 98% | 0.977 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -65.5 | 17.5 | 170.4 | -75.6 | 69.2 | 0 | 0 | 0 | 111.8 | P174 G178 | P174-W176 PolarHBondContact O-N 3.32Å; P174-W176 VanDerWaalsContact O-N 3.14Å; W176-G178 PolarHBondContact O-N 2.81Å |
| 177 | G | 54.4 | Low | 52.5 | Low | 50 Ų | 50 | 130.5 Ų | 130.5 | 52% | 0.515 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -76.2 | 107.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S175 Q179 | S175-G177 PolarHBondContact O-N 2.95Å; S175-G177 PolarHBondContact OG-N 2.78Å; G177-Q179 PolarHBondContact O-N 3.13Å |
| 178 | G | 53.8 | Low | 53.2 | Low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -53.9 | 106 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W176 G180 | W176-G178 PolarHBondContact O-N 2.81Å; G178-G180 PolarHBondContact O-N 2.8Å |
| 179 | Q | 50.9 | Low | 53.6 | Low | 196 Ų | 196 | 128.9 Ų | 128.9 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | | | trans | -77.2 | 67.2 | 157 | -167.9 | 117.4 | -21.1 | 0 | 0 | 107.5 | G177 F181 | G177-Q179 PolarHBondContact O-N 3.13Å; Q179-F181 PolarHBondContact O-N 2.88Å |
| 180 | G | 52.5 | Low | 54.3 | Low | 56 Ų | 56 | 131.1 Ų | 131.1 | 58% | 0.577 | 71% | 0.711 | S | S | * | * | | | trans | -71.2 | 113 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | G178 E182 | G178-G180 PolarHBondContact O-N 2.8Å; G180-E182 PolarHBondContact O-N 2.68Å; G180-E182 VanDerWaalsContact O-N 3.13Å |
| 181 | F | 47.1 | Very low | 54.7 | Low | 169 Ų | 169 | 132.9 Ų | 132.9 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | | | trans | -44.4 | 118.8 | 164.9 | -168.4 | -109.2 | 0 | 0 | 0 | 108.4 | Q179 E183 | Q179-F181 PolarHBondContact O-N 2.88Å; F181-E183 HydrophobicContact CD1-CB 4.06Å; F181-E183 HydrophobicContact CE1-CB 4.07Å; F181-E183 HydrophobicContact CE1-CG 4.38Å; F181-E183 WeakPolarHBondContact CE1-OE2 3.34Å; F181-E183 VanDerWaalsContact CZ-OE2 3.27Å; F181-E183 WeakPolarHBondContact CZ-OE2 3.12Å; F181-E183 PolarHBondContact O-N 2.77Å |
| 182 | E | 57 | Low | 54.8 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -63.9 | -3.3 | -162.2 | -67.2 | -165.4 | 153.4 | 0 | 0 | 114.9 | G180 D184 | G180-E182 PolarHBondContact O-N 2.68Å; G180-E182 VanDerWaalsContact O-N 3.13Å; E182-D184 PolarHBondContact O-N 2.81Å |
| 183 | E | 56.6 | Low | 54.8 | Low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -84.8 | -4.7 | -169.2 | -80.3 | 171 | 160.5 | 0 | 0 | 115.7 | F181 | F181-E183 HydrophobicContact CD1-CB 4.06Å; F181-E183 HydrophobicContact CE1-CB 4.07Å; F181-E183 HydrophobicContact CE1-CG 4.38Å; F181-E183 WeakPolarHBondContact CE1-OE2 3.34Å; F181-E183 VanDerWaalsContact CZ-OE2 3.27Å; F181-E183 WeakPolarHBondContact CZ-OE2 3.12Å; F181-E183 PolarHBondContact O-N 2.77Å |
| 184 | D | 51.6 | Low | 54.6 | Low | 107 Ų | 107 | 127.8 Ų | 127.8 | 57% | 0.572 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -122.8 | 4.3 | 176.8 | -104 | -42 | 0 | 0 | 0 | 114.8 | E182 S186 R187 | E182-D184 PolarHBondContact O-N 2.81Å; D184-S186 VanDerWaalsContact C-N 3.27Å; D184-S186 PolarHBondContact O-N 2.71Å; D184-S186 VanDerWaalsContact O-N 3.17Å; D184-R187 IonicContact OD1-CZ 3.28Å; D184-R187 IonicContact OD1-NE 3.79Å; D184-R187 IonicContact OD1-NH2 2.85Å; D184-R187 PolarHBondContact OD1-NH2 2.67Å; D184-R187 IonicContact OD2-NH2 2.88Å |
| 185 | S | 56.2 | Low | 55.1 | Low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -78.3 | 1.8 | -168 | -141.6 | 0 | 0 | 0 | 0 | 115.6 | R187 | S185-R187 VanDerWaalsContact C-N 3.35Å; S185-R187 PolarHBondContact O-N 3.14Å |
| 186 | S | 57.6 | Low | 55.3 | Low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -72.5 | -26.7 | 178.7 | -179 | 0 | 0 | 0 | 0 | 113.1 | D184 Y188 | D184-S186 VanDerWaalsContact C-N 3.27Å; D184-S186 PolarHBondContact O-N 2.71Å; D184-S186 VanDerWaalsContact O-N 3.17Å; S186-Y188 VanDerWaalsContact C-N 3.28Å; S186-Y188 PolarHBondContact O-N 3.27Å |
| 187 | R | 62.1 | Low | 55.4 | Low | 179 Ų | 179 | 122.4 Ų | 122.4 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -76.2 | -9.4 | -173.5 | -70.2 | -172 | -87.2 | -167.9 | -5.9 | 114.9 | D184 S185 | D184-R187 IonicContact OD1-CZ 3.28Å; D184-R187 IonicContact OD1-NE 3.79Å; D184-R187 IonicContact OD1-NH2 2.85Å; D184-R187 PolarHBondContact OD1-NH2 2.67Å; D184-R187 IonicContact OD2-NH2 2.88Å; S185-R187 VanDerWaalsContact C-N 3.35Å; S185-R187 PolarHBondContact O-N 3.14Å |
| 188 | Y | 55.3 | Low | 55.7 | Low | 171 Ų | 171 | 124 Ų | 124 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -127.3 | 9.1 | -175.7 | -59.9 | -77.3 | 0 | 0 | 0 | 114.6 | S186 N190 L191 | S186-Y188 VanDerWaalsContact C-N 3.28Å; S186-Y188 PolarHBondContact O-N 3.27Å; Y188-N190 PolarHBondContact O-N 2.97Å; Y188-L191 PolarHBondContact O-N 2.85Å |
| 189 | A | 58 | Low | 55.9 | Low | 62 Ų | 62 | 122.9 Ų | 122.9 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -62.8 | -13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L191 T192 | A189-L191 PolarHBondContact O-N 2.78Å; A189-T192 PolarHBondContact O-OG1 2.87Å; A189-T192 VanDerWaalsContact O-OG1 3.14Å |
| 190 | N | 60.9 | Low | 56.4 | Low | 155 Ų | 155 | 116.4 Ų | 116.4 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -78.9 | -2.1 | 177.8 | -61.6 | -54.5 | 0 | 0 | 0 | 114.2 | Y188 T192 | Y188-N190 PolarHBondContact O-N 2.97Å; N190-T192 VanDerWaalsContact C-N 3.31Å |
| 191 | L | 57.8 | Low | 56.9 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -97.9 | 28 | 175.3 | -59.5 | 179.6 | 0 | 0 | 0 | 112 | Y188 A189 D193 | Y188-L191 PolarHBondContact O-N 2.85Å; A189-L191 PolarHBondContact O-N 2.78Å; L191-D193 PolarHBondContact O-N 2.91Å |
| 192 | T | 53.8 | Low | 57.9 | Low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 67% | 0.668 | S | S | * | * | | | trans | -58.3 | 120 | 169.5 | -52.2 | 0 | 0 | 0 | 0 | 107 | A189 N190 S194 | A189-T192 PolarHBondContact O-OG1 2.87Å; A189-T192 VanDerWaalsContact O-OG1 3.14Å; N190-T192 VanDerWaalsContact C-N 3.31Å; T192-S194 PolarHBondContact O-N 3.26Å |
| 193 | D | 54.8 | Low | 58 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | | | trans | -41.4 | 97.7 | -178.3 | -154.6 | 2.8 | 0 | 0 | 0 | 110.2 | L191 N195 | L191-D193 PolarHBondContact O-N 2.91Å; D193-N195 VanDerWaalsContact C-N 3.29Å; D193-N195 PolarHBondContact O-N 3.19Å |
| 194 | S | 51.7 | Low | 58.4 | Low | 72 Ų | 72 | 120.4 Ų | 120.4 | 50% | 0.503 | 66% | 0.66 | S | S | . | * | | | trans | -68.3 | 98.8 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 105.6 | T192 D196 | T192-S194 PolarHBondContact O-N 3.26Å; S194-D196 PolarHBondContact O-N 3.33Å; S194-D196 WeakPolarHBondContact OG-CB 3.19Å |
| 195 | N | 59.4 | Low | 58.8 | Low | 153 Ų | 153 | 121.1 Ų | 121.1 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | | | trans | -63.4 | 24.2 | 167.9 | -104.9 | -74.1 | 0 | 0 | 0 | 112.3 | D193 P197 | D193-N195 VanDerWaalsContact C-N 3.29Å; D193-N195 PolarHBondContact O-N 3.19Å; N195-P197 WeakPolarHBondContact O-CD 3.24Å |
| 196 | D | 54.7 | Low | 58.9 | Low | 80 Ų | 80 | 127.5 Ų | 127.5 | 43% | 0.428 | 68% | 0.684 | S | S | . | * | | | trans | -87.2 | 111.1 | 169.7 | -172.2 | -1.8 | 0 | 0 | 0 | 108.6 | S194 A198 A199 | S194-D196 PolarHBondContact O-N 3.33Å; S194-D196 WeakPolarHBondContact OG-CB 3.19Å; D196-A198 PolarHBondContact O-N 2.88Å; D196-A198 VanDerWaalsContact OD1-CB 3.26Å; D196-A198 WeakPolarHBondContact OD1-CB 3.39Å; D196-A198 PolarHBondContact OD1-N 2.92Å; D196-A199 HydrophobicContact CB-CB 4.06Å; D196-A199 PolarHBondContact O-N 3.41Å |
| 197 | P | 58.3 | Low | 59.2 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -8.9 | 174.6 | 27.2 | -35.3 | 0 | 0 | 0 | 113.1 | N195 | N195-P197 WeakPolarHBondContact O-CD 3.24Š|
| 198 | A | 59.6 | Low | 59.1 | Low | 84 Ų | 84 | 128.2 Ų | 128.2 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -22.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D196 | D196-A198 PolarHBondContact O-N 2.88Å; D196-A198 VanDerWaalsContact OD1-CB 3.26Å; D196-A198 WeakPolarHBondContact OD1-CB 3.39Å; D196-A198 PolarHBondContact OD1-N 2.92Å |
| 199 | A | 59 | Low | 59.2 | Low | 55 Ų | 55 | 125.8 Ų | 125.8 | 46% | 0.455 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | -7.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D196 V201 | D196-A199 HydrophobicContact CB-CB 4.06Å; D196-A199 PolarHBondContact O-N 3.41Å; A199-V201 PolarHBondContact O-N 2.87Å |
| 200 | A | 60.9 | Low | 59.8 | Low | 60 Ų | 60 | 132.6 Ų | 132.6 | 50% | 0.496 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -57.7 | 124.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R202 | A200-R202 VanDerWaalsContact C-N 3.29Å; A200-R202 WeakPolarHBondContact O-CG 3.04Å; A200-R202 PolarHBondContact O-N 3.17Å |
| 201 | V | 62.6 | Low | 60.1 | Low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | | | trans | -65.6 | 89.7 | 176.5 | 178 | 0 | 0 | 0 | 0 | 108.9 | A199 W203 | A199-V201 PolarHBondContact O-N 2.87Å; V201-W203 PolarHBondContact O-N 3.14Å |
| 202 | R | 68.8 | Low | 60.4 | Low | 195 Ų | 195 | 130.5 Ų | 130.5 | 74% | 0.736 | 72% | 0.717 | S | S | * | * | | | trans | -83 | 108.2 | 177.3 | -68.1 | 171.5 | 73.6 | 156.5 | 5.3 | 108.2 | A200 T204 | A200-R202 VanDerWaalsContact C-N 3.29Å; A200-R202 WeakPolarHBondContact O-CG 3.04Å; A200-R202 PolarHBondContact O-N 3.17Å; R202-T204 HydrophobicContact CB-CG2 4.01Å; R202-T204 PolarHBondContact O-N 3.49Å |
| 203 | W | 57.9 | Low | 60.6 | Low | 247 Ų | 247 | 128.4 Ų | 128.4 | 94% | 0.936 | 72% | 0.719 | S | S | * | * | | | trans | -64.2 | 87.7 | 164.9 | -61.4 | 81.9 | 0 | 0 | 0 | 108.5 | V201 | V201-W203 PolarHBondContact O-N 3.14Š|
| 204 | T | 65.7 | Low | 61.1 | Low | 80 Ų | 80 | 129.6 Ų | 129.6 | 49% | 0.491 | 72% | 0.724 | S | S | . | * | | | trans | -85 | 117.6 | 176.8 | 68.7 | 0 | 0 | 0 | 0 | 109 | R202 R206 | R202-T204 HydrophobicContact CB-CG2 4.01Å; R202-T204 PolarHBondContact O-N 3.49Å; T204-R206 PolarHBondContact O-N 2.97Å |
| 205 | S | 59 | Low | 61.4 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | trans | -73.4 | 72.7 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | A207 | S205-A207 PolarHBondContact O-N 3.19Š|
| 206 | R | 59.9 | Low | 62 | Low | 221 Ų | 221 | 135.1 Ų | 135.1 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | | | trans | -81 | 63.6 | 174.7 | -66.2 | -170.8 | -175.6 | -148.1 | 3 | 110.8 | T204 | T204-R206 PolarHBondContact O-N 2.97Š|
| 207 | A | 62.1 | Low | 62.3 | Low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | -111.6 | 81.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S205 V209 | S205-A207 PolarHBondContact O-N 3.19Å; A207-V209 VanDerWaalsContact C-N 3.31Å |
| 208 | K | 61.2 | Low | 62.4 | Low | 213 Ų | 213 | 139.2 Ų | 139.2 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | | | trans | -97 | 50.5 | 167.6 | -69.8 | -176.9 | 177.8 | 173.6 | 0 | 109.9 | | |
| 209 | V | 57.9 | Low | 62.4 | Low | 120 Ų | 120 | 146.5 Ų | 146.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -101.3 | 124.6 | 168.9 | 177.2 | 0 | 0 | 0 | 0 | 106.9 | A207 L211 | A207-V209 VanDerWaalsContact C-N 3.31Å; V209-L211 PolarHBondContact O-N 2.76Å |
| 210 | K | 68.8 | Low | 62 | Low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -60.7 | 102.5 | 170.2 | -88.8 | 170.1 | 67.9 | 167.7 | 0 | 106.9 | A212 | K210-A212 PolarHBondContact O-N 2.76Š|
| 211 | L | 67.4 | Low | 61.6 | Low | 163 Ų | 163 | 152.3 Ų | 152.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -58.4 | 114.9 | 167.7 | -67.9 | 174.6 | 0 | 0 | 0 | 106.9 | V209 G213 | V209-L211 PolarHBondContact O-N 2.76Å; L211-G213 PolarHBondContact O-N 3.36Å; L211-G213 VanDerWaalsContact O-N 3.13Å |
| 212 | A | 65.1 | Low | 60.8 | Low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | -59.3 | 118.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | K210 I214 | K210-A212 PolarHBondContact O-N 2.76Å; A212-I214 PolarHBondContact O-N 3.45Å |
| 213 | G | 57.9 | Low | 60.1 | Low | 76 Ų | 76 | 146.8 Ų | 146.8 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | -59.8 | 114.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L211 S215 | L211-G213 PolarHBondContact O-N 3.36Å; L211-G213 VanDerWaalsContact O-N 3.13Å; G213-S215 VanDerWaalsContact C-N 3.35Å; G213-S215 PolarHBondContact O-N 2.97Å |
| 214 | I | 64.3 | Low | 59.7 | Low | 160 Ų | 160 | 143.5 Ų | 143.5 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 97 | 172.1 | -54.1 | 172 | 0 | 0 | 0 | 106.3 | A212 R216 | A212-I214 PolarHBondContact O-N 3.45Å; I214-R216 PolarHBondContact O-N 2.88Å |
| 215 | S | 59.5 | Low | 58.9 | Low | 108 Ų | 108 | 144.9 Ų | 144.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | -71.8 | 108.8 | 169.5 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | G213 M217 | G213-S215 VanDerWaalsContact C-N 3.35Å; G213-S215 PolarHBondContact O-N 2.97Å; S215-M217 PolarHBondContact O-N 2.78Å |
| 216 | R | 71.1 | Confident | 58.6 | Low | 233 Ų | 233 | 144.3 Ų | 144.3 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -68.8 | 101.5 | 168 | -76.1 | 178.2 | 150.3 | -164.2 | -6.1 | 107.5 | I214 S218 | I214-R216 PolarHBondContact O-N 2.88Å; R216-S218 PolarHBondContact O-N 2.84Å |
| 217 | M | 61.7 | Low | 58.3 | Low | 166 Ų | 166 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -59.4 | 105.7 | 161.4 | 49.8 | 171.1 | 68.8 | 0 | 0 | 107.8 | S215 R219 | S215-M217 PolarHBondContact O-N 2.78Å; M217-R219 PolarHBondContact O-N 3.14Å; M217-R219 VanDerWaalsContact O-N 3.08Å |
| 218 | S | 59.4 | Low | 57.7 | Low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | | | trans | -62 | 109.6 | 166.7 | 52.5 | 0 | 0 | 0 | 0 | 106.9 | R216 G220 | R216-S218 PolarHBondContact O-N 2.84Å; S218-G220 PolarHBondContact O-N 2.9Å; S218-G220 VanDerWaalsContact O-N 3.11Å |
| 219 | R | 60.2 | Low | 56.9 | Low | 237 Ų | 237 | 139.5 Ų | 139.5 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | | | trans | -61.3 | 117.7 | 163.1 | -73.5 | -174.9 | 178.4 | 179.8 | -0.7 | 105.9 | M217 | M217-R219 PolarHBondContact O-N 3.14Å; M217-R219 VanDerWaalsContact O-N 3.08Å |
| 220 | G | 51.3 | Low | 56.2 | Low | 65 Ų | 65 | 143.3 Ų | 143.3 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | trans | -51 | 141.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S218 A222 | S218-G220 PolarHBondContact O-N 2.9Å; S218-G220 VanDerWaalsContact O-N 3.11Å; G220-A222 VanDerWaalsContact C-N 3.27Å; G220-A222 PolarHBondContact O-N 2.85Å |
| 221 | I | 52.2 | Low | 55.2 | Low | 172 Ų | 172 | 146.8 Ų | 146.8 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | | | trans | -54.1 | 93.9 | 161.2 | 39 | 165.2 | 0 | 0 | 0 | 108.6 | S223 | I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 2.77Å; I221-S223 VanDerWaalsContact O-N 3.1Å |
| 222 | A | 45.9 | Very low | 54.6 | Low | 92 Ų | 92 | 146 Ų | 146 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -73.7 | 92.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | G220 E224 | G220-A222 VanDerWaalsContact C-N 3.27Å; G220-A222 PolarHBondContact O-N 2.85Å; A222-E224 VanDerWaalsContact C-N 3.31Å; A222-E224 PolarHBondContact O-N 3.01Å; A222-E224 VanDerWaalsContact O-N 3.14Å |
| 223 | S | 53.8 | Low | 54.1 | Low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | | | trans | -73.7 | 89.3 | 162.3 | 56.7 | 0 | 0 | 0 | 0 | 108.1 | I221 | I221-S223 VanDerWaalsContact C-N 3.31Å; I221-S223 PolarHBondContact O-N 2.77Å; I221-S223 VanDerWaalsContact O-N 3.1Å |
| 224 | E | 49.5 | Very low | 53.9 | Low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | | | trans | -127.1 | 103.9 | 162.1 | -83.2 | -172.3 | 157.3 | 0 | 0 | 109.8 | A222 | A222-E224 VanDerWaalsContact C-N 3.31Å; A222-E224 PolarHBondContact O-N 3.01Å; A222-E224 VanDerWaalsContact O-N 3.14Å |
| 225 | S | 48.1 | Very low | 53.2 | Low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | | | trans | 47.2 | 129.7 | 154.4 | 65.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 226 | P | 53.6 | Low | 52.8 | Low | 110 Ų | 110 | 155.3 Ų | 155.3 | 71% | 0.714 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -80.8 | 130.4 | 163.9 | 33.2 | -27.6 | 0 | 0 | 0 | 110.6 | | |
| 227 | W | 52.9 | Low | 51.6 | Low | 237 Ų | 237 | 150.1 Ų | 150.1 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | | | trans | 37.8 | 83.6 | 149.4 | -57.6 | 90 | 0 | 0 | 0 | 117.1 | | |
| 228 | A | 49.6 | Very low | 50.9 | Low | 108 Ų | 108 | 149 Ų | 149 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | | | trans | -105.6 | 104.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 229 | G | 44.4 | Very low | 50.3 | Low | 75 Ų | 75 | 151.9 Ų | 151.9 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | | | trans | 90.5 | 89.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 230 | F | 43.3 | Very low | 49.4 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 88% | 0.877 | 84% | 0.839 | S | S | * | * | | | trans | -69 | 118.9 | 138.9 | -103.9 | -93.9 | 0 | 0 | 0 | 107.9 | | |
| 231 | K | 48.6 | Very low | 49.3 | Very low | 279 Ų | 279 | 152.1 Ų | 152.1 | 100% | 1.213 | 85% | 0.854 | S | S | * | * | | | trans | -160.5 | 0 | 151.6 | -109.8 | -175.5 | 178.3 | -169.1 | 0 | 109.8 | | |