| 1 | M | 39 | Very low | 40.6 | Very low | 236 Ų | 236 | 139.6 Ų | 139.6 | 100% | 1.163 | 83% | 0.825 | S | S | * | * | | | | 0 | 110.3 | 0 | -76.4 | -171.8 | 162.6 | 0 | 0 | 107.9 | | |
| 2 | S | 36.6 | Very low | 40.4 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | | | trans | -87.2 | 127.5 | -176.7 | 30.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 3 | F | 43.5 | Very low | 40.6 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | | | trans | -117 | 125.9 | 159.3 | -75.4 | -76.3 | 0 | 0 | 0 | 109.2 | | |
| 4 | I | 43.6 | Very low | 41 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | -76.2 | 142.4 | -164.4 | -70.5 | 169 | 0 | 0 | 0 | 111 | | |
| 5 | C | 38.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -48.3 | 145.5 | 168.2 | -77.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 6 | G | 37.2 | Very low | 41.2 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | | 87.7 | 101 | 129.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 7 | L | 39.9 | Very low | 41.1 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | | | trans | -145 | 91.9 | 138 | -115.5 | 128.7 | 0 | 0 | 0 | 110.3 | S9 | L7-S9 PolarHBondContact O-N 3.5Å; L7-S9 VanDerWaalsContact O-N 3.15Å |
| 8 | Q | 42.7 | Very low | 41 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -57.8 | 101 | 163.8 | 179.7 | 172.3 | 4.3 | 0 | 0 | 109.3 | A10 | Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.93Å |
| 9 | S | 37.2 | Very low | 41 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | | | trans | -81.8 | 79.8 | 169.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L7 | L7-S9 PolarHBondContact O-N 3.5Å; L7-S9 VanDerWaalsContact O-N 3.15Å |
| 10 | A | 45 | Very low | 41.1 | Very low | 74 Ų | 74 | 152 Ų | 152 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | trans | -78.3 | 137.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q8 | Q8-A10 VanDerWaalsContact C-N 3.28Å; Q8-A10 PolarHBondContact O-N 2.93Å |
| 11 | A | 43 | Very low | 41 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | | | trans | 75.4 | 118.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 12 | R | 38.4 | Very low | 41.5 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | | 169.5 | 113.5 | 106.6 | -86.8 | 157.9 | -177.9 | -154.6 | -0 | 112.1 | | |
| 13 | N | 43.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | 38.4 | 95.7 | 147.1 | -57.2 | -31.4 | 0 | 0 | 0 | 118.6 | V15 | N13-V15 PolarHBondContact O-N 3.45Š|
| 14 | H | 45.5 | Very low | 42.4 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | trans | -79.8 | 91.6 | 164.6 | -143.7 | -82.2 | 0 | 0 | 0 | 109.5 | F16 | H14-F16 HydrophobicContact CB-CE2 4.33Å; H14-F16 AromaticContact CE1-CE1 3.56Å; H14-F16 AromaticContact CE1-CE2 3.59Å; H14-F16 AromaticContact CE1-CZ 3.23Å; H14-F16 WeakPolarHBondContact CE1-CZ 3.34Å; H14-F16 AromaticContact CG-CE2 3.84Å; H14-F16 AromaticContact ND1-CD2 3.34Å; H14-F16 VanDerWaalsContact ND1-CD2 3.34Å; H14-F16 WeakPolarHBondContact ND1-CD2 3.35Å; H14-F16 AromaticContact ND1-CE1 3.7Å; H14-F16 AromaticContact ND1-CE2 2.98Å; H14-F16 WeakPolarHBondContact ND1-CE2 3.33Å; H14-F16 AromaticContact ND1-CG 3.86Å; H14-F16 AromaticContact ND1-CZ 3.18Å; H14-F16 WeakPolarHBondContact ND1-CZ 3.3Å; H14-F16 PolarHBondContact O-N 3.03Å |
| 15 | V | 44.2 | Very low | 42.3 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | | | trans | -82 | 97.4 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | N13 F17 | N13-V15 PolarHBondContact O-N 3.45Å; V15-F17 HydrophobicContact CG1-CD2 4.04Å; V15-F17 HydrophobicContact CG1-CE2 3.75Å; V15-F17 HydrophobicContact CG1-CZ 4.22Å; V15-F17 PolarHBondContact O-N 3.11Å |
| 16 | F | 41.8 | Very low | 42.7 | Very low | 170 Ų | 170 | 150.6 Ų | 150.6 | 75% | 0.746 | 77% | 0.766 | S | S | * | * | | | trans | -74 | 108 | 168 | -77.3 | -82.1 | 0 | 0 | 0 | 109.3 | H14 R18 | H14-F16 HydrophobicContact CB-CE2 4.33Å; H14-F16 AromaticContact CE1-CE1 3.56Å; H14-F16 AromaticContact CE1-CE2 3.59Å; H14-F16 AromaticContact CE1-CZ 3.23Å; H14-F16 WeakPolarHBondContact CE1-CZ 3.34Å; H14-F16 AromaticContact CG-CE2 3.84Å; H14-F16 AromaticContact ND1-CD2 3.34Å; H14-F16 VanDerWaalsContact ND1-CD2 3.34Å; H14-F16 WeakPolarHBondContact ND1-CD2 3.35Å; H14-F16 AromaticContact ND1-CE1 3.7Å; H14-F16 AromaticContact ND1-CE2 2.98Å; H14-F16 WeakPolarHBondContact ND1-CE2 3.33Å; H14-F16 AromaticContact ND1-CG 3.86Å; H14-F16 AromaticContact ND1-CZ 3.18Å; H14-F16 WeakPolarHBondContact ND1-CZ 3.3Å; H14-F16 PolarHBondContact O-N 3.03Å; F16-R18 PolarHBondContact O-N 3.23Å |
| 17 | F | 39.4 | Very low | 43 | Very low | 165 Ų | 165 | 156.8 Ų | 156.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 101.8 | 163.7 | -79.1 | -84.5 | 0 | 0 | 0 | 108.9 | V15 F19 | V15-F17 HydrophobicContact CG1-CD2 4.04Å; V15-F17 HydrophobicContact CG1-CE2 3.75Å; V15-F17 HydrophobicContact CG1-CZ 4.22Å; V15-F17 PolarHBondContact O-N 3.11Å; F17-F19 PolarHBondContact O-N 3.24Å |
| 18 | R | 38.2 | Very low | 42.9 | Very low | 214 Ų | 214 | 153.4 Ų | 153.4 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -73.6 | 100.2 | 170 | -176.8 | 178.4 | 172.1 | 172.1 | 2.7 | 108.5 | F16 N20 | F16-R18 PolarHBondContact O-N 3.23Å; R18-N20 PolarHBondContact NE-OD1 3.47Å; R18-N20 PolarHBondContact O-N 3.26Å; R18-N20 VanDerWaalsContact O-N 3.16Å |
| 19 | F | 41 | Very low | 43 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | -69.8 | 103.7 | 162.8 | -81.5 | -88.3 | 0 | 0 | 0 | 108.1 | F17 S21 | F17-F19 PolarHBondContact O-N 3.24Å; F19-S21 PolarHBondContact O-N 3.23Å |
| 20 | N | 43 | Very low | 43.3 | Very low | 121 Ų | 121 | 153 Ų | 153 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | | | trans | -69.4 | 116.7 | 162.7 | -88.1 | -18.2 | 0 | 0 | 0 | 107.6 | R18 L22 | R18-N20 PolarHBondContact NE-OD1 3.47Å; R18-N20 PolarHBondContact O-N 3.26Å; R18-N20 VanDerWaalsContact O-N 3.16Å; N20-L22 PolarHBondContact O-N 3.39Å |
| 21 | S | 39.6 | Very low | 43 | Very low | 96 Ų | 96 | 156.7 Ų | 156.7 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | -44.4 | 116.7 | 170.4 | 160.4 | 0 | 0 | 0 | 0 | 111.1 | F19 S23 | F19-S21 PolarHBondContact O-N 3.23Å; S21-S23 PolarHBondContact O-N 2.97Å; S21-S23 WeakPolarHBondContact OG-CB 3.43Å; S21-S23 PolarHBondContact OG-OG 3.26Å |
| 22 | L | 50.6 | Low | 42.6 | Very low | 162 Ų | 162 | 157.7 Ų | 157.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -73.5 | 62.9 | 168.5 | -115.5 | 154.7 | 0 | 0 | 0 | 109.3 | N20 N24 | N20-L22 PolarHBondContact O-N 3.39Å; L22-N24 VanDerWaalsContact C-N 3.33Å; L22-N24 PolarHBondContact O-N 3.46Å |
| 23 | S | 50.3 | Low | 42.5 | Very low | 94 Ų | 94 | 151.7 Ų | 151.7 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | -91.7 | 67.5 | 173.5 | 57 | 0 | 0 | 0 | 0 | 109.7 | S21 | S21-S23 PolarHBondContact O-N 2.97Å; S21-S23 WeakPolarHBondContact OG-CB 3.43Å; S21-S23 PolarHBondContact OG-OG 3.26Å |
| 24 | N | 47.5 | Very low | 42 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -161.1 | 54 | 156.2 | -122.8 | -22.4 | 0 | 0 | 0 | 112.4 | L22 | L22-N24 VanDerWaalsContact C-N 3.33Å; L22-N24 PolarHBondContact O-N 3.46Å |
| 25 | W | 41.2 | Very low | 41.4 | Very low | 225 Ų | 225 | 150.1 Ų | 150.1 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | -99.5 | 62.9 | 167.5 | -168.7 | -84.2 | 0 | 0 | 0 | 110.3 | | |
| 26 | R | 48.2 | Very low | 40.9 | Very low | 233 Ų | 233 | 156.8 Ų | 156.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -151.6 | 85.6 | 163 | -76.1 | -159.5 | -171.1 | -155.1 | 3 | 110.3 | | |
| 27 | K | 43.3 | Very low | 40.4 | Very low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -165.6 | 80.9 | 148.4 | -107.7 | 169.3 | -176.3 | -176.4 | 0 | 107.5 | | |
| 28 | C | 37.8 | Very low | 40.1 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | trans | -75.9 | 123.6 | 160.6 | -64.9 | 0 | 0 | 0 | 0 | 106.3 | T30 | C28-T30 PolarHBondContact O-N 2.86Š|
| 29 | N | 44.8 | Very low | 40 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -72.3 | 109.4 | 177.2 | -67.8 | -30.4 | 0 | 0 | 0 | 108.8 | | |
| 30 | T | 42.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 146 Ų | 146 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 129.9 | 170.7 | -49.9 | 0 | 0 | 0 | 0 | 109.1 | C28 A32 | C28-T30 PolarHBondContact O-N 2.86Å; T30-A32 PolarHBondContact O-N 3.33Å |
| 31 | L | 38.9 | Very low | 39.3 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | -37.8 | 127.8 | 176.9 | -121.4 | 101 | 0 | 0 | 0 | 113.6 | | |
| 32 | A | 35.2 | Very low | 39.3 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -88.1 | 102.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | T30 | T30-A32 PolarHBondContact O-N 3.33Š|
| 33 | S | 36.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -100.6 | 100.9 | 162.6 | -69.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 34 | T | 32.7 | Very low | 38.1 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -85.1 | 111.9 | 165.9 | 37.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 35 | S | 31.7 | Very low | 37.9 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -137.2 | 135.6 | 155.6 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 36 | R | 34.5 | Very low | 37.9 | Very low | 247 Ų | 247 | 147.9 Ų | 147.9 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | | | trans | -88.2 | 135.4 | -161.4 | -176.5 | -174 | -166.3 | -172.4 | 3.8 | 109.7 | | |
| 37 | G | 31.3 | Very low | 37.5 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | trans | 158.7 | 124 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 38 | C | 33.2 | Very low | 37 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 94.6 | 102.4 | 148.1 | -59.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 39 | H | 35.9 | Very low | 37 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 75% | 0.75 | 78% | 0.782 | S | S | * | * | | | | 55.4 | 105.9 | 128.8 | -69.4 | -82.7 | 0 | 0 | 0 | 121.4 | | |
| 40 | Q | 37.8 | Very low | 36.9 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | | 41.2 | 103.2 | 113.6 | -169.5 | 178.3 | 16.6 | 0 | 0 | 118.2 | | |
| 41 | V | 32.9 | Very low | 36.5 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -143.6 | 120.9 | 138.7 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | V43 | V41-V43 HydrophobicContact CG1-CG2 4.23Š|
| 42 | Q | 38.6 | Very low | 36.2 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -96 | 125.2 | 177.3 | -172.5 | -178.8 | 64.1 | 0 | 0 | 107.5 | | |
| 43 | V | 36.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -136.1 | 106.4 | 163.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | V41 | V41-V43 HydrophobicContact CG1-CG2 4.23Š|
| 44 | N | 39.2 | Very low | 36.2 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | trans | -75.3 | 132.8 | 166.3 | -67.3 | -57.7 | 0 | 0 | 0 | 108.8 | | |
| 45 | H | 42.5 | Very low | 36.4 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -142.9 | 114.8 | 151.2 | -140.5 | -81.7 | 0 | 0 | 0 | 111 | | |
| 46 | I | 41.9 | Very low | 36.5 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | trans | -93.4 | 128.4 | 172.1 | -73.5 | 166 | 0 | 0 | 0 | 107.4 | | |
| 47 | V | 38.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | trans | -156.6 | 101.5 | 155.6 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 48 | N | 34.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | | 74.1 | 98.3 | 101.1 | -149.6 | 30.4 | 0 | 0 | 0 | 114.7 | | |
| 49 | K | 37.5 | Very low | 36.5 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | | | | 71.5 | 133.9 | 95.7 | -61.9 | -163.2 | -174.9 | 177.9 | 0 | 118.4 | | |
| 50 | Y | 41.9 | Very low | 36.3 | Very low | 173 Ų | 173 | 145 Ų | 145 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | 93.3 | 126.5 | 147.3 | -59.6 | -60.4 | 0 | 0 | 0 | 122.3 | | |
| 51 | Q | 34.9 | Very low | 35.8 | Very low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | trans | 73.7 | 131.3 | 135.2 | -95 | 170.3 | -26.1 | 0 | 0 | 121.1 | | |
| 52 | G | 33.1 | Very low | 36 | Very low | 80 Ų | 80 | 145.9 Ų | 145.9 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 167.4 | 72.5 | 160 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 53 | L | 35 | Very low | 35.8 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -56.8 | 132.3 | 169.2 | -171 | 78 | 0 | 0 | 0 | 111.1 | | |
| 54 | G | 36.6 | Very low | 36 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | -157.4 | 82.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 55 | V | 35.7 | Very low | 36.4 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | | | trans | -81.2 | 130.1 | 171.7 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 56 | N | 34.8 | Very low | 36 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | | | trans | -159.2 | 113.1 | 137.9 | -141.6 | -5.2 | 0 | 0 | 0 | 114.1 | | |
| 57 | Q | 34 | Very low | 36 | Very low | 158 Ų | 158 | 142.8 Ų | 142.8 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | 41.5 | 110.9 | 140.5 | -66.6 | 170.2 | 23.1 | 0 | 0 | 119.2 | | |
| 58 | C | 33.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | | 76.3 | 105.6 | 79.2 | -75.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 59 | D | 30.2 | Very low | 36.5 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | | -132.4 | 121.1 | 128.9 | -96.8 | -34.7 | 0 | 0 | 0 | 109.8 | | |
| 60 | R | 32.1 | Very low | 36.5 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -101.2 | 110.7 | -165.1 | 161.9 | -173.1 | 154 | -146.5 | -1.5 | 107.9 | | |
| 61 | W | 27.4 | Very low | 36.4 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | -133.7 | 112.1 | 152.4 | -73.6 | 75.7 | 0 | 0 | 0 | 109.1 | | |
| 62 | S | 37.2 | Very low | 36.4 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 49% | 0.49 | 78% | 0.78 | S | S | . | * | | | trans | -82.4 | 164.1 | -171.8 | 37.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 63 | F | 34.2 | Very low | 36.5 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | 98.8 | 95 | 157.5 | -50.8 | -67.6 | 0 | 0 | 0 | 118.2 | | |
| 64 | L | 40.7 | Very low | 36.7 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -55.7 | 176.6 | 135 | -73.9 | 166.4 | 0 | 0 | 0 | 110.8 | | |
| 65 | P | 48.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 153.3 Ų | 153.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | cis | -130.3 | 129.3 | -28.9 | 27.8 | -8.3 | 0 | 0 | 0 | 111.1 | | |
| 66 | G | 33.1 | Very low | 37.1 | Very low | 60 Ų | 60 | 154.7 Ų | 154.7 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | trans | -115.7 | 92.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | F68 | G66-F68 WeakPolarHBondContact O-CD2 3.2Å; G66-F68 PolarHBondContact O-N 3.2Å |
| 67 | N | 42.8 | Very low | 37.3 | Very low | 147 Ų | 147 | 156.4 Ų | 156.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -70.9 | 111.7 | 171.6 | -151.7 | -4.7 | 0 | 0 | 0 | 108.8 | | |
| 68 | F | 43.3 | Very low | 37.4 | Very low | 168 Ų | 168 | 159.1 Ų | 159.1 | 74% | 0.737 | 79% | 0.785 | S | S | * | * | | | trans | -112.8 | 99.8 | 178.5 | -73.4 | -74.3 | 0 | 0 | 0 | 111.3 | G66 F70 | G66-F68 WeakPolarHBondContact O-CD2 3.2Å; G66-F68 PolarHBondContact O-N 3.2Å; F68-F70 HydrophobicContact CB-CE2 4.18Å; F68-F70 PolarHBondContact O-N 2.78Å |
| 69 | H | 39.9 | Very low | 37.4 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 117.1 | 161.3 | -81.8 | -84.3 | 0 | 0 | 0 | 109.5 | | |
| 70 | F | 37.5 | Very low | 37.7 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | -95.1 | 98.3 | 165.6 | -77.4 | -83.7 | 0 | 0 | 0 | 109.4 | F68 | F68-F70 HydrophobicContact CB-CE2 4.18Å; F68-F70 PolarHBondContact O-N 2.78Å |
| 71 | Y | 38.8 | Very low | 37.8 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | | | trans | -87.2 | 118.2 | 155.2 | -96.3 | -85.4 | 0 | 0 | 0 | 108.1 | T73 | Y71-T73 PolarHBondContact O-N 2.88Š|
| 72 | S | 35.7 | Very low | 38.6 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -76.4 | 113.2 | 172.1 | 179 | 0 | 0 | 0 | 0 | 108.8 | | |
| 73 | T | 35.3 | Very low | 38.5 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -99.4 | 111.8 | 167.1 | -55.9 | 0 | 0 | 0 | 0 | 107.8 | Y71 | Y71-T73 PolarHBondContact O-N 2.88Š|
| 74 | F | 39.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 143.3 Ų | 143.3 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | -119.2 | 109.6 | 168.8 | -130.2 | -90.7 | 0 | 0 | 0 | 107.4 | | |
| 75 | N | 40.6 | Very low | 38.7 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -169.7 | 154.2 | 130.3 | -100.5 | -25.9 | 0 | 0 | 0 | 114.1 | | |
| 76 | N | 39.2 | Very low | 38.6 | Very low | 152 Ų | 152 | 146.5 Ų | 146.5 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -74.2 | 152.7 | -154.4 | -160.8 | -12.4 | 0 | 0 | 0 | 114.5 | | |
| 77 | K | 39.9 | Very low | 39 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -63.9 | 159 | 166.5 | -58.8 | -169.3 | 176.4 | -167.8 | 0 | 108.4 | | |
| 78 | R | 36.5 | Very low | 39 | Very low | 215 Ų | 215 | 152.1 Ų | 152.1 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | cis | -179.7 | 143.6 | 18.3 | -129.7 | 177 | -163 | -172.5 | 3 | 102.8 | | |
| 79 | T | 33.2 | Very low | 39.1 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | | 169.8 | 134.7 | 72 | -69.3 | 0 | 0 | 0 | 0 | 108 | | |
| 80 | G | 36.1 | Very low | 39.1 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 30.5 | 121.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 81 | G | 33.8 | Very low | 39 | Very low | 82 Ų | 82 | 152.3 Ų | 152.3 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | 174.8 | 104.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 82 | L | 46 | Very low | 38.8 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | | | trans | -81.2 | 126.1 | -178.7 | -129 | 156.6 | 0 | 0 | 0 | 110.5 | | |
| 83 | S | 34.8 | Very low | 39.4 | Very low | 105 Ų | 105 | 153.3 Ų | 153.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 174.5 | 107.1 | 149.4 | 36.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 84 | S | 42.5 | Very low | 39.7 | Very low | 104 Ų | 104 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | | 49.2 | 101.5 | 96.3 | -176.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 85 | T | 35.5 | Very low | 40.1 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | | | | 172.5 | 144.7 | 119 | 31.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 86 | K | 46 | Very low | 39.8 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | | | trans | -27.8 | 129.2 | -179.3 | -71.1 | -177.1 | 169.7 | -178.9 | 0 | 117.3 | | |
| 87 | S | 43.1 | Very low | 40.1 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -147.8 | 111.9 | 130.2 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | E89 | S87-E89 PolarHBondContact O-N 3.24Š|
| 88 | K | 41.6 | Very low | 40.1 | Very low | 204 Ų | 204 | 146.4 Ų | 146.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | | | trans | -12.6 | 102 | 157.3 | -151.9 | 170.9 | -177.9 | -178.5 | 0 | 117 | | |
| 89 | E | 45.3 | Very low | 40 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | | 37.1 | 130 | 123.9 | -70.5 | -165.5 | -155.4 | 0 | 0 | 122 | S87 | S87-E89 PolarHBondContact O-N 3.24Š|
| 90 | I | 40.1 | Very low | 40 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 65% | 0.651 | 79% | 0.793 | S | S | * | * | | | trans | 91.4 | 77.5 | 149.9 | -55.2 | 146.6 | 0 | 0 | 0 | 116.1 | R92 | I90-R92 HydrophobicContact CG2-CB 4.26Å; I90-R92 HydrophobicContact CG2-CG 4.46Å |
| 91 | W | 35.1 | Very low | 40 | Very low | 231 Ų | 231 | 149.3 Ų | 149.3 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | | | trans | -81.7 | 104.3 | 146.6 | -126.7 | 74 | 0 | 0 | 0 | 107.6 | I93 | W91-I93 HydrophobicContact CE3-CD1 3.66Å; W91-I93 HydrophobicContact CE3-CG1 3.26Å; W91-I93 HydrophobicContact CH2-CG1 4.46Å; W91-I93 HydrophobicContact CZ3-CD1 3.48Å; W91-I93 VanDerWaalsContact CZ3-CD1 3.48Å; W91-I93 HydrophobicContact CZ3-CG1 3.26Å |
| 92 | R | 36 | Very low | 40.6 | Very low | 220 Ų | 220 | 151 Ų | 151 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -108.1 | 111 | 164.1 | -107.2 | -159.6 | -76.3 | -168.4 | -3.4 | 109.1 | I90 | I90-R92 HydrophobicContact CG2-CB 4.26Å; I90-R92 HydrophobicContact CG2-CG 4.46Å |
| 93 | I | 48.5 | Very low | 40.1 | Very low | 117 Ų | 117 | 147 Ų | 147 | 60% | 0.6 | 77% | 0.774 | S | S | * | * | | | trans | -75.2 | 122.7 | 170.8 | -56.6 | 175 | 0 | 0 | 0 | 107.6 | W91 | W91-I93 HydrophobicContact CE3-CD1 3.66Å; W91-I93 HydrophobicContact CE3-CG1 3.26Å; W91-I93 HydrophobicContact CH2-CG1 4.46Å; W91-I93 HydrophobicContact CZ3-CD1 3.48Å; W91-I93 VanDerWaalsContact CZ3-CD1 3.48Å; W91-I93 HydrophobicContact CZ3-CG1 3.26Å |
| 94 | T | 41.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 151 Ų | 151 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -129.7 | 84.3 | 157 | 18.4 | 0 | 0 | 0 | 0 | 108.6 | K96 | T94-K96 PolarHBondContact O-N 3.42Š|
| 95 | S | 46.7 | Very low | 40 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | trans | -75.1 | 92 | 157.4 | 57.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 96 | K | 34 | Very low | 40.3 | Very low | 180 Ų | 180 | 155.5 Ų | 155.5 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -90.5 | 101.6 | 159.4 | -85.9 | -164.9 | 174.2 | -175.5 | 0 | 108.1 | T94 T98 | T94-K96 PolarHBondContact O-N 3.42Å; K96-T98 PolarHBondContact O-N 2.71Å |
| 97 | C | 45.3 | Very low | 39.8 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | -56.3 | 118.8 | 152.4 | -66.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 98 | T | 40.1 | Very low | 39.8 | Very low | 112 Ų | 112 | 156 Ų | 156 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | | | trans | -131.6 | 103 | 161 | 52.2 | 0 | 0 | 0 | 0 | 108.9 | K96 | K96-T98 PolarHBondContact O-N 2.71Š|
| 99 | V | 33.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 153.7 Ų | 153.7 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | 59.3 | 95.2 | 130.7 | -177.9 | 0 | 0 | 0 | 0 | 115.2 | N101 | V99-N101 VanDerWaalsContact CG1-ND2 3.27Å; V99-N101 WeakPolarHBondContact CG1-ND2 3.19Å; V99-N101 PolarHBondContact O-N 3.09Å |
| 100 | W | 35 | Very low | 39.4 | Very low | 222 Ų | 222 | 153.4 Ų | 153.4 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -47.3 | 122.3 | 146.5 | -170.4 | 6 | 0 | 0 | 0 | 109.7 | | |
| 101 | N | 35.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -143.9 | 124.1 | 148.5 | -88.7 | -59.5 | 0 | 0 | 0 | 109.1 | V99 | V99-N101 VanDerWaalsContact CG1-ND2 3.27Å; V99-N101 WeakPolarHBondContact CG1-ND2 3.19Å; V99-N101 PolarHBondContact O-N 3.09Å |
| 102 | D | 45.2 | Very low | 39.6 | Very low | 118 Ų | 118 | 153.3 Ų | 153.3 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | | | trans | -48.5 | 136.1 | 166.9 | -91.1 | -50 | 0 | 0 | 0 | 112 | | |
| 103 | A | 36.4 | Very low | 39.7 | Very low | 95 Ų | 95 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -148.9 | 83.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S105 | A103-S105 PolarHBondContact O-N 3.45Å; A103-S105 VanDerWaalsContact O-N 3.12Å |
| 104 | F | 42.8 | Very low | 39.1 | Very low | 190 Ų | 190 | 149.3 Ų | 149.3 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -58.8 | 108.1 | 155.4 | -92.5 | -91.4 | 0 | 0 | 0 | 108.2 | | |
| 105 | S | 33.1 | Very low | 38.8 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -114.7 | 100.8 | 160.2 | -167.5 | 0 | 0 | 0 | 0 | 108.8 | A103 Q107 | A103-S105 PolarHBondContact O-N 3.45Å; A103-S105 VanDerWaalsContact O-N 3.12Å; S105-Q107 PolarHBondContact O-N 3.35Å; S105-Q107 VanDerWaalsContact O-N 3.15Å |
| 106 | R | 41.5 | Very low | 38.3 | Very low | 233 Ų | 233 | 149.7 Ų | 149.7 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -61.8 | 105.5 | 165.2 | -72.1 | -179.8 | -179.7 | -141.3 | 1.6 | 107.9 | | |
| 107 | Q | 36.3 | Very low | 38.9 | Very low | 187 Ų | 187 | 146.9 Ų | 146.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -103.5 | 79.7 | 156 | -87.6 | 178.3 | -0.2 | 0 | 0 | 108.6 | S105 | S105-Q107 PolarHBondContact O-N 3.35Å; S105-Q107 VanDerWaalsContact O-N 3.15Å |
| 108 | L | 42.4 | Very low | 38.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -112 | 94.8 | 156.8 | -171.3 | 105.1 | 0 | 0 | 0 | 106.1 | | |
| 109 | L | 36.8 | Very low | 38.7 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | -145.1 | 78.6 | 159.3 | -152.4 | 163.5 | 0 | 0 | 0 | 107.9 | K111 | L109-K111 HydrophobicContact CD2-CB 4.21Š|
| 110 | I | 41 | Very low | 39 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | | | trans | -77.1 | 113.7 | 157.3 | -65.9 | 170.8 | 0 | 0 | 0 | 105.7 | | |
| 111 | K | 41.8 | Very low | 39.1 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -152.4 | 102.4 | 148.1 | -149 | -178.8 | 179.8 | -172 | 0 | 109.2 | L109 | L109-K111 HydrophobicContact CD2-CB 4.21Š|
| 112 | E | 38.4 | Very low | 39.1 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -57 | 148 | 158.4 | -83.5 | -155.5 | 134.9 | 0 | 0 | 110.7 | | |
| 113 | V | 37.2 | Very low | 38.9 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | | | | -167.3 | 112 | 125.1 | 164.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 114 | T | 36.2 | Very low | 39.1 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | | | trans | 42 | 112.9 | 135.9 | -37.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 115 | A | 34.8 | Very low | 39.2 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -173.4 | 103.2 | 131.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 116 | V | 37 | Very low | 40 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | trans | 38.7 | 143.4 | 140.2 | -179.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 117 | P | 46.4 | Very low | 40.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -101.5 | 146.7 | -143.9 | 38.4 | -30.5 | 0 | 0 | 0 | 114.6 | | |
| 118 | S | 36.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -120 | 114.8 | 163.5 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | S120 | S118-S120 PolarHBondContact O-N 2.79Š|
| 119 | L | 45.1 | Very low | 41.2 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | trans | -46.1 | 121.6 | 169.6 | -70.8 | 163.5 | 0 | 0 | 0 | 110.8 | | |
| 120 | S | 39 | Very low | 41.8 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -158.5 | 111.7 | 160.7 | -85.2 | 0 | 0 | 0 | 0 | 111.6 | S118 | S118-S120 PolarHBondContact O-N 2.79Š|
| 121 | V | 38.3 | Very low | 42.5 | Very low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | 76 | 108.3 | 140.5 | -171 | 0 | 0 | 0 | 0 | 117 | | |
| 122 | L | 35.6 | Very low | 43.2 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | -42.6 | 136.5 | 162.4 | -113.9 | 90.1 | 0 | 0 | 0 | 113 | | |
| 123 | H | 40 | Very low | 44 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | | | trans | 66.6 | 118.8 | 151.1 | -99.1 | -89 | 0 | 0 | 0 | 119.1 | | |
| 124 | P | 40.2 | Very low | 45 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | | -112.6 | 123.3 | 120.3 | -3.9 | 23 | 0 | 0 | 0 | 110.2 | S126 | P124-S126 PolarHBondContact O-N 3.31Å; P124-S126 VanDerWaalsContact O-N 3.09Å |
| 125 | L | 45.8 | Very low | 46 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | | | trans | -41.4 | 109.6 | 166 | -170 | 69.6 | 0 | 0 | 0 | 111.2 | P127 | L125-P127 VanDerWaalsContact O-CD 3.24Å; L125-P127 WeakPolarHBondContact O-CD 3.26Å |
| 126 | S | 49 | Very low | 47.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -94.9 | 106.6 | 166 | 132.1 | 0 | 0 | 0 | 0 | 108 | P124 | P124-S126 PolarHBondContact O-N 3.31Å; P124-S126 VanDerWaalsContact O-N 3.09Å |
| 127 | P | 47.8 | Very low | 47.9 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -91.8 | 107.7 | 147.7 | 30.2 | -20.2 | 0 | 0 | 0 | 106.7 | L125 S129 | L125-P127 VanDerWaalsContact O-CD 3.24Å; L125-P127 WeakPolarHBondContact O-CD 3.26Å; P127-S129 PolarHBondContact O-N 3.25Å |
| 128 | A | 49.5 | Very low | 48.6 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | | | trans | -7.5 | 113.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I130 | A128-I130 VanDerWaalsContact C-N 3.27Å; A128-I130 PolarHBondContact O-N 2.89Å |
| 129 | S | 48.6 | Very low | 49.9 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | trans | -52.6 | 104.7 | 155 | 61.8 | 0 | 0 | 0 | 0 | 105.7 | P127 R131 | P127-S129 PolarHBondContact O-N 3.25Å; S129-R131 PolarHBondContact O-N 3.16Å |
| 130 | I | 50.7 | Low | 50.5 | Low | 157 Ų | 157 | 130.8 Ų | 130.8 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | | | trans | -66.2 | 73.9 | 167.1 | -61.4 | 171.1 | 0 | 0 | 0 | 104.7 | A128 A132 | A128-I130 VanDerWaalsContact C-N 3.27Å; A128-I130 PolarHBondContact O-N 2.89Å; I130-A132 HydrophobicContact CG2-CB 3.99Å; I130-A132 PolarHBondContact O-N 3.47Å |
| 131 | R | 55 | Low | 51.3 | Low | 191 Ų | 191 | 137 Ų | 137 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | | | trans | -71.8 | 65.2 | 155.3 | -99.5 | -174.7 | -101 | -126.1 | -3.1 | 105.4 | S129 I133 | S129-R131 PolarHBondContact O-N 3.16Å; R131-I133 HydrophobicContact CB-CD1 4.32Å; R131-I133 HydrophobicContact CB-CG1 4.06Å; R131-I133 HydrophobicContact CG-CD1 4.09Å; R131-I133 HydrophobicContact CG-CG1 3.95Å; R131-I133 PolarHBondContact O-N 3.45Å |
| 132 | A | 55.7 | Low | 52.1 | Low | 73 Ų | 73 | 139.3 Ų | 139.3 | 60% | 0.603 | 73% | 0.732 | S | S | * | * | | | trans | -70 | 67.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | I130 R134 | I130-A132 HydrophobicContact CG2-CB 3.99Å; I130-A132 PolarHBondContact O-N 3.47Å; A132-R134 PolarHBondContact O-N 2.92Å |
| 133 | I | 55.4 | Low | 53.2 | Low | 105 Ų | 105 | 140.5 Ų | 140.5 | 54% | 0.538 | 73% | 0.733 | S | S | . | * | | | trans | -58.1 | 93.5 | 150.2 | -59.6 | 169.8 | 0 | 0 | 0 | 100.9 | R131 N135 | R131-I133 HydrophobicContact CB-CD1 4.32Å; R131-I133 HydrophobicContact CB-CG1 4.06Å; R131-I133 HydrophobicContact CG-CD1 4.09Å; R131-I133 HydrophobicContact CG-CG1 3.95Å; R131-I133 PolarHBondContact O-N 3.45Å; I133-N135 WeakPolarHBondContact CG2-OD1 3.49Å; I133-N135 PolarHBondContact O-N 2.94Å |
| 134 | R | 59.2 | Low | 54.1 | Low | 206 Ų | 206 | 137.6 Ų | 137.6 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | | | trans | -55.1 | 92.9 | 160.3 | -79.7 | 177.8 | 163.4 | -175.3 | -4.7 | 102.6 | A132 F136 | A132-R134 PolarHBondContact O-N 2.92Å; R134-F136 WeakPolarHBondContact O-CD2 3.13Å; R134-F136 PolarHBondContact O-N 3.28Å |
| 135 | N | 56.8 | Low | 55.1 | Low | 126 Ų | 126 | 133.1 Ų | 133.1 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | | | trans | -60 | 93.9 | 168.8 | -71.3 | -40.2 | 0 | 0 | 0 | 102.4 | I133 H137 | I133-N135 WeakPolarHBondContact CG2-OD1 3.49Å; I133-N135 PolarHBondContact O-N 2.94Å; N135-H137 PolarHBondContact O-N 3.42Å |
| 136 | F | 60.2 | Low | 56 | Low | 171 Ų | 171 | 130.8 Ų | 130.8 | 75% | 0.75 | 70% | 0.702 | S | S | * | * | | | trans | -53 | 117.5 | 165.4 | -70.5 | -80.3 | 0 | 0 | 0 | 103.3 | R134 T138 | R134-F136 WeakPolarHBondContact O-CD2 3.13Å; R134-F136 PolarHBondContact O-N 3.28Å; F136-T138 HydrophobicContact CB-CG2 4.43Å; F136-T138 PolarHBondContact O-N 3.15Å |
| 137 | H | 51.6 | Low | 56.9 | Low | 190 Ų | 190 | 129.3 Ų | 129.3 | 88% | 0.88 | 69% | 0.688 | S | S | * | * | | | trans | -62.9 | 78 | 163 | -67.1 | -76.7 | 0 | 0 | 0 | 105.9 | N135 S139 | N135-H137 PolarHBondContact O-N 3.42Å; H137-S139 PolarHBondContact O-N 2.9Å |
| 138 | T | 61.7 | Low | 58.1 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | | | trans | -66.7 | 90.9 | 156.8 | 43.6 | 0 | 0 | 0 | 0 | 103.3 | F136 | F136-T138 HydrophobicContact CB-CG2 4.43Å; F136-T138 PolarHBondContact O-N 3.15Å |
| 139 | S | 63.1 | Low | 59.3 | Low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | | | trans | -42.7 | 138.3 | 164.6 | 48.4 | 0 | 0 | 0 | 0 | 107.4 | H137 R141 | H137-S139 PolarHBondContact O-N 2.9Å; S139-R141 PolarHBondContact O-N 3.17Å |
| 140 | P | 58.3 | Low | 60.7 | Low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | | | trans | -49.6 | 121.2 | -178.6 | 19.2 | -30 | 0 | 0 | 0 | 106.2 | F142 | P140-F142 PolarHBondContact O-N 2.89Š|
| 141 | R | 54.8 | Low | 62.1 | Low | 239 Ų | 239 | 127.7 Ų | 127.7 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | | | trans | -56 | 100.5 | 171.1 | -75.3 | -175.6 | 177.8 | 169.1 | 0.5 | 103.3 | S139 Q143 | S139-R141 PolarHBondContact O-N 3.17Å; R141-Q143 PolarHBondContact O-N 3.32Å |
| 142 | F | 55.7 | Low | 63.3 | Low | 186 Ų | 186 | 124.4 Ų | 124.4 | 82% | 0.816 | 66% | 0.655 | S | S | * | * | | | trans | -47.6 | 104.7 | 178.6 | -173.2 | -98.3 | 0 | 0 | 0 | 103.1 | P140 A144 | P140-F142 PolarHBondContact O-N 2.89Å; F142-A144 VanDerWaalsContact C-N 3.29Å; F142-A144 PolarHBondContact O-N 3.46Å |
| 143 | Q | 57.8 | Low | 64.7 | Low | 177 Ų | 177 | 125.7 Ų | 125.7 | 83% | 0.827 | 65% | 0.651 | S | S | * | * | | | trans | -51.3 | 110.5 | -179.3 | -74.5 | 173 | -25.5 | 0 | 0 | 102 | R141 A145 | R141-Q143 PolarHBondContact O-N 3.32Å; Q143-A145 WeakPolarHBondContact O-CA 3.15Å; Q143-A145 PolarHBondContact O-N 3.25Å |
| 144 | A | 59.8 | Low | 66.1 | Low | 85 Ų | 85 | 125 Ų | 125 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | | | trans | -58.5 | 101.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 102.9 | F142 | F142-A144 VanDerWaalsContact C-N 3.29Å; F142-A144 PolarHBondContact O-N 3.46Å |
| 145 | A | 61.5 | Low | 67.3 | Low | 33 Ų | 33 | 122.5 Ų | 122.5 | 27% | 0.273 | 64% | 0.642 | S | S | . | * | | | trans | -55 | 153.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q143 V147 P148 | Q143-A145 WeakPolarHBondContact O-CA 3.15Å; Q143-A145 PolarHBondContact O-N 3.25Å; A145-V147 HydrophobicContact CB-CB 4.16Å; A145-V147 HydrophobicContact CB-CG2 3.89Å; A145-V147 PolarHBondContact O-N 3.19Å; A145-P148 WeakPolarHBondContact O-CD 3.15Å; A145-P148 WeakPolarHBondContact O-CG 3.18Å |
| 146 | P | 63 | Low | 68.6 | Low | 96 Ų | 96 | 119.8 Ų | 119.8 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -56.5 | -9.9 | 172.8 | 22.1 | -32.5 | 0 | 0 | 0 | 112.9 | L149 L150 | P146-L149 PolarHBondContact O-N 3.11Å; P146-L150 WeakPolarHBondContact O-CG 3.4Å; P146-L150 PolarHBondContact O-N 3.39Å; P146-L150 VanDerWaalsContact O-N 3.09Å |
| 147 | V | 68.6 | Low | 70 | Confident | 79 Ų | 79 | 114.3 Ų | 114.3 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.6 | -52.4 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 114.2 | A145 L149 L150 L151 | A145-V147 HydrophobicContact CB-CB 4.16Å; A145-V147 HydrophobicContact CB-CG2 3.89Å; A145-V147 PolarHBondContact O-N 3.19Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 3.06Å; V147-L150 PolarHBondContact O-N 3.42Å; V147-L151 HydrophobicContact CG1-CD1 4.05Å; V147-L151 HydrophobicContact CG1-CG 4.36Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.41Å |
| 148 | P | 72.5 | Confident | 71.6 | Confident | 73 Ų | 73 | 111 Ų | 111 | 47% | 0.474 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -54.4 | -35.7 | 173.2 | 12.1 | -31.1 | 0 | 0 | 0 | 114.7 | A145 M152 | A145-P148 WeakPolarHBondContact O-CD 3.15Å; A145-P148 WeakPolarHBondContact O-CG 3.18Å; P148-M152 WeakPolarHBondContact O-CB 3.48Å; P148-M152 PolarHBondContact O-N 3.29Å |
| 149 | L | 74.4 | Confident | 72.9 | Confident | 108 Ų | 108 | 112.4 Ų | 112.4 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.3 | -42.6 | 176.4 | -71.1 | 170.7 | 0 | 0 | 0 | 111.6 | P146 V147 L151 M152 I153 | P146-L149 PolarHBondContact O-N 3.11Å; V147-L149 VanDerWaalsContact C-N 3.26Å; V147-L149 PolarHBondContact O-N 3.06Å; L149-L151 VanDerWaalsContact C-N 3.35Å; L149-L151 PolarHBondContact O-N 2.89Å; L149-M152 HydrophobicContact CD2-CE 4.06Å; L149-M152 WeakPolarHBondContact O-CB 3.39Å; L149-M152 PolarHBondContact O-N 3.09Å; L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.17Å; L149-I153 VanDerWaalsContact O-N 3.17Å |
| 150 | L | 79.1 | Confident | 74.1 | Confident | 113 Ų | 113 | 112.6 Ų | 112.6 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.4 | -42.9 | 175 | -70.4 | 168.6 | 0 | 0 | 0 | 111.5 | P146 V147 M152 I153 L154 | P146-L150 WeakPolarHBondContact O-CG 3.4Å; P146-L150 PolarHBondContact O-N 3.39Å; P146-L150 VanDerWaalsContact O-N 3.09Å; V147-L150 PolarHBondContact O-N 3.42Å; L150-M152 VanDerWaalsContact C-N 3.33Å; L150-M152 PolarHBondContact O-N 3.23Å; L150-I153 PolarHBondContact O-N 3.42Å; L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.44Å; L150-L154 PolarHBondContact O-N 3.2Å |
| 151 | L | 79.5 | Confident | 75.6 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -34.3 | 176.7 | -68.4 | 175 | 0 | 0 | 0 | 112.5 | V147 L149 I153 L154 K155 | V147-L151 HydrophobicContact CG1-CD1 4.05Å; V147-L151 HydrophobicContact CG1-CG 4.36Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.41Å; L149-L151 VanDerWaalsContact C-N 3.35Å; L149-L151 PolarHBondContact O-N 2.89Å; L151-I153 VanDerWaalsContact C-N 3.26Å; L151-I153 PolarHBondContact O-N 3.47Å; L151-L154 PolarHBondContact O-N 3.48Å; L151-K155 VanDerWaalsContact O-CG 3.3Å; L151-K155 WeakPolarHBondContact O-CG 3.16Å; L151-K155 PolarHBondContact O-N 2.91Å |
| 152 | M | 81 | Confident | 77.1 | Confident | 122 Ų | 122 | 104.9 Ų | 104.9 | 60% | 0.601 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.5 | -30.3 | 174.9 | -170.1 | 177.8 | 76.2 | 0 | 0 | 112.4 | P148 L149 L150 P156 | P148-M152 WeakPolarHBondContact O-CB 3.48Å; P148-M152 PolarHBondContact O-N 3.29Å; L149-M152 HydrophobicContact CD2-CE 4.06Å; L149-M152 WeakPolarHBondContact O-CB 3.39Å; L149-M152 PolarHBondContact O-N 3.09Å; L150-M152 VanDerWaalsContact C-N 3.33Å; L150-M152 PolarHBondContact O-N 3.23Å; M152-P156 WeakPolarHBondContact O-CD 3.34Å; M152-P156 WeakPolarHBondContact O-CG 3.41Å |
| 153 | I | 83.9 | Confident | 78.5 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -88.8 | -36.5 | 177.2 | -60.7 | 163.9 | 0 | 0 | 0 | 111.4 | L149 L150 L151 K155 P156 V157 | L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.17Å; L149-I153 VanDerWaalsContact O-N 3.17Å; L150-I153 PolarHBondContact O-N 3.42Å; L151-I153 VanDerWaalsContact C-N 3.26Å; L151-I153 PolarHBondContact O-N 3.47Å; I153-K155 PolarHBondContact O-N 3.25Å; I153-P156 WeakPolarHBondContact O-CD 3.19Å; I153-P156 WeakPolarHBondContact O-CG 3.12Å; I153-V157 HydrophobicContact CG2-CG2 4.05Å; I153-V157 WeakPolarHBondContact O-CB 3.45Å; I153-V157 WeakPolarHBondContact O-CG2 3.45Å; I153-V157 PolarHBondContact O-N 2.98Å; I153-V157 VanDerWaalsContact O-N 3.15Å |
| 154 | L | 86.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | -177 | -168.7 | 63.1 | 0 | 0 | 0 | 112.5 | L150 L151 V157 Q158 | L150-L154 VanDerWaalsContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CB 3.44Å; L150-L154 PolarHBondContact O-N 3.2Å; L151-L154 PolarHBondContact O-N 3.48Å; L154-V157 PolarHBondContact O-N 2.84Å; L154-Q158 WeakPolarHBondContact O-CG 3.42Å; L154-Q158 PolarHBondContact O-N 3.17Å; L154-Q158 VanDerWaalsContact O-N 3.11Å |
| 155 | K | 84.2 | Confident | 81.2 | Confident | 153 Ų | 153 | 95.9 Ų | 95.9 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.2 | -52.8 | 176.6 | -72.5 | -85.4 | 179.3 | 174.6 | 0 | 113.4 | L151 I153 K159 | L151-K155 VanDerWaalsContact O-CG 3.3Å; L151-K155 WeakPolarHBondContact O-CG 3.16Å; L151-K155 PolarHBondContact O-N 2.91Å; I153-K155 PolarHBondContact O-N 3.25Å; K155-K159 PolarHBondContact O-N 3.27Å |
| 156 | P | 83.7 | Confident | 82.3 | Confident | 70 Ų | 70 | 96.6 Ų | 96.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.8 | -30.7 | 177.5 | 24.7 | -33.3 | 0 | 0 | 0 | 113 | M152 I153 K159 L160 | M152-P156 WeakPolarHBondContact O-CD 3.34Å; M152-P156 WeakPolarHBondContact O-CG 3.41Å; I153-P156 WeakPolarHBondContact O-CD 3.19Å; I153-P156 WeakPolarHBondContact O-CG 3.12Å; P156-K159 PolarHBondContact O-N 3.49Å; P156-L160 WeakPolarHBondContact O-CB 3.3Å; P156-L160 PolarHBondContact O-N 3.26Å |
| 157 | V | 89.5 | Confident | 83.1 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.339 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 175.7 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | I153 L154 K159 L160 F161 | I153-V157 HydrophobicContact CG2-CG2 4.05Å; I153-V157 WeakPolarHBondContact O-CB 3.45Å; I153-V157 WeakPolarHBondContact O-CG2 3.45Å; I153-V157 PolarHBondContact O-N 2.98Å; I153-V157 VanDerWaalsContact O-N 3.15Å; L154-V157 PolarHBondContact O-N 2.84Å; V157-K159 VanDerWaalsContact C-N 3.28Å; V157-K159 PolarHBondContact O-N 3.19Å; V157-L160 PolarHBondContact O-N 3.16Å; V157-L160 VanDerWaalsContact O-N 3.17Å; V157-F161 HydrophobicContact CG1-CD2 3.65Å; V157-F161 HydrophobicContact CG1-CE2 3.76Å; V157-F161 WeakPolarHBondContact O-CD2 3.42Å; V157-F161 PolarHBondContact O-N 2.65Å |
| 158 | Q | 86 | Confident | 83.7 | Confident | 121 Ų | 121 | 99.5 Ų | 99.5 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 176.1 | -72 | 175.2 | -28.8 | 0 | 0 | 112.4 | L154 A162 | L154-Q158 WeakPolarHBondContact O-CG 3.42Å; L154-Q158 PolarHBondContact O-N 3.17Å; L154-Q158 VanDerWaalsContact O-N 3.11Å; Q158-A162 PolarHBondContact O-N 3.15Å |
| 159 | K | 87.7 | Confident | 84.1 | Confident | 151 Ų | 151 | 100.3 Ų | 100.3 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 177.5 | -168.6 | 172.2 | -176.7 | 176 | 0 | 112.1 | K155 P156 V157 A162 I163 | K155-K159 PolarHBondContact O-N 3.27Å; P156-K159 PolarHBondContact O-N 3.49Å; V157-K159 VanDerWaalsContact C-N 3.28Å; V157-K159 PolarHBondContact O-N 3.19Å; K159-A162 PolarHBondContact O-N 3.12Å; K159-I163 HydrophobicContact CG-CD1 4.36Å; K159-I163 WeakPolarHBondContact O-CG1 3.3Å; K159-I163 PolarHBondContact O-N 3.19Å |
| 160 | L | 88.5 | Confident | 84.3 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 177.9 | -177.5 | 63.1 | 0 | 0 | 0 | 111.2 | P156 V157 A162 I163 I164 | P156-L160 WeakPolarHBondContact O-CB 3.3Å; P156-L160 PolarHBondContact O-N 3.26Å; V157-L160 PolarHBondContact O-N 3.16Å; V157-L160 VanDerWaalsContact O-N 3.17Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 3.19Å; L160-I163 PolarHBondContact O-N 2.82Å; L160-I163 VanDerWaalsContact O-N 3.16Å; L160-I164 HydrophobicContact CD1-CD1 3.93Å; L160-I164 HydrophobicContact CD1-CG1 4.22Å; L160-I164 HydrophobicContact CD2-CD1 4.33Å; L160-I164 HydrophobicContact CG-CD1 3.73Å; L160-I164 HydrophobicContact CG-CG1 4.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 2.72Å |
| 161 | F | 89.9 | Confident | 84.3 | Confident | 129 Ų | 129 | 106 Ų | 106 | 57% | 0.566 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.5 | -45 | 174.1 | -93 | -85.7 | 0 | 0 | 0 | 111.3 | V157 I163 I164 V165 | V157-F161 HydrophobicContact CG1-CD2 3.65Å; V157-F161 HydrophobicContact CG1-CE2 3.76Å; V157-F161 WeakPolarHBondContact O-CD2 3.42Å; V157-F161 PolarHBondContact O-N 2.65Å; F161-I163 PolarHBondContact O-N 3.27Å; F161-I164 PolarHBondContact O-N 2.76Å; F161-V165 HydrophobicContact CD1-CG2 4.34Å; F161-V165 WeakPolarHBondContact O-CB 2.93Å; F161-V165 WeakPolarHBondContact O-CG2 3.22Å; F161-V165 PolarHBondContact O-N 3.3Å |
| 162 | A | 87.8 | Confident | 84.3 | Confident | 67 Ų | 67 | 109 Ų | 109 | 55% | 0.554 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.1 | -36.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q158 K159 L160 G166 | Q158-A162 PolarHBondContact O-N 3.15Å; K159-A162 PolarHBondContact O-N 3.12Å; L160-A162 VanDerWaalsContact C-N 3.34Å; L160-A162 PolarHBondContact O-N 3.19Å; A162-G166 WeakPolarHBondContact O-CA 3.4Å; A162-G166 PolarHBondContact O-N 3.26Å |
| 163 | I | 84.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -75.6 | -45.4 | 178.9 | -65.3 | 165.7 | 0 | 0 | 0 | 111.5 | K159 L160 F161 R167 | K159-I163 HydrophobicContact CG-CD1 4.36Å; K159-I163 WeakPolarHBondContact O-CG1 3.3Å; K159-I163 PolarHBondContact O-N 3.19Å; L160-I163 PolarHBondContact O-N 2.82Å; L160-I163 VanDerWaalsContact O-N 3.16Å; F161-I163 PolarHBondContact O-N 3.27Å; I163-R167 WeakPolarHBondContact O-CB 3.46Å; I163-R167 PolarHBondContact O-N 3.4Å |
| 164 | I | 86.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 111.7 Ų | 111.7 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 179.6 | -66.8 | 172.8 | 0 | 0 | 0 | 110.1 | L160 F161 G168 | L160-I164 HydrophobicContact CD1-CD1 3.93Å; L160-I164 HydrophobicContact CD1-CG1 4.22Å; L160-I164 HydrophobicContact CD2-CD1 4.33Å; L160-I164 HydrophobicContact CG-CD1 3.73Å; L160-I164 HydrophobicContact CG-CG1 4.36Å; L160-I164 WeakPolarHBondContact O-CG1 3.45Å; L160-I164 PolarHBondContact O-N 2.72Å; F161-I164 PolarHBondContact O-N 2.76Å; I164-G168 WeakPolarHBondContact O-CA 3.08Å; I164-G168 PolarHBondContact O-N 3.18Å |
| 165 | V | 87.9 | Confident | 83.3 | Confident | 67 Ų | 67 | 111 Ų | 111 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.6 | -46 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 110 | F161 R167 I169 | F161-V165 HydrophobicContact CD1-CG2 4.34Å; F161-V165 WeakPolarHBondContact O-CB 2.93Å; F161-V165 WeakPolarHBondContact O-CG2 3.22Å; F161-V165 PolarHBondContact O-N 3.3Å; V165-R167 PolarHBondContact O-N 2.67Å; V165-I169 HydrophobicContact CG1-CD1 3.33Å; V165-I169 HydrophobicContact CG1-CG1 4.01Å; V165-I169 WeakPolarHBondContact O-CB 3.34Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 3.38Å |
| 166 | G | 83.4 | Confident | 82.9 | Confident | 48 Ų | 48 | 106 Ų | 106 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -46.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A162 R170 | A162-G166 WeakPolarHBondContact O-CA 3.4Å; A162-G166 PolarHBondContact O-N 3.26Å; G166-R170 WeakPolarHBondContact O-CB 3.23Å |
| 167 | R | 79.7 | Confident | 82.5 | Confident | 198 Ų | 198 | 106.6 Ų | 106.6 | 75% | 0.747 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -80.7 | -36.2 | 178.7 | -68.4 | -168 | 173.5 | -161.9 | -0.5 | 113 | I163 V165 R170 K171 | I163-R167 WeakPolarHBondContact O-CB 3.46Å; I163-R167 PolarHBondContact O-N 3.4Å; V165-R167 PolarHBondContact O-N 2.67Å; R167-R170 PolarHBondContact O-N 2.93Å; R167-K171 WeakPolarHBondContact O-CG 2.94Å; R167-K171 PolarHBondContact O-N 3.31Å; R167-K171 VanDerWaalsContact O-N 3.09Å |
| 168 | G | 82.6 | Confident | 81.3 | Confident | 38 Ų | 38 | 108.8 Ų | 108.8 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -46.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I164 R170 K171 W172 | I164-G168 WeakPolarHBondContact O-CA 3.08Å; I164-G168 PolarHBondContact O-N 3.18Å; G168-R170 VanDerWaalsContact C-N 3.3Å; G168-R170 PolarHBondContact O-N 3.29Å; G168-K171 PolarHBondContact O-N 3.49Å; G168-W172 VanDerWaalsContact O-CB 3.3Å; G168-W172 WeakPolarHBondContact O-CB 3.27Å; G168-W172 PolarHBondContact O-N 2.97Å |
| 169 | I | 80 | Confident | 80.1 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.8 | -41.5 | 173.9 | -67.1 | 178.5 | 0 | 0 | 0 | 110 | V165 K171 W172 W173 | V165-I169 HydrophobicContact CG1-CD1 3.33Å; V165-I169 HydrophobicContact CG1-CG1 4.01Å; V165-I169 WeakPolarHBondContact O-CB 3.34Å; V165-I169 WeakPolarHBondContact O-CG1 3.34Å; V165-I169 PolarHBondContact O-N 3.38Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.89Å; I169-W172 PolarHBondContact O-N 3.2Å; I169-W173 VanDerWaalsContact O-CB 3.26Å; I169-W173 WeakPolarHBondContact O-CB 2.98Å; I169-W173 PolarHBondContact O-N 2.73Å |
| 170 | R | 79.3 | Confident | 78.6 | Confident | 180 Ų | 180 | 111.3 Ų | 111.3 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.6 | -39 | 178.7 | -169.8 | 172.1 | -174 | -113 | 0.8 | 112.4 | G166 R167 G168 Q174 | G166-R170 WeakPolarHBondContact O-CB 3.23Å; R167-R170 PolarHBondContact O-N 2.93Å; G168-R170 VanDerWaalsContact C-N 3.3Å; G168-R170 PolarHBondContact O-N 3.29Å; R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-N 3.07Å |
| 171 | K | 78.1 | Confident | 77.1 | Confident | 162 Ų | 162 | 111.8 Ų | 111.8 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.5 | -39.2 | 176.2 | -72.9 | -68.5 | -174.2 | 177.3 | 0 | 112.2 | R167 G168 I169 W173 Q174 A175 | R167-K171 WeakPolarHBondContact O-CG 2.94Å; R167-K171 PolarHBondContact O-N 3.31Å; R167-K171 VanDerWaalsContact O-N 3.09Å; G168-K171 PolarHBondContact O-N 3.49Å; I169-K171 VanDerWaalsContact C-N 3.31Å; I169-K171 PolarHBondContact O-N 2.89Å; K171-W173 VanDerWaalsContact C-N 3.35Å; K171-Q174 PolarHBondContact O-N 2.68Å; K171-A175 WeakPolarHBondContact O-CB 3.32Å; K171-A175 PolarHBondContact O-N 2.66Å |
| 172 | W | 80.3 | Confident | 75.5 | Confident | 157 Ų | 157 | 114.2 Ų | 114.2 | 60% | 0.595 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.5 | -41.7 | 174.8 | -177 | 74 | 0 | 0 | 0 | 111.9 | G168 I169 Q174 A175 L176 | G168-W172 VanDerWaalsContact O-CB 3.3Å; G168-W172 WeakPolarHBondContact O-CB 3.27Å; G168-W172 PolarHBondContact O-N 2.97Å; I169-W172 PolarHBondContact O-N 3.2Å; W172-Q174 PolarHBondContact O-N 3.15Å; W172-A175 PolarHBondContact O-N 2.87Å; W172-L176 HydrophobicContact CZ2-CD1 4.34Å; W172-L176 PolarHBondContact O-N 2.69Å |
| 173 | W | 78.5 | Confident | 74 | Confident | 148 Ų | 148 | 121 Ų | 121 | 56% | 0.561 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67 | -34.9 | 177 | -153.5 | -113.7 | 0 | 0 | 0 | 113.2 | I169 K171 L176 | I169-W173 VanDerWaalsContact O-CB 3.26Å; I169-W173 WeakPolarHBondContact O-CB 2.98Å; I169-W173 PolarHBondContact O-N 2.73Å; K171-W173 VanDerWaalsContact C-N 3.35Å; W173-L176 HydrophobicContact CZ3-CD2 4.38Å; W173-L176 WeakPolarHBondContact O-CB 3.38Å; W173-L176 PolarHBondContact O-N 3.3Å |
| 174 | Q | 74.2 | Confident | 73.5 | Confident | 131 Ų | 131 | 122.5 Ų | 122.5 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.9 | -28.8 | 175.5 | -69.3 | -69 | 0.2 | 0 | 0 | 112.6 | R170 K171 W172 L176 | R170-Q174 WeakPolarHBondContact O-CG 3.18Å; R170-Q174 PolarHBondContact O-N 3.07Å; K171-Q174 PolarHBondContact O-N 2.68Å; W172-Q174 PolarHBondContact O-N 3.15Å; Q174-L176 PolarHBondContact O-N 2.91Å |
| 175 | A | 77.4 | Confident | 72.8 | Confident | 77 Ų | 77 | 123.6 Ų | 123.6 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -4.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K171 W172 P177 | K171-A175 WeakPolarHBondContact O-CB 3.32Å; K171-A175 PolarHBondContact O-N 2.66Å; W172-A175 PolarHBondContact O-N 2.87Å; A175-P177 WeakPolarHBondContact O-CD 3.24Å |
| 176 | L | 76.2 | Confident | 72 | Confident | 47 Ų | 47 | 126.8 Ų | 126.8 | 25% | 0.246 | 64% | 0.637 | C | S | . | * | S | Bend | trans | -69.4 | 120.3 | 176.2 | -139 | 79.7 | 0 | 0 | 0 | 109.2 | W172 W173 Q174 K181 | W172-L176 HydrophobicContact CZ2-CD1 4.34Å; W172-L176 PolarHBondContact O-N 2.69Å; W173-L176 HydrophobicContact CZ3-CD2 4.38Å; W173-L176 WeakPolarHBondContact O-CB 3.38Å; W173-L176 PolarHBondContact O-N 3.3Å; Q174-L176 PolarHBondContact O-N 2.91Å; L176-K181 WeakPolarHBondContact O-CE 3.35Å; L176-K181 PolarHBondContact O-NZ 2.77Å |
| 177 | P | 75 | Confident | 71.3 | Confident | 82 Ų | 82 | 131.4 Ų | 131.4 | 53% | 0.532 | 65% | 0.645 | S | S | . | * | | | trans | -54 | 136.7 | 179 | -23.7 | 32.3 | 0 | 0 | 0 | 110.4 | A175 N179 K180 | A175-P177 WeakPolarHBondContact O-CD 3.24Å; P177-N179 PolarHBondContact O-N 3.43Å; P177-K180 PolarHBondContact O-N 2.79Å |
| 178 | P | 63.8 | Low | 70.8 | Confident | 102 Ų | 102 | 127.3 Ų | 127.3 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -59.9 | -18.2 | 179.9 | 23.5 | -32.3 | 0 | 0 | 0 | 113 | K180 K181 | P178-K180 PolarHBondContact O-N 3.4Å; P178-K181 PolarHBondContact O-N 3.09Å; P178-K181 VanDerWaalsContact O-N 3.11Å |
| 179 | N | 61.4 | Low | 70 | Confident | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -70.5 | 15.6 | 179.9 | -154.8 | -9.6 | 0 | 0 | 0 | 115.1 | P177 | P177-N179 PolarHBondContact O-N 3.43Š|
| 180 | K | 56.5 | Low | 69.3 | Low | 174 Ų | 174 | 136.3 Ų | 136.3 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -140.2 | 12.3 | 170.7 | -60.1 | -161.1 | 178.7 | -161.6 | 0 | 113.1 | P177 P178 E182 | P177-K180 PolarHBondContact O-N 2.79Å; P178-K180 PolarHBondContact O-N 3.4Å; K180-E182 VanDerWaalsContact C-N 3.34Å |
| 181 | K | 56.9 | Low | 68.5 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 47% | 0.47 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -94.3 | 4.7 | -178.4 | -63.6 | -176.6 | -176.6 | 173.3 | 0 | 113 | L176 P178 | L176-K181 WeakPolarHBondContact O-CE 3.35Å; L176-K181 PolarHBondContact O-NZ 2.77Å; P178-K181 PolarHBondContact O-N 3.09Å; P178-K181 VanDerWaalsContact O-N 3.11Å |
| 182 | E | 56.9 | Low | 67.7 | Low | 181 Ų | 181 | 130.5 Ų | 130.5 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | | | trans | -117.6 | 94.3 | 176.8 | -61.3 | -179.7 | -162.4 | 0 | 0 | 107.1 | K180 | K180-E182 VanDerWaalsContact C-N 3.34Š|
| 183 | V | 56 | Low | 66.6 | Low | 208 Ų | 208 | 128.1 Ų | 128.1 | 100% | 1.261 | 67% | 0.672 | S | S | * | * | | | trans | -131 | 0 | 159.4 | -178.2 | 0 | 0 | 0 | 0 | 106.2 | | |