| 1 | S | 35.8 | Very low | 46.9 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 100% | 1.21 | 84% | 0.839 | S | S | * | * | | | | 0 | 144.6 | 0 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 2 | P | 48.4 | Very low | 47.2 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 77% | 0.766 | 84% | 0.841 | S | S | * | * | | | cis | -134.2 | 179.3 | -41.6 | 33 | -14.6 | 0 | 0 | 0 | 112.6 | | |
| 3 | S | 46.4 | Very low | 46.8 | Very low | 114 Ų | 114 | 148.2 Ų | 148.2 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | | | trans | 69.8 | 82.7 | 153.2 | 48.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 4 | I | 51.3 | Low | 46.4 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -86.3 | 148.2 | 152.5 | -59.2 | 172.2 | 0 | 0 | 0 | 108.1 | | |
| 5 | M | 41.7 | Very low | 46 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | 91.7 | 89.9 | 154.9 | -94 | 150.5 | 172.6 | 0 | 0 | 118.5 | | |
| 6 | E | 55.1 | Low | 46.1 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | | | | -31 | 126.4 | 125 | -62.3 | 161.9 | 111.1 | 0 | 0 | 112 | | |
| 7 | S | 48.1 | Very low | 45.6 | Very low | 101 Ų | 101 | 146.9 Ų | 146.9 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | trans | 179.9 | 145.3 | 144.6 | -166.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 8 | L | 45.4 | Very low | 45.4 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | 95.6 | 23 | 165.1 | -44 | -176.3 | 0 | 0 | 0 | 119.1 | | |
| 9 | S | 45.4 | Very low | 45.3 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -82.5 | 5.5 | 159.2 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 10 | E | 49.9 | Very low | 44.5 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | | | trans | -115.5 | 49.3 | -177.3 | -71.4 | -153.6 | 122.9 | 0 | 0 | 114.2 | | |
| 11 | L | 48 | Very low | 44.4 | Very low | 140 Ų | 140 | 149.7 Ų | 149.7 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | | | trans | -136.9 | 44.5 | 154.9 | -140.7 | 77.4 | 0 | 0 | 0 | 111.6 | N13 | L11-N13 PolarHBondContact O-N 3.23Š|
| 12 | Q | 50.5 | Low | 44.3 | Very low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -68.7 | 80.6 | 160.1 | -168.4 | 94.3 | 11.3 | 0 | 0 | 107.6 | | |
| 13 | N | 41.9 | Very low | 43.9 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 66% | 0.658 | 80% | 0.8 | S | S | * | * | | | trans | -66.6 | 148.8 | -177.5 | -86.2 | -42.1 | 0 | 0 | 0 | 112.5 | L11 | L11-N13 PolarHBondContact O-N 3.23Š|
| 14 | P | 42 | Very low | 43.5 | Very low | 112 Ų | 112 | 149.6 Ų | 149.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -101.7 | 162.7 | -148.5 | 17.1 | 3.7 | 0 | 0 | 0 | 112.4 | | |
| 15 | L | 40.3 | Very low | 42.8 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -39.8 | 138.6 | 173 | -63.1 | 164.3 | 0 | 0 | 0 | 114.6 | | |
| 16 | L | 48 | Very low | 42.4 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | 27.9 | 108.9 | 133.4 | -83.1 | 143.6 | 0 | 0 | 0 | 116.2 | | |
| 17 | D | 37.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -137.8 | 125.8 | 147.2 | -137.3 | -9.2 | 0 | 0 | 0 | 114.3 | | |
| 18 | K | 41 | Very low | 41.2 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | 18.9 | 121.7 | 156.1 | -78.4 | 167 | 179.9 | 138.5 | 0 | 122.4 | | |
| 19 | T | 43.2 | Very low | 40.9 | Very low | 133 Ų | 133 | 153.6 Ų | 153.6 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | | 23.2 | 111.4 | 120.2 | -50.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 20 | S | 30.5 | Very low | 40.3 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -137.7 | 126.9 | 146.7 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 21 | R | 40.9 | Very low | 39.7 | Very low | 219 Ų | 219 | 153.8 Ų | 153.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | | | trans | -68.3 | 134.2 | 179.1 | -63.3 | 171.8 | -78.8 | 179 | -4.6 | 109.4 | | |
| 22 | H | 35.6 | Very low | 39 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -149 | 111.2 | 143.1 | -106.9 | -81.6 | 0 | 0 | 0 | 109.8 | | |
| 23 | A | 39.9 | Very low | 38 | Very low | 95 Ų | 95 | 151.8 Ų | 151.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 123.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 24 | V | 36.3 | Very low | 37.6 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -139.8 | 105.9 | 149.4 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 25 | Q | 37.2 | Very low | 37.4 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | -51.6 | 129.7 | 160.2 | -178.5 | 178.8 | 0.9 | 0 | 0 | 110 | D27 | Q25-D27 PolarHBondContact NE2-OD2 2.79Š|
| 26 | N | 33.5 | Very low | 37.3 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -147.9 | 104.4 | 152.6 | -93.9 | -46.9 | 0 | 0 | 0 | 108.8 | Y28 | N26-Y28 PolarHBondContact O-N 3.1Š|
| 27 | D | 38.9 | Very low | 36.7 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 111.3 | 168 | -67.2 | -67.4 | 0 | 0 | 0 | 110 | Q25 | Q25-D27 PolarHBondContact NE2-OD2 2.79Š|
| 28 | Y | 38.4 | Very low | 36.9 | Very low | 230 Ų | 230 | 154.8 Ų | 154.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -146.9 | 98.9 | 150.3 | -100.3 | -79.3 | 0 | 0 | 0 | 109 | N26 G30 | N26-Y28 PolarHBondContact O-N 3.1Å; Y28-G30 PolarHBondContact O-N 3.35Å |
| 29 | Q | 40.3 | Very low | 37.1 | Very low | 201 Ų | 201 | 152 Ų | 152 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | | | trans | -77 | 105.8 | 175.5 | -169 | 145.2 | -2.7 | 0 | 0 | 109 | | |
| 30 | G | 32.9 | Very low | 37.1 | Very low | 66 Ų | 66 | 155.1 Ų | 155.1 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | -126.4 | 103.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y28 Q32 | Y28-G30 PolarHBondContact O-N 3.35Å; G30-Q32 PolarHBondContact O-N 3.34Å |
| 31 | Y | 37.5 | Very low | 37.6 | Very low | 235 Ų | 235 | 155.5 Ų | 155.5 | 92% | 0.922 | 78% | 0.781 | S | S | * | * | | | trans | 15.1 | 96.5 | 162.3 | -78.5 | -93.1 | 0 | 0 | 0 | 117.5 | | |
| 32 | Q | 31.9 | Very low | 37.6 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -86.6 | 104.1 | 166.4 | -165.6 | 173.2 | 22.9 | 0 | 0 | 108.7 | G30 | G30-Q32 PolarHBondContact O-N 3.34Š|
| 33 | C | 30.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 146.3 Ų | 146.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | -94.7 | 101.7 | 160.9 | -90.4 | 0 | 0 | 0 | 0 | 107.7 | Y35 | C33-Y35 PolarHBondContact O-N 3.31Š|
| 34 | D | 33.9 | Very low | 39 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -65.1 | 109.8 | 167.4 | -83.4 | -51.6 | 0 | 0 | 0 | 110 | | |
| 35 | Y | 37.6 | Very low | 39.5 | Very low | 200 Ų | 200 | 144.6 Ų | 144.6 | 78% | 0.784 | 73% | 0.734 | S | S | * | * | | | trans | -135 | 100.5 | 153.8 | -93.1 | -80.1 | 0 | 0 | 0 | 108.5 | C33 N37 | C33-Y35 PolarHBondContact O-N 3.31Å; Y35-N37 PolarHBondContact O-N 3.45Å; Y35-N37 VanDerWaalsContact O-N 3.07Å; Y35-N37 PolarHBondContact O-ND2 2.81Å; Y35-N37 VanDerWaalsContact O-ND2 3.12Å |
| 36 | S | 38.6 | Very low | 39.9 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | | | trans | -48.8 | 107.1 | 168.1 | 52 | 0 | 0 | 0 | 0 | 110.8 | | |
| 37 | N | 34.4 | Very low | 40.7 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | trans | -110.8 | 138.1 | 172.3 | -85.8 | -86.1 | 0 | 0 | 0 | 110.5 | Y35 | Y35-N37 PolarHBondContact O-N 3.45Å; Y35-N37 VanDerWaalsContact O-N 3.07Å; Y35-N37 PolarHBondContact O-ND2 2.81Å; Y35-N37 VanDerWaalsContact O-ND2 3.12Å |
| 38 | Q | 42.7 | Very low | 41.2 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | | | trans | -56.1 | 153.1 | -173.5 | -75.9 | 158.7 | -81.8 | 0 | 0 | 114.3 | Y40 | Q38-Y40 PolarHBondContact O-N 3.01Š|
| 39 | P | 44.2 | Very low | 41.4 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 30.2 | -170.9 | 31.6 | -37.8 | 0 | 0 | 0 | 115.5 | | |
| 40 | Y | 42.3 | Very low | 41.5 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -7.5 | -175 | -123.8 | -89.2 | 0 | 0 | 0 | 114.4 | Q38 | Q38-Y40 PolarHBondContact O-N 3.01Š|
| 41 | Q | 41.4 | Very low | 41.9 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 58% | 0.584 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -89.6 | -21.4 | 179.5 | -77.7 | -77.3 | -44.9 | 0 | 0 | 113.2 | S43 L44 I45 | Q41-S43 PolarHBondContact O-N 3.36Å; Q41-L44 PolarHBondContact O-N 3.35Å; Q41-I45 HydrophobicContact CB-CD1 4.45Å; Q41-I45 WeakPolarHBondContact O-CD1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.18Å; Q41-I45 PolarHBondContact O-N 3.46Å |
| 42 | D | 42.5 | Very low | 42.1 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71.3 | -32.9 | -173.5 | -68.6 | -25.2 | 0 | 0 | 0 | 113.3 | L44 I45 D46 | D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.46Å; D42-I45 PolarHBondContact O-N 2.74Å; D42-D46 PolarHBondContact O-N 3.35Å |
| 43 | S | 51.6 | Low | 42.5 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.4 | -24.6 | -178.7 | 96.5 | 0 | 0 | 0 | 0 | 113.4 | Q41 | Q41-S43 PolarHBondContact O-N 3.36Å |
| 44 | L | 52.2 | Low | 42.8 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -78.8 | -38.1 | 177.2 | -97.7 | 157.6 | 0 | 0 | 0 | 110.5 | Q41 D42 Y47 Y48 | Q41-L44 PolarHBondContact O-N 3.35Å; D42-L44 VanDerWaalsContact C-N 3.34Å; D42-L44 PolarHBondContact O-N 3.46Å; L44-Y47 PolarHBondContact O-N 2.87Å; L44-Y48 HydrophobicContact CD2-CE2 3.87Å; L44-Y48 WeakPolarHBondContact O-CD2 2.96Å; L44-Y48 PolarHBondContact O-N 3.32Å |
| 45 | I | 47.3 | Very low | 43 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 48% | 0.477 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -70.4 | -38.2 | -178.8 | -61.9 | 163.2 | 0 | 0 | 0 | 110.6 | Q41 D42 Y47 Y48 Y49 | Q41-I45 HydrophobicContact CB-CD1 4.45Å; Q41-I45 WeakPolarHBondContact O-CD1 3.29Å; Q41-I45 WeakPolarHBondContact O-CG1 3.18Å; Q41-I45 PolarHBondContact O-N 3.46Å; D42-I45 PolarHBondContact O-N 2.74Å; I45-Y47 VanDerWaalsContact C-N 3.33Å; I45-Y47 PolarHBondContact O-N 3.45Å; I45-Y48 PolarHBondContact O-N 2.9Å; I45-Y49 WeakPolarHBondContact O-CB 3.08Å; I45-Y49 PolarHBondContact O-N 3.34Å |
| 46 | D | 45.8 | Very low | 43.3 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 58% | 0.578 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.1 | -34.7 | 176.7 | -165.6 | 53 | 0 | 0 | 0 | 113 | D42 Y48 Y49 T50 | D42-D46 PolarHBondContact O-N 3.35Å; D46-Y48 VanDerWaalsContact C-N 3.34Å; D46-Y48 PolarHBondContact O-N 3.47Å; D46-Y49 PolarHBondContact O-N 2.9Å; D46-T50 WeakPolarHBondContact O-CB 3.46Å; D46-T50 PolarHBondContact O-N 2.82Å; D46-T50 PolarHBondContact O-OG1 2.92Å; D46-T50 VanDerWaalsContact O-OG1 3.05Å |
| 47 | Y | 50.8 | Low | 43.4 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -64 | -36.9 | 174.8 | -176.8 | -97.8 | 0 | 0 | 0 | 112.6 | L44 I45 | L44-Y47 PolarHBondContact O-N 2.87Å; I45-Y47 VanDerWaalsContact C-N 3.33Å; I45-Y47 PolarHBondContact O-N 3.45Å |
| 48 | Y | 47.7 | Very low | 43.6 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -83 | -25.7 | 177.9 | -69.3 | -68.1 | 0 | 0 | 0 | 113.2 | L44 I45 D46 | L44-Y48 HydrophobicContact CD2-CE2 3.87Å; L44-Y48 WeakPolarHBondContact O-CD2 2.96Å; L44-Y48 PolarHBondContact O-N 3.32Å; I45-Y48 PolarHBondContact O-N 2.9Å; D46-Y48 VanDerWaalsContact C-N 3.34Å; D46-Y48 PolarHBondContact O-N 3.47Å |
| 49 | Y | 44.1 | Very low | 43.8 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 77% | 0.765 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -88.5 | -21.4 | -178.2 | -140.9 | -95.4 | 0 | 0 | 0 | 113.6 | I45 D46 G51 | I45-Y49 WeakPolarHBondContact O-CB 3.08Å; I45-Y49 PolarHBondContact O-N 3.34Å; D46-Y49 PolarHBondContact O-N 2.9Å; Y49-G51 PolarHBondContact O-N 2.62Å; Y49-G51 VanDerWaalsContact O-N 3.16Å |
| 50 | T | 42.3 | Very low | 44.1 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 18 | 174.9 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | D46 | D46-T50 WeakPolarHBondContact O-CB 3.46Å; D46-T50 PolarHBondContact O-N 2.82Å; D46-T50 PolarHBondContact O-OG1 2.92Å; D46-T50 VanDerWaalsContact O-OG1 3.05Å |
| 51 | G | 40 | Very low | 43.9 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -5.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y49 | Y49-G51 PolarHBondContact O-N 2.62Å; Y49-G51 VanDerWaalsContact O-N 3.16Å |
| 52 | T | 42.8 | Very low | 44.1 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 83% | 0.828 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -127.1 | 55.1 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 53 | S | 40 | Very low | 44.3 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -164.8 | 108.5 | 160.4 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 54 | G | 36.7 | Very low | 43.9 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | trans | 74.2 | 99.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 55 | K | 37.7 | Very low | 43.9 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | | | trans | 63.9 | 107.5 | 138.7 | -62.9 | -176.2 | 176.8 | 178.4 | 0 | 120 | | |
| 56 | H | 45.1 | Very low | 43.9 | Very low | 180 Ų | 180 | 136.9 Ų | 136.9 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | | | trans | 46 | 113.3 | 143.4 | -79.7 | -96.6 | 0 | 0 | 0 | 119.7 | | |
| 57 | K | 39.4 | Very low | 44.1 | Very low | 200 Ų | 200 | 137.6 Ų | 137.6 | 87% | 0.87 | 74% | 0.737 | S | S | * | * | | | | -169.5 | 110.6 | 124.3 | -93.3 | 148.2 | -167.3 | -174.4 | 0 | 110.7 | | |
| 58 | T | 39.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | | | trans | 24.8 | 120.9 | 158.2 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 59 | P | 46.1 | Very low | 44 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | trans | -68.9 | 131.6 | 160.8 | 29.7 | -31 | 0 | 0 | 0 | 110.1 | F61 | P59-F61 PolarHBondContact O-N 3.45Š|
| 60 | Q | 50.2 | Low | 44.5 | Very low | 188 Ų | 188 | 125.7 Ų | 125.7 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | | | trans | -63.7 | 113.6 | 170.5 | -146.9 | 170.9 | 33.6 | 0 | 0 | 107.4 | L62 | Q60-L62 PolarHBondContact O-N 3.5Š|
| 61 | F | 38.7 | Very low | 45 | Very low | 202 Ų | 202 | 124.1 Ų | 124.1 | 89% | 0.886 | 70% | 0.702 | S | S | * | * | | | trans | -55.9 | 111.4 | 178 | -109.8 | -105.6 | 0 | 0 | 0 | 109.1 | P59 D63 | P59-F61 PolarHBondContact O-N 3.45Å; F61-D63 PolarHBondContact O-N 3.23Å |
| 62 | L | 45.2 | Very low | 45.7 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 86% | 0.859 | 69% | 0.694 | S | S | * | * | | | trans | -74.6 | 102.7 | 165.3 | -79.4 | 157.1 | 0 | 0 | 0 | 106.7 | Q60 | Q60-L62 PolarHBondContact O-N 3.5Š|
| 63 | D | 46.4 | Very low | 46.1 | Very low | 107 Ų | 107 | 123 Ų | 123 | 57% | 0.572 | 68% | 0.681 | S | S | * | * | | | trans | -66.6 | 130.6 | 178.2 | -172.6 | 24.3 | 0 | 0 | 0 | 110.2 | F61 T65 S66 | F61-D63 PolarHBondContact O-N 3.23Å; D63-T65 PolarHBondContact O-N 2.9Å; D63-S66 WeakPolarHBondContact O-CB 3.25Å; D63-S66 PolarHBondContact O-N 3.24Å |
| 64 | A | 44.4 | Very low | 46.5 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -60.1 | -22.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S66 L67 H68 | A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.4Å; A64-L67 PolarHBondContact O-N 3.49Å; A64-H68 PolarHBondContact O-N 2.93Å |
| 65 | T | 52.4 | Low | 46.6 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 56% | 0.558 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -69.9 | -29.4 | 178.7 | -38.3 | 0 | 0 | 0 | 0 | 112.7 | D63 L69 | D63-T65 PolarHBondContact O-N 2.9Å; T65-L69 PolarHBondContact O-N 2.89Å |
| 66 | S | 46.2 | Very low | 46.5 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.8 | -33.5 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | D63 A64 L69 A70 | D63-S66 WeakPolarHBondContact O-CB 3.25Å; D63-S66 PolarHBondContact O-N 3.24Å; A64-S66 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 3.4Å; S66-L69 PolarHBondContact O-N 2.93Å; S66-A70 PolarHBondContact O-N 3.34Å; S66-A70 VanDerWaalsContact O-N 3.12Å |
| 67 | L | 49.8 | Very low | 46.2 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.8 | -40.1 | 178.1 | -173.9 | 69.3 | 0 | 0 | 0 | 110.6 | A64 L69 A70 V71 | A64-L67 PolarHBondContact O-N 3.49Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.44Å; L67-A70 PolarHBondContact O-N 3.3Å; L67-V71 WeakPolarHBondContact O-CB 3.25Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.07Å |
| 68 | H | 46.2 | Very low | 45.9 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 60% | 0.602 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 176.4 | -159.1 | -117.4 | 0 | 0 | 0 | 111.6 | A64 V71 E72 | A64-H68 PolarHBondContact O-N 2.93Å; H68-V71 PolarHBondContact O-N 3.03Å; H68-E72 WeakPolarHBondContact O-CB 3.34Å; H68-E72 PolarHBondContact O-N 3.02Å |
| 69 | L | 51.2 | Low | 46.3 | Very low | 121 Ų | 121 | 125 Ų | 125 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.3 | -34.5 | 178.3 | -133.4 | 154.9 | 0 | 0 | 0 | 112.6 | T65 S66 L67 A73 | T65-L69 PolarHBondContact O-N 2.89Å; S66-L69 PolarHBondContact O-N 2.93Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.44Å; L69-A73 WeakPolarHBondContact O-CB 3.39Å; L69-A73 PolarHBondContact O-N 2.92Å |
| 70 | A | 53.7 | Low | 46.1 | Very low | 48 Ų | 48 | 126.6 Ų | 126.6 | 40% | 0.397 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -72.8 | -41.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S66 L67 E72 A73 F74 | S66-A70 PolarHBondContact O-N 3.34Å; S66-A70 VanDerWaalsContact O-N 3.12Å; L67-A70 PolarHBondContact O-N 3.3Å; A70-E72 VanDerWaalsContact C-N 3.33Å; A70-A73 PolarHBondContact O-N 3.47Å; A70-F74 WeakPolarHBondContact O-CD2 3.3Å; A70-F74 PolarHBondContact O-N 3.12Å |
| 71 | V | 52.5 | Low | 46 | Very low | 71 Ų | 71 | 124.9 Ų | 124.9 | 43% | 0.43 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.4 | -41.5 | 173.4 | 165.8 | 0 | 0 | 0 | 0 | 110.6 | L67 H68 A73 F74 Y75 | L67-V71 WeakPolarHBondContact O-CB 3.25Å; L67-V71 VanDerWaalsContact O-CG2 3.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.44Å; L67-V71 PolarHBondContact O-N 3.07Å; H68-V71 PolarHBondContact O-N 3.03Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.93Å; V71-F74 PolarHBondContact O-N 2.92Å; V71-Y75 HydrophobicContact CG1-CD2 4.11Å; V71-Y75 HydrophobicContact CG1-CE2 4.45Å; V71-Y75 WeakPolarHBondContact O-CD2 3.28Å; V71-Y75 PolarHBondContact O-N 2.94Å |
| 72 | E | 54.5 | Low | 45.6 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 51% | 0.505 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.3 | -32.1 | 177.1 | -166.1 | 175.1 | 170 | 0 | 0 | 112.1 | H68 A70 F74 Y75 R76 | H68-E72 WeakPolarHBondContact O-CB 3.34Å; H68-E72 PolarHBondContact O-N 3.02Å; A70-E72 VanDerWaalsContact C-N 3.33Å; E72-F74 VanDerWaalsContact C-N 3.33Å; E72-F74 PolarHBondContact O-N 2.96Å; E72-Y75 PolarHBondContact O-N 3.41Å; E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 PolarHBondContact O-N 3.35Å |
| 73 | A | 51.6 | Low | 45.6 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.1 | -28.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L69 A70 V71 | L69-A73 WeakPolarHBondContact O-CB 3.39Å; L69-A73 PolarHBondContact O-N 2.92Å; A70-A73 PolarHBondContact O-N 3.47Å; V71-A73 VanDerWaalsContact C-N 3.34Å; V71-A73 PolarHBondContact O-N 2.93Å |
| 74 | F | 48.5 | Very low | 45 | Very low | 187 Ų | 187 | 124 Ų | 124 | 82% | 0.82 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82 | -23.2 | 172.9 | -86.7 | -77.9 | 0 | 0 | 0 | 113.4 | A70 V71 E72 | A70-F74 WeakPolarHBondContact O-CD2 3.3Å; A70-F74 PolarHBondContact O-N 3.12Å; V71-F74 PolarHBondContact O-N 2.92Å; E72-F74 VanDerWaalsContact C-N 3.33Å; E72-F74 PolarHBondContact O-N 2.96Å |
| 75 | Y | 38.4 | Very low | 44.8 | Very low | 199 Ų | 199 | 125.9 Ų | 125.9 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -97.4 | -14.6 | 178.9 | -89.5 | -91 | 0 | 0 | 0 | 114.6 | V71 E72 | V71-Y75 HydrophobicContact CG1-CD2 4.11Å; V71-Y75 HydrophobicContact CG1-CE2 4.45Å; V71-Y75 WeakPolarHBondContact O-CD2 3.28Å; V71-Y75 PolarHBondContact O-N 2.94Å; E72-Y75 PolarHBondContact O-N 3.41Å |
| 76 | R | 36.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 128 Ų | 128 | 64% | 0.638 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -78.5 | 124.2 | 169.6 | -156.3 | 178.2 | -150.5 | 177.9 | 7.7 | 108.5 | E72 N78 | E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 PolarHBondContact O-N 3.35Å; R76-N78 PolarHBondContact O-N 3.38Å |
| 77 | P | 39.5 | Very low | 43.2 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | | | trans | -73.8 | 79.8 | 179.5 | 31.6 | -32.6 | 0 | 0 | 0 | 108.5 | F79 | P77-F79 WeakPolarHBondContact O-CD1 3.24Å; P77-F79 WeakPolarHBondContact O-CE1 3.32Å; P77-F79 PolarHBondContact O-N 3.13Å |
| 78 | N | 32.5 | Very low | 42.5 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 56% | 0.556 | 66% | 0.663 | S | S | * | * | | | trans | -84.3 | 96.4 | 160.6 | -80.3 | -59.1 | 0 | 0 | 0 | 106.6 | R76 I80 | R76-N78 PolarHBondContact O-N 3.38Å; N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 3.43Å |
| 79 | F | 48.5 | Very low | 41.8 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 78% | 0.781 | 67% | 0.673 | S | S | * | * | | | trans | -48 | 89 | 159.5 | 18 | -96.4 | 0 | 0 | 0 | 109.5 | P77 | P77-F79 WeakPolarHBondContact O-CD1 3.24Å; P77-F79 WeakPolarHBondContact O-CE1 3.32Å; P77-F79 PolarHBondContact O-N 3.13Å |
| 80 | I | 40.8 | Very low | 41.2 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | | | trans | -102.7 | 80.6 | 160.4 | -55.7 | -176.4 | 0 | 0 | 0 | 106.6 | N78 F82 | N78-I80 VanDerWaalsContact C-N 3.25Å; N78-I80 PolarHBondContact O-N 3.43Å; I80-F82 PolarHBondContact O-N 3.37Å |
| 81 | L | 48.5 | Very low | 40.4 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | | | trans | 12.3 | 84.6 | 135.7 | -164 | 112 | 0 | 0 | 0 | 114.5 | K83 | L81-K83 PolarHBondContact O-N 3.32Š|
| 82 | F | 30.6 | Very low | 39.5 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | | | trans | -93.3 | 93.5 | 156.2 | -162.3 | -109.5 | 0 | 0 | 0 | 107.8 | I80 D84 | I80-F82 PolarHBondContact O-N 3.37Å; F82-D84 HydrophobicContact CE1-CB 4.36Å; F82-D84 WeakPolarHBondContact CE1-OD2 3.29Å; F82-D84 PolarHBondContact O-N 3.3Å |
| 83 | K | 44.4 | Very low | 38.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 64% | 0.635 | 73% | 0.734 | S | S | * | * | | | trans | -65.1 | 117 | 163.6 | 169.4 | -178.2 | 166.8 | 177.8 | 0 | 107.4 | L81 D85 | L81-K83 PolarHBondContact O-N 3.32Å; K83-D85 WeakPolarHBondContact CE-OD2 3.44Å; K83-D85 IonicContact NZ-OD2 3.93Å |
| 84 | D | 34.6 | Very low | 37.5 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -131.5 | 103.5 | 150.9 | -94.9 | -21.4 | 0 | 0 | 0 | 108.2 | F82 | F82-D84 HydrophobicContact CE1-CB 4.36Å; F82-D84 WeakPolarHBondContact CE1-OD2 3.29Å; F82-D84 PolarHBondContact O-N 3.3Å |
| 85 | D | 39.9 | Very low | 37.1 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | -56.7 | 135 | 157.6 | -70.3 | -70.9 | 0 | 0 | 0 | 108.6 | K83 | K83-D85 WeakPolarHBondContact CE-OD2 3.44Å; K83-D85 IonicContact NZ-OD2 3.93Å |
| 86 | V | 33.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | | | trans | 162.6 | 94.5 | 136.4 | 170.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 87 | S | 31 | Very low | 36.7 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | | | | 53.5 | 113.2 | 124.5 | 178 | 0 | 0 | 0 | 0 | 121.3 | | |
| 88 | L | 34.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | 66.6 | 107.4 | 137.7 | -65.7 | 172 | 0 | 0 | 0 | 119.1 | | |
| 89 | H | 32.1 | Very low | 36.5 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | | | | -172.6 | 135.2 | 92.2 | -125.7 | -94.8 | 0 | 0 | 0 | 111.7 | | |
| 90 | S | 39.6 | Very low | 36.2 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -65.4 | 136.1 | -179.9 | 53 | 0 | 0 | 0 | 0 | 114.5 | | |
| 91 | K | 35 | Very low | 36.2 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | | | | -165.8 | 114.4 | 127.8 | -122.3 | 173.8 | 177 | 174.1 | 0 | 112 | | |
| 92 | D | 34.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | -56.7 | 136.3 | 167.3 | -58.8 | -83.2 | 0 | 0 | 0 | 112.2 | | |
| 93 | S | 32.6 | Very low | 35.9 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -154.7 | 88.9 | 144.2 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 94 | K | 32.2 | Very low | 35.5 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | -0.7 | 127.1 | 152.9 | -156.8 | 173.9 | 177.4 | -152.9 | 0 | 118.3 | E96 | K94-E96 WeakPolarHBondContact CE-OE2 3.13Å; K94-E96 IonicContact NZ-OE2 2.72Å; K94-E96 PolarHBondContact NZ-OE2 3.24Å |
| 95 | N | 39.2 | Very low | 35.5 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -76.3 | 129.5 | 159.6 | 47.8 | 3 | 0 | 0 | 0 | 111.3 | | |
| 96 | E | 32.8 | Very low | 35.6 | Very low | 149 Ų | 149 | 145 Ų | 145 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | -161.3 | 106.5 | 162.5 | -134.8 | 175.2 | 116.6 | 0 | 0 | 105.9 | K94 | K94-E96 WeakPolarHBondContact CE-OE2 3.13Å; K94-E96 IonicContact NZ-OE2 2.72Å; K94-E96 PolarHBondContact NZ-OE2 3.24Å |
| 97 | S | 34.4 | Very low | 35.5 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | | | | 92.7 | 131.9 | 93.6 | -169.1 | 0 | 0 | 0 | 0 | 112 | | |
| 98 | F | 34.8 | Very low | 35.3 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 130.1 | 179.6 | -63.1 | -98.9 | 0 | 0 | 0 | 109.7 | | |
| 99 | E | 31.8 | Very low | 34.9 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -151 | 127.4 | 159.4 | -146 | 174.9 | 137.3 | 0 | 0 | 110.9 | | |
| 100 | T | 42.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 142 Ų | 142 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -91.8 | 109.4 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 101 | T | 41 | Very low | 34 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | | | trans | -101.1 | 111.9 | 173.5 | -56 | 0 | 0 | 0 | 0 | 110.2 | T103 | T101-T103 HydrophobicContact CG2-CG2 4.18Š|
| 102 | F | 39.6 | Very low | 33.6 | Very low | 174 Ų | 174 | 142 Ų | 142 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -64.6 | 127.9 | 163 | 173.3 | -95.9 | 0 | 0 | 0 | 109.5 | E104 | F102-E104 HydrophobicContact CE1-CB 3.96Å; F102-E104 HydrophobicContact CZ-CB 4.11Å |
| 103 | T | 33.8 | Very low | 33.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -135 | 106.8 | 160.6 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | T101 | T101-T103 HydrophobicContact CG2-CG2 4.18Š|
| 104 | E | 35.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | trans | -52.7 | 124.1 | 154.8 | 175.6 | -173.9 | 166.2 | 0 | 0 | 109.9 | F102 | F102-E104 HydrophobicContact CE1-CB 3.96Å; F102-E104 HydrophobicContact CZ-CB 4.11Å |
| 105 | S | 34.5 | Very low | 32.7 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -114.1 | 96.2 | 166.9 | 57.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 106 | K | 42 | Very low | 32.2 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | | | trans | -83 | 117.3 | 162 | 174.1 | 179.3 | -179.7 | 171.8 | 0 | 107.4 | | |
| 107 | D | 30.7 | Very low | 32 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -140 | 147.6 | 161.4 | -88.7 | -44.7 | 0 | 0 | 0 | 111.6 | | |
| 108 | T | 27 | Very low | 31.6 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | | | trans | -114.7 | 147.8 | -150.9 | -7.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 109 | V | 27.5 | Very low | 31.4 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 88.9 | 109.1 | 140.1 | 173 | 0 | 0 | 0 | 0 | 120 | | |
| 110 | S | 26.6 | Very low | 31.1 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | | | | 96.2 | 155.8 | 122 | -169.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 111 | Y | 25.7 | Very low | 30.6 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | | | trans | 84.1 | 114.8 | -174.6 | -59.8 | -83.4 | 0 | 0 | 0 | 113.3 | | |
| 112 | G | 25.6 | Very low | 30 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | cis | 140.1 | 116.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 113 | V | 24.5 | Very low | 29.5 | Very low | 146 Ų | 146 | 133 Ų | 133 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | | | trans | 73.7 | 111.2 | 159.1 | -174.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 114 | S | 28 | Very low | 29.2 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | -161.7 | 125.2 | 120.8 | 62 | 0 | 0 | 0 | 0 | 112.2 | | |
| 115 | S | 28.7 | Very low | 28.7 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -22 | 160.4 | 162.8 | -66.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 116 | E | 28 | Very low | 28.6 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | cis | 175.2 | 136.6 | -8.4 | -178.8 | 175.6 | 133.5 | 0 | 0 | 101.8 | | |
| 117 | N | 28.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | 166.8 | 89.1 | 150.7 | -82.6 | -6 | 0 | 0 | 0 | 110.1 | | |
| 118 | T | 26.2 | Very low | 28.3 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 21.5 | 114.6 | 126.5 | -25.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 119 | V | 31.5 | Very low | 29.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | | -164 | 117.6 | 110.9 | 171.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 120 | D | 26.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | trans | -65.8 | 145 | 167.6 | -111.1 | -66.2 | 0 | 0 | 0 | 111.7 | | |
| 121 | I | 31 | Very low | 30.6 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | | -158.3 | 109.3 | 122.5 | -90.4 | 140 | 0 | 0 | 0 | 107.5 | | |
| 122 | S | 28.6 | Very low | 31 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 141.7 | 167.2 | -65.6 | 0 | 0 | 0 | 0 | 111 | | |
| 123 | L | 29.4 | Very low | 31.7 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | | 175.4 | 127.3 | 118 | -119.3 | 69.5 | 0 | 0 | 0 | 113.4 | | |
| 124 | Q | 27.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | | | | 79.6 | 136.1 | 125.4 | -156.9 | 171 | 71.2 | 0 | 0 | 121.4 | | |
| 125 | G | 26 | Very low | 32.6 | Very low | 62 Ų | 62 | 138.4 Ų | 138.4 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | | | trans | 104.4 | 87.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 126 | E | 31.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | | 55.6 | 113.9 | 91.5 | -122 | -157.1 | 34 | 0 | 0 | 114.6 | | |
| 127 | K | 36.8 | Very low | 32.9 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | | | trans | 60.8 | 116.6 | 151.4 | -32.1 | 175.5 | 176.3 | 137.6 | 0 | 117.9 | | |
| 128 | D | 29.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | | 171.6 | 150.3 | 102 | -167.4 | 36.9 | 0 | 0 | 0 | 111.4 | K130 | D128-K130 PolarHBondContact O-N 3.28Š|
| 129 | L | 46.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 119 | 179.7 | -66 | 147.5 | 0 | 0 | 0 | 111.1 | | |
| 130 | K | 37.3 | Very low | 33.9 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | | | trans | -152 | 103.3 | 153.9 | -162.2 | 176.1 | -178.9 | -173.4 | 0 | 110.4 | D128 Q132 | D128-K130 PolarHBondContact O-N 3.28Å; K130-Q132 PolarHBondContact O-N 3.44Å; K130-Q132 VanDerWaalsContact O-N 3.09Å |
| 131 | I | 45.3 | Very low | 34 | Very low | 157 Ų | 157 | 149.7 Ų | 149.7 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -64.7 | 109.1 | 169.4 | -59.8 | 179.8 | 0 | 0 | 0 | 107 | | |
| 132 | Q | 34.3 | Very low | 33.9 | Very low | 167 Ų | 167 | 151 Ų | 151 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -93 | 92 | 166.8 | -171.9 | 166 | 29.8 | 0 | 0 | 108.1 | K130 V134 | K130-Q132 PolarHBondContact O-N 3.44Å; K130-Q132 VanDerWaalsContact O-N 3.09Å; Q132-V134 HydrophobicContact CG-CG2 3.93Å; Q132-V134 PolarHBondContact O-N 3.2Å; Q132-V134 VanDerWaalsContact O-N 3.15Å |
| 133 | T | 41.4 | Very low | 33.6 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | | | trans | -67.1 | 103.3 | 166.8 | -52.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 134 | V | 35.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | | | trans | -96.3 | 110.7 | 166.8 | -178.1 | 0 | 0 | 0 | 0 | 107 | Q132 | Q132-V134 HydrophobicContact CG-CG2 3.93Å; Q132-V134 PolarHBondContact O-N 3.2Å; Q132-V134 VanDerWaalsContact O-N 3.15Å |
| 135 | S | 36.1 | Very low | 34 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | trans | -59.9 | 129 | 165.9 | -60.9 | 0 | 0 | 0 | 0 | 108.8 | E137 | S135-E137 PolarHBondContact O-N 3.23Š|
| 136 | Y | 31.9 | Very low | 34.2 | Very low | 220 Ų | 220 | 158 Ų | 158 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | | | trans | -81.6 | 110.7 | 162 | -102.7 | -96.1 | 0 | 0 | 0 | 108.1 | | |
| 137 | E | 31.6 | Very low | 34.5 | Very low | 161 Ų | 161 | 159.1 Ų | 159.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -53.3 | 137 | 165.1 | 41.9 | -139.2 | 88.2 | 0 | 0 | 112.4 | S135 E139 | S135-E137 PolarHBondContact O-N 3.23Å; E137-E139 PolarHBondContact O-N 3.35Å |
| 138 | V | 38.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 156 Ų | 156 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | | | trans | -75.9 | 113.5 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 106.9 | E140 | V138-E140 HydrophobicContact CG1-CG 3.56Å; V138-E140 PolarHBondContact O-N 3.05Å; V138-E140 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 33.9 | Very low | 34.7 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -75.4 | 93.3 | 164.1 | -73.6 | -174.5 | 106.4 | 0 | 0 | 108.5 | E137 | E137-E139 PolarHBondContact O-N 3.35Š|
| 140 | E | 34.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 154 Ų | 154 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -89.7 | 128.5 | 152.4 | -48.6 | -168.3 | 160.5 | 0 | 0 | 106.3 | V138 | V138-E140 HydrophobicContact CG1-CG 3.56Å; V138-E140 PolarHBondContact O-N 3.05Å; V138-E140 VanDerWaalsContact O-N 3.13Å |
| 141 | E | 29 | Very low | 34.7 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | 165.7 | 116.5 | 140.1 | -91.1 | 174 | -174.4 | 0 | 0 | 112.5 | | |
| 142 | Q | 28 | Very low | 34.3 | Very low | 195 Ų | 195 | 148.4 Ų | 148.4 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -150.2 | 85.1 | 135.1 | -162 | 108.2 | 62.3 | 0 | 0 | 108.2 | | |
| 143 | C | 22.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | trans | -74.8 | 142.1 | 164.1 | -69.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 144 | P | 33.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -93.5 | 112.4 | 147.4 | 11.6 | 7.1 | 0 | 0 | 0 | 108.7 | Y146 | P144-Y146 PolarHBondContact O-N 3.46Š|
| 145 | E | 30.9 | Very low | 34.3 | Very low | 186 Ų | 186 | 151.8 Ų | 151.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -33.8 | 122 | 162.7 | -161.6 | 167.1 | 98.2 | 0 | 0 | 113.6 | | |
| 146 | Y | 30.8 | Very low | 34.6 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -141.4 | 105 | 148.9 | 72.6 | -84.8 | 0 | 0 | 0 | 108.5 | P144 | P144-Y146 PolarHBondContact O-N 3.46Š|
| 147 | E | 37.6 | Very low | 34.7 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | -65.3 | 130.8 | 164.5 | -76.1 | -156.1 | 110.7 | 0 | 0 | 109 | | |
| 148 | S | 32.6 | Very low | 34.8 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -158.3 | 95 | 156.9 | -161.5 | 0 | 0 | 0 | 0 | 110 | S150 | S148-S150 PolarHBondContact O-N 3.11Š|
| 149 | D | 37.9 | Very low | 34.8 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -63 | 113 | 165.9 | -71.2 | -39.2 | 0 | 0 | 0 | 110.3 | | |
| 150 | S | 38.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -162.5 | 108.6 | 157.4 | -91.3 | 0 | 0 | 0 | 0 | 110.3 | S148 | S148-S150 PolarHBondContact O-N 3.11Š|
| 151 | S | 46.2 | Very low | 34.9 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -68.2 | 129.9 | 169 | 66.4 | 0 | 0 | 0 | 0 | 111 | | |
| 152 | S | 36.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -159.7 | 125.4 | 147.5 | -91.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 153 | D | 38.4 | Very low | 36.3 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | -54.3 | 130.4 | 171.8 | -58.1 | -72 | 0 | 0 | 0 | 111.6 | | |
| 154 | S | 37.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -166.7 | 120.3 | 146.9 | -82 | 0 | 0 | 0 | 0 | 110.6 | | |
| 155 | E | 35 | Very low | 38.1 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | trans | -80.2 | 127.2 | -178.6 | 55.5 | -162.3 | 110.9 | 0 | 0 | 112.3 | | |
| 156 | S | 42.9 | Very low | 38.9 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | 56.5 | 66.7 | 148.7 | 64.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 157 | E | 33 | Very low | 39.7 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | trans | -86.6 | 137.4 | 134.5 | 57.7 | -152.2 | 101 | 0 | 0 | 106.1 | | |
| 158 | D | 35.1 | Very low | 40 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | | | cis | 168.2 | 165.4 | 17.9 | 46.2 | -8.5 | 0 | 0 | 0 | 107.2 | | |
| 159 | N | 37.3 | Very low | 40.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | | | trans | 81.9 | 55.7 | 160.4 | -49.3 | -59.7 | 0 | 0 | 0 | 119.5 | L161 | N159-L161 PolarHBondContact O-N 3.41Š|
| 160 | F | 33.7 | Very low | 41.5 | Very low | 216 Ų | 216 | 124.1 Ų | 124.1 | 95% | 0.947 | 69% | 0.691 | S | S | * | * | | | trans | -80.5 | 51.2 | 149.8 | -146.6 | -98 | 0 | 0 | 0 | 110.9 | V162 | F160-V162 PolarHBondContact O-N 3.39Š|
| 161 | L | 36.9 | Very low | 42 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | | | trans | -76.5 | 112.6 | 161.6 | -75.1 | 178.3 | 0 | 0 | 0 | 107.6 | N159 L163 | N159-L161 PolarHBondContact O-N 3.41Å; L161-L163 PolarHBondContact O-N 3.07Å |
| 162 | V | 48.2 | Very low | 42.1 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | | | trans | -16.6 | 115.6 | 144.8 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | F160 | F160-V162 PolarHBondContact O-N 3.39Š|
| 163 | L | 38.8 | Very low | 42.9 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 53% | 0.534 | 62% | 0.615 | S | S | . | * | | | trans | -143.7 | 129.7 | 148.4 | -117.8 | 101.7 | 0 | 0 | 0 | 111 | L161 R166 | L161-L163 PolarHBondContact O-N 3.07Å; L163-R166 VanDerWaalsContact CB-CZ 3.45Å; L163-R166 HydrophobicContact CD2-CG 4.2Å |
| 164 | P | 44.6 | Very low | 43.6 | Very low | 92 Ų | 92 | 111.3 Ų | 111.3 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | | | trans | -80.2 | -170.2 | 163.1 | 38.9 | -34.2 | 0 | 0 | 0 | 109.5 | | |
| 165 | P | 48.5 | Very low | 44.1 | Very low | 82 Ų | 82 | 108.2 Ų | 108.2 | 53% | 0.532 | 58% | 0.575 | S | S | . | * | | | | -62.4 | 134.2 | -129.1 | 37.4 | -23.2 | 0 | 0 | 0 | 115.9 | F203 | P165-F203 HydrophobicContact CB-CZ 4.47Š|
| 166 | R | 47.8 | Very low | 44.9 | Very low | 157 Ų | 157 | 103.2 Ų | 103.2 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | | | trans | -118.3 | -8.8 | -168.7 | -80.6 | -177.1 | 161.4 | 160.8 | -8.6 | 118.2 | L163 | L163-R166 VanDerWaalsContact CB-CZ 3.45Å; L163-R166 HydrophobicContact CD2-CG 4.2Å |
| 167 | D | 47.7 | Very low | 45.4 | Very low | 117 Ų | 117 | 103.5 Ų | 103.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4 | -164.8 | -51.6 | -42.6 | 0 | 0 | 0 | 115.7 | L171 | D167-L171 WeakPolarHBondContact O-CD1 3.23Š|
| 168 | Y | 43.5 | Very low | 46.3 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -20.7 | -179.8 | -63.3 | -69.7 | 0 | 0 | 0 | 115.3 | S209 A213 | Y168-S209 VanDerWaalsContact OH-C 3.29Å; Y168-S209 WeakPolarHBondContact OH-CA 3.41Å; Y168-S209 WeakPolarHBondContact OH-CB 3.41Å; Y168-S209 PolarHBondContact OH-O 3.24Å; Y168-A213 HydrophobicContact CE1-CB 4.4Å |
| 169 | L | 50 | Low | 46.9 | Very low | 112 Ų | 112 | 94.7 Ų | 94.7 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.9 | -38.7 | 172.1 | -163.7 | 83.8 | 0 | 0 | 0 | 110 | L171 A172 I173 F188 | L169-L171 PolarHBondContact O-N 3.01Å; L169-A172 PolarHBondContact O-N 3.44Å; L169-I173 HydrophobicContact CD2-CD1 4.35Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 VanDerWaalsContact O-CD1 3.29Å; L169-I173 WeakPolarHBondContact O-CD1 3.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.24Å; L169-I173 PolarHBondContact O-N 3Å; L169-I173 VanDerWaalsContact O-N 3.15Å; L169-F188 HydrophobicContact CD1-CE2 4.49Å; L169-F188 HydrophobicContact CD1-CZ 4.46Å; L169-F188 HydrophobicContact CD2-CZ 4.44Å; L169-F188 HydrophobicContact CG-CZ 4.39Å |
| 170 | G | 52.3 | Low | 47.4 | Very low | 43 Ų | 43 | 96 Ų | 96 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | F174 | G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.37Å; G170-F174 PolarHBondContact O-N 3.25Å |
| 171 | L | 49.3 | Very low | 48.5 | Very low | 36 Ų | 36 | 97 Ų | 97 | 19% | 0.188 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -78.4 | -28.3 | 177.9 | -90.8 | 108.9 | 0 | 0 | 0 | 114.9 | D167 L169 S175 A213 L216 A217 | D167-L171 WeakPolarHBondContact O-CD1 3.23Å; L169-L171 PolarHBondContact O-N 3.01Å; L171-S175 PolarHBondContact O-N 3.19Å; L171-A213 HydrophobicContact CD1-CB 3.74Å; L171-A213 HydrophobicContact CD2-CB 4Å; L171-A213 WeakPolarHBondContact CD2-O 3.2Å; L171-A213 HydrophobicContact CG-CB 4.5Å; L171-L216 HydrophobicContact CD2-CB 3.99Å; L171-A217 HydrophobicContact CD2-CB 3.51Å; L171-A217 HydrophobicContact CG-CB 4.45Å |
| 172 | A | 47 | Very low | 49.3 | Very low | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -78.7 | -28.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L169 S175 M176 | L169-A172 PolarHBondContact O-N 3.44Å; A172-S175 PolarHBondContact O-OG 2.92Å; A172-M176 PolarHBondContact O-N 3.48Å |
| 173 | I | 54.2 | Low | 49.4 | Very low | 48 Ų | 48 | 94.4 Ų | 94.4 | 25% | 0.246 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 169.5 | -66.7 | 162.4 | 0 | 0 | 0 | 110.2 | L169 S175 M176 L177 F188 | L169-I173 HydrophobicContact CD2-CD1 4.35Å; L169-I173 HydrophobicContact CG-CD1 4.05Å; L169-I173 VanDerWaalsContact O-CD1 3.29Å; L169-I173 WeakPolarHBondContact O-CD1 3.21Å; L169-I173 WeakPolarHBondContact O-CG1 3.24Å; L169-I173 PolarHBondContact O-N 3Å; L169-I173 VanDerWaalsContact O-N 3.15Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.38Å; I173-M176 PolarHBondContact O-N 3.47Å; I173-M176 VanDerWaalsContact O-N 3.11Å; I173-L177 HydrophobicContact CG2-CD1 3.63Å; I173-L177 HydrophobicContact CG2-CG 4.3Å; I173-L177 VanDerWaalsContact O-CG 3.28Å; I173-L177 WeakPolarHBondContact O-CG 3.38Å; I173-L177 PolarHBondContact O-N 2.65Å; I173-F188 HydrophobicContact CB-CE2 4.45Å; I173-F188 HydrophobicContact CD1-CD2 4.36Å; I173-F188 HydrophobicContact CD1-CE1 4.06Å; I173-F188 HydrophobicContact CD1-CE2 3.43Å; I173-F188 VanDerWaalsContact CD1-CE2 3.43Å; I173-F188 HydrophobicContact CD1-CZ 3.24Å; I173-F188 HydrophobicContact CG1-CD2 3.62Å; I173-F188 HydrophobicContact CG1-CE1 4.32Å; I173-F188 HydrophobicContact CG1-CE2 3.04Å; I173-F188 HydrophobicContact CG1-CG 4.49Å; I173-F188 HydrophobicContact CG1-CZ 3.46Å; I173-F188 VanDerWaalsContact CG1-CZ 3.46Å |
| 174 | F | 53 | Low | 50.2 | Low | 108 Ų | 108 | 90 Ų | 90 | 47% | 0.474 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -37.2 | 177.8 | -161.8 | -100 | 0 | 0 | 0 | 111.9 | G170 L177 C178 S220 I221 | G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.37Å; G170-F174 PolarHBondContact O-N 3.25Å; F174-L177 PolarHBondContact O-N 2.99Å; F174-C178 PolarHBondContact O-N 2.78Å; F174-S220 PolarHBondContact O-OG 2.79Å; F174-I221 HydrophobicContact CE1-CG1 4.34Å |
| 175 | S | 46.9 | Very low | 50.8 | Low | 49 Ų | 49 | 90 Ų | 90 | 34% | 0.343 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -74.9 | -17.4 | 174.2 | 82.7 | 0 | 0 | 0 | 0 | 115 | L171 A172 I173 S220 | L171-S175 PolarHBondContact O-N 3.19Å; A172-S175 PolarHBondContact O-OG 2.92Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.38Å; S175-S220 WeakPolarHBondContact CA-OG 3.27Å |
| 176 | M | 52.9 | Low | 50.9 | Low | 75 Ų | 75 | 90.6 Ų | 90.6 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -89.3 | -22.5 | 171.8 | -89.9 | -136.6 | 118.5 | 0 | 0 | 113.6 | A172 I173 G184 A187 | A172-M176 PolarHBondContact O-N 3.48Å; I173-M176 PolarHBondContact O-N 3.47Å; I173-M176 VanDerWaalsContact O-N 3.11Å; M176-G184 VanDerWaalsContact SD-O 3.34Å; M176-A187 HydrophobicContact CE-CB 3.82Å; M176-A187 HydrophobicContact SD-CB 3.62Å |
| 177 | L | 53 | Low | 50.9 | Low | 116 Ų | 116 | 85.4 Ų | 85.4 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -83.8 | -19.2 | 178.7 | -71.6 | 168.7 | 0 | 0 | 0 | 114 | I173 F174 | I173-L177 HydrophobicContact CG2-CD1 3.63Å; I173-L177 HydrophobicContact CG2-CG 4.3Å; I173-L177 VanDerWaalsContact O-CG 3.28Å; I173-L177 WeakPolarHBondContact O-CG 3.38Å; I173-L177 PolarHBondContact O-N 2.65Å; F174-L177 PolarHBondContact O-N 2.99Å |
| 178 | C | 52.1 | Low | 51.4 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -86.4 | -1.8 | -172.7 | -157.5 | 0 | 0 | 0 | 0 | 114.9 | F174 S220 G224 | F174-C178 PolarHBondContact O-N 2.78Å; C178-S220 VanDerWaalsContact CB-OG 3.27Å; C178-S220 WeakPolarHBondContact CB-OG 3.06Å; C178-S220 PolarHBondContact SG-O 2.8Å; C178-G224 WeakPolarHBondContact O-CA 3.28Å |
| 179 | C | 46.6 | Very low | 51.9 | Low | 46 Ų | 46 | 87.3 Ų | 87.3 | 31% | 0.311 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -129 | -23.4 | -166.9 | -69.6 | 0 | 0 | 0 | 0 | 119 | | |
| 180 | F | 47.8 | Very low | 51.7 | Low | 141 Ų | 141 | 90.4 Ų | 90.4 | 62% | 0.618 | 47% | 0.465 | S | S | * | . | | | trans | -175.5 | 131.6 | 165.1 | -130 | -95.8 | 0 | 0 | 0 | 108.7 | P182 M227 | F180-P182 HydrophobicContact CD1-CG 4.48Å; F180-P182 WeakPolarHBondContact O-CD 3.4Å; F180-P182 VanDerWaalsContact O-N 3.13Å; F180-M227 HydrophobicContact CD2-CE 3.36Å; F180-M227 HydrophobicContact CD2-SD 4.32Å; F180-M227 HydrophobicContact CE2-CE 3.43Å; F180-M227 VanDerWaalsContact CE2-CE 3.43Å |
| 181 | W | 57.8 | Low | 51.4 | Low | 236 Ų | 236 | 91.6 Ų | 91.6 | 89% | 0.894 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -6.3 | -168.9 | -168.3 | 16.4 | 0 | 0 | 0 | 118.4 | I185 | W181-I185 WeakPolarHBondContact O-CD1 3.5Š|
| 182 | P | 53.9 | Low | 51.3 | Low | 75 Ų | 75 | 98.1 Ų | 98.1 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -32.5 | 173.5 | 8.6 | 9.7 | 0 | 0 | 0 | 114.7 | F180 V186 | F180-P182 HydrophobicContact CD1-CG 4.48Å; F180-P182 WeakPolarHBondContact O-CD 3.4Å; F180-P182 VanDerWaalsContact O-N 3.13Å; P182-V186 VanDerWaalsContact O-CG2 3.29Å; P182-V186 WeakPolarHBondContact O-CG2 3.43Å |
| 183 | L | 50.4 | Low | 51.2 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -85.7 | -18.6 | -167.1 | -84.7 | 131.1 | 0 | 0 | 0 | 113.9 | | |
| 184 | G | 55.3 | Low | 50.7 | Low | 9 Ų | 9 | 106.8 Ų | 106.8 | 9% | 0.093 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -70.8 | -32.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | M176 | M176-G184 VanDerWaalsContact SD-O 3.34Å |
| 185 | I | 56.1 | Low | 50.5 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.7 | -27.7 | -174 | -66.1 | 136.7 | 0 | 0 | 0 | 111.8 | W181 Y189 | W181-I185 WeakPolarHBondContact O-CD1 3.5Å; I185-Y189 PolarHBondContact O-N 3.2Å |
| 186 | V | 50.4 | Low | 50.3 | Low | 93 Ų | 93 | 112.4 Ų | 112.4 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -84.4 | -35.2 | -172 | -151.5 | 0 | 0 | 0 | 0 | 112.9 | P182 F188 Y189 Y190 | P182-V186 VanDerWaalsContact O-CG2 3.29Å; P182-V186 WeakPolarHBondContact O-CG2 3.43Å; V186-F188 PolarHBondContact O-N 3.38Å; V186-Y189 WeakPolarHBondContact O-CB 3.27Å; V186-Y189 PolarHBondContact O-N 3.15Å; V186-Y190 PolarHBondContact O-N 3.42Å |
| 187 | A | 49.7 | Very low | 49.9 | Very low | 48 Ų | 48 | 113 Ų | 113 | 40% | 0.397 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.9 | -24.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | M176 S191 | M176-A187 HydrophobicContact CE-CB 3.82Å; M176-A187 HydrophobicContact SD-CB 3.62Å; A187-S191 PolarHBondContact O-N 3.42Å; A187-S191 PolarHBondContact O-OG 2.99Å |
| 188 | F | 56.2 | Low | 49.5 | Very low | 79 Ų | 79 | 114.1 Ų | 114.1 | 35% | 0.346 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.4 | -35.1 | 170.2 | -148.7 | -101.1 | 0 | 0 | 0 | 112.3 | L169 I173 V186 Y190 S191 | L169-F188 HydrophobicContact CD1-CE2 4.49Å; L169-F188 HydrophobicContact CD1-CZ 4.46Å; L169-F188 HydrophobicContact CD2-CZ 4.44Å; L169-F188 HydrophobicContact CG-CZ 4.39Å; I173-F188 HydrophobicContact CB-CE2 4.45Å; I173-F188 HydrophobicContact CD1-CD2 4.36Å; I173-F188 HydrophobicContact CD1-CE1 4.06Å; I173-F188 HydrophobicContact CD1-CE2 3.43Å; I173-F188 VanDerWaalsContact CD1-CE2 3.43Å; I173-F188 HydrophobicContact CD1-CZ 3.24Å; I173-F188 HydrophobicContact CG1-CD2 3.62Å; I173-F188 HydrophobicContact CG1-CE1 4.32Å; I173-F188 HydrophobicContact CG1-CE2 3.04Å; I173-F188 HydrophobicContact CG1-CG 4.49Å; I173-F188 HydrophobicContact CG1-CZ 3.46Å; I173-F188 VanDerWaalsContact CG1-CZ 3.46Å; V186-F188 PolarHBondContact O-N 3.38Å; F188-Y190 VanDerWaalsContact C-N 3.28Å; F188-Y190 PolarHBondContact O-N 3.47Å; F188-S191 PolarHBondContact O-N 3.28Å; F188-S191 VanDerWaalsContact O-N 3.13Å |
| 189 | Y | 55.3 | Low | 49.1 | Very low | 194 Ų | 194 | 116.4 Ų | 116.4 | 76% | 0.761 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.2 | -33 | 172.8 | -170.4 | -101.5 | 0 | 0 | 0 | 112.7 | I185 V186 | I185-Y189 PolarHBondContact O-N 3.2Å; V186-Y189 WeakPolarHBondContact O-CB 3.27Å; V186-Y189 PolarHBondContact O-N 3.15Å |
| 190 | Y | 46.1 | Very low | 49 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.2 | -22.4 | 175.2 | -165.8 | -108.2 | 0 | 0 | 0 | 113.7 | V186 F188 H192 K193 | V186-Y190 PolarHBondContact O-N 3.42Å; F188-Y190 VanDerWaalsContact C-N 3.28Å; F188-Y190 PolarHBondContact O-N 3.47Å; Y190-H192 PolarHBondContact O-N 3.18Å; Y190-K193 PolarHBondContact O-N 3.4Å |
| 191 | S | 45.8 | Very low | 49.2 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -73.1 | -12.6 | 179 | -65.3 | 0 | 0 | 0 | 0 | 113.9 | A187 F188 K193 T194 | A187-S191 PolarHBondContact O-N 3.42Å; A187-S191 PolarHBondContact O-OG 2.99Å; F188-S191 PolarHBondContact O-N 3.28Å; F188-S191 VanDerWaalsContact O-N 3.13Å; S191-K193 PolarHBondContact O-N 3.43Å; S191-T194 PolarHBondContact O-N 2.94Å |
| 192 | H | 45.9 | Very low | 48.3 | Very low | 173 Ų | 173 | 116.1 Ų | 116.1 | 80% | 0.801 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.5 | 173.2 | -109 | -96.8 | 0 | 0 | 0 | 114.2 | Y190 | Y190-H192 PolarHBondContact O-N 3.18Š|
| 193 | K | 45.6 | Very low | 48.2 | Very low | 188 Ų | 188 | 120.7 Ų | 120.7 | 82% | 0.817 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -5.7 | -180 | -127.9 | 177.1 | -175.9 | 177 | 0 | 114.5 | Y190 S191 | Y190-K193 PolarHBondContact O-N 3.4Å; S191-K193 PolarHBondContact O-N 3.43Å |
| 194 | T | 44.3 | Very low | 47.9 | Very low | 96 Ų | 96 | 120 Ų | 120 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | | | trans | -110.4 | 35.4 | -172.8 | -33.9 | 0 | 0 | 0 | 0 | 112.7 | S191 | S191-T194 PolarHBondContact O-N 2.94Š|
| 195 | G | 49.3 | Very low | 47.1 | Very low | 67 Ų | 67 | 128.6 Ų | 128.6 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | | | trans | -87.5 | 6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 196 | K | 42 | Very low | 46.6 | Very low | 209 Ų | 209 | 128.8 Ų | 128.8 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -104.4 | 5.4 | -171.8 | -62.9 | -170.2 | 80.2 | 172.9 | 0 | 116 | | |
| 197 | A | 44.7 | Very low | 46.4 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -117.3 | 1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 198 | I | 44.9 | Very low | 46 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.1 | 9.3 | -178.4 | -59 | -166.3 | 0 | 0 | 0 | 112.3 | K200 | I198-K200 PolarHBondContact O-N 3.06Š|
| 199 | A | 43.4 | Very low | 45.6 | Very low | 96 Ų | 96 | 130.1 Ų | 130.1 | 79% | 0.793 | 72% | 0.717 | S | S | * | * | | | trans | -97.1 | 41 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 200 | K | 43.5 | Very low | 45.5 | Very low | 201 Ų | 201 | 124.2 Ų | 124.2 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | | | trans | -133.6 | 40.9 | 175.5 | -141.3 | 176 | -173.3 | -178.6 | 0 | 112.8 | I198 | I198-K200 PolarHBondContact O-N 3.06Š|
| 201 | G | 52.6 | Low | 45.6 | Very low | 59 Ų | 59 | 125.5 Ų | 125.5 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | | | trans | -54.3 | 131 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 202 | D | 39.5 | Very low | 45.6 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | | | trans | -137.4 | 106.1 | 160.9 | -139.2 | -22.6 | 0 | 0 | 0 | 107.7 | | |
| 203 | F | 52.2 | Low | 46.2 | Very low | 171 Ų | 171 | 124 Ų | 124 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | | | trans | -101.3 | 53 | -167.6 | -78.5 | -87.1 | 0 | 0 | 0 | 112 | P165 | P165-F203 HydrophobicContact CB-CZ 4.47Š|
| 204 | S | 42.9 | Very low | 47 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | | | trans | -94 | 6.3 | -176.2 | -160.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 205 | R | 38.9 | Very low | 47.4 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | | | trans | -143.4 | 58.6 | -177.6 | -151.1 | 173.4 | -178.4 | -171.2 | 1.4 | 114.4 | G207 M208 | R205-G207 PolarHBondContact O-N 3.36Å; R205-M208 VanDerWaalsContact CZ-SD 3.55Å |
| 206 | A | 46.1 | Very low | 47.8 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 33.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 207 | G | 45.9 | Very low | 48.9 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | -14.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | R205 | R205-G207 PolarHBondContact O-N 3.36Š|
| 208 | M | 41.1 | Very low | 50 | Low | 129 Ų | 129 | 112.8 Ų | 112.8 | 64% | 0.635 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -102.7 | 2.9 | -177.9 | -76.6 | 173.8 | 157.4 | 0 | 0 | 113.5 | R205 | R205-M208 VanDerWaalsContact CZ-SD 3.55Š|
| 209 | S | 48.6 | Very low | 50.8 | Low | 50 Ų | 50 | 111.3 Ų | 111.3 | 35% | 0.35 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -80.4 | -18.3 | -174.7 | 32.9 | 0 | 0 | 0 | 0 | 115.2 | Y168 | Y168-S209 VanDerWaalsContact OH-C 3.29Å; Y168-S209 WeakPolarHBondContact OH-CA 3.41Å; Y168-S209 WeakPolarHBondContact OH-CB 3.41Å; Y168-S209 PolarHBondContact OH-O 3.24Å |
| 210 | S | 52.5 | Low | 52 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -82.8 | -41.2 | -172.6 | 175.5 | 0 | 0 | 0 | 0 | 114.3 | R212 A213 L214 | S210-R212 PolarHBondContact O-N 2.87Å; S210-A213 PolarHBondContact O-N 3.02Å; S210-L214 WeakPolarHBondContact O-CG 3.34Å; S210-L214 PolarHBondContact O-N 3.21Å |
| 211 | R | 48.6 | Very low | 53.4 | Low | 204 Ų | 204 | 101.8 Ų | 101.8 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.5 | -40.2 | -175.1 | -63.5 | -177.2 | -175 | -163.3 | -0.2 | 113.2 | L214 F215 | R211-L214 PolarHBondContact O-N 3.48Å; R211-F215 WeakPolarHBondContact O-CD2 3.34Å; R211-F215 PolarHBondContact O-N 3.13Å |
| 212 | R | 44.3 | Very low | 54.7 | Low | 199 Ų | 199 | 103 Ų | 103 | 75% | 0.751 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -71.2 | -32.6 | -179.2 | -72.7 | -177.1 | 167.8 | -174 | -3.6 | 113.2 | S210 L216 | S210-R212 PolarHBondContact O-N 2.87Å; R212-L216 PolarHBondContact O-N 3.42Å |
| 213 | A | 59.8 | Low | 56.3 | Low | 11 Ų | 11 | 99.6 Ų | 99.6 | 9% | 0.091 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -63.5 | -54.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y168 L171 S210 F215 L216 A217 | Y168-A213 HydrophobicContact CE1-CB 4.4Å; L171-A213 HydrophobicContact CD1-CB 3.74Å; L171-A213 HydrophobicContact CD2-CB 4Å; L171-A213 WeakPolarHBondContact CD2-O 3.2Å; L171-A213 HydrophobicContact CG-CB 4.5Å; S210-A213 PolarHBondContact O-N 3.02Å; A213-F215 VanDerWaalsContact C-N 3.27Å; A213-F215 PolarHBondContact O-N 3.47Å; A213-F215 VanDerWaalsContact O-N 3.13Å; A213-L216 PolarHBondContact O-N 3.4Å; A213-A217 PolarHBondContact O-N 3.44Å |
| 214 | L | 61.6 | Low | 57.5 | Low | 112 Ų | 112 | 91.9 Ų | 91.9 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -55.9 | -37 | 179.6 | -67.7 | 172.9 | 0 | 0 | 0 | 113.9 | S210 R211 A217 A218 | S210-L214 WeakPolarHBondContact O-CG 3.34Å; S210-L214 PolarHBondContact O-N 3.21Å; R211-L214 PolarHBondContact O-N 3.48Å; L214-A217 PolarHBondContact O-N 3.48Å; L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.01Å |
| 215 | F | 53.5 | Low | 59.4 | Low | 139 Ų | 139 | 90.1 Ų | 90.1 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 173.4 | -81.1 | -69.4 | 0 | 0 | 0 | 113.7 | R211 A213 A218 L219 | R211-F215 WeakPolarHBondContact O-CD2 3.34Å; R211-F215 PolarHBondContact O-N 3.13Å; A213-F215 VanDerWaalsContact C-N 3.27Å; A213-F215 PolarHBondContact O-N 3.47Å; A213-F215 VanDerWaalsContact O-N 3.13Å; F215-A218 PolarHBondContact O-N 3.44Å; F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.16Å |
| 216 | L | 57.7 | Low | 61.5 | Low | 91 Ų | 91 | 83.2 Ų | 83.2 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -37.8 | 175.2 | -76.2 | 164.1 | 0 | 0 | 0 | 111.9 | L171 R212 A213 S220 | L171-L216 HydrophobicContact CD2-CB 3.99Å; R212-L216 PolarHBondContact O-N 3.42Å; A213-L216 PolarHBondContact O-N 3.4Å; L216-S220 WeakPolarHBondContact O-CB 2.76Å; L216-S220 PolarHBondContact O-N 3.39Å |
| 217 | A | 64.3 | Low | 63.2 | Low | 22 Ų | 22 | 81.8 Ų | 81.8 | 18% | 0.182 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L171 A213 L214 L219 S220 I221 | L171-A217 HydrophobicContact CD2-CB 3.51Å; L171-A217 HydrophobicContact CG-CB 4.45Å; A213-A217 PolarHBondContact O-N 3.44Å; L214-A217 PolarHBondContact O-N 3.48Å; A217-L219 PolarHBondContact O-N 3.25Å; A217-S220 WeakPolarHBondContact O-CB 3.44Å; A217-S220 PolarHBondContact O-N 3.4Å; A217-I221 WeakPolarHBondContact O-CD1 3.22Å; A217-I221 VanDerWaalsContact O-CG1 3.27Å; A217-I221 WeakPolarHBondContact O-CG1 3.29Å; A217-I221 PolarHBondContact O-N 2.96Å |
| 218 | A | 68.5 | Low | 65 | Low | 48 Ų | 48 | 86.4 Ų | 86.4 | 40% | 0.397 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L214 F215 I221 T222 | L214-A218 VanDerWaalsContact O-CB 3.28Å; L214-A218 WeakPolarHBondContact O-CB 3.35Å; L214-A218 PolarHBondContact O-N 3.01Å; F215-A218 PolarHBondContact O-N 3.44Å; A218-I221 PolarHBondContact O-N 3.05Å; A218-T222 PolarHBondContact O-N 3.38Å; A218-T222 PolarHBondContact O-OG1 3.02Å |
| 219 | L | 61.6 | Low | 67.2 | Low | 107 Ų | 107 | 84 Ų | 84 | 56% | 0.56 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.6 | -36.9 | 174.9 | -70 | 174.4 | 0 | 0 | 0 | 111.9 | F215 A217 I221 T222 V223 | F215-L219 WeakPolarHBondContact O-CB 3.28Å; F215-L219 WeakPolarHBondContact O-CG 3.36Å; F215-L219 PolarHBondContact O-N 3.16Å; A217-L219 PolarHBondContact O-N 3.25Å; L219-I221 VanDerWaalsContact C-N 3.33Å; L219-I221 PolarHBondContact O-N 3.46Å; L219-T222 WeakPolarHBondContact CA-OG1 3.28Å; L219-T222 PolarHBondContact O-OG1 3.44Å; L219-V223 WeakPolarHBondContact O-CB 3.28Å; L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.47Å |
| 220 | S | 68.4 | Low | 69.1 | Low | 8 Ų | 8 | 83.5 Ų | 83.5 | 6% | 0.056 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 171.8 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | F174 S175 C178 L216 A217 G224 | F174-S220 PolarHBondContact O-OG 2.79Å; S175-S220 WeakPolarHBondContact CA-OG 3.27Å; C178-S220 VanDerWaalsContact CB-OG 3.27Å; C178-S220 WeakPolarHBondContact CB-OG 3.06Å; C178-S220 PolarHBondContact SG-O 2.8Å; L216-S220 WeakPolarHBondContact O-CB 2.76Å; L216-S220 PolarHBondContact O-N 3.39Å; A217-S220 WeakPolarHBondContact O-CB 3.44Å; A217-S220 PolarHBondContact O-N 3.4Å; S220-G224 PolarHBondContact O-N 2.92Å |
| 221 | I | 73.8 | Confident | 70.7 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 45% | 0.451 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67 | -45.5 | -178.3 | -69.5 | 162.2 | 0 | 0 | 0 | 111 | F174 A217 A218 L219 T225 | F174-I221 HydrophobicContact CE1-CG1 4.34Å; A217-I221 WeakPolarHBondContact O-CD1 3.22Å; A217-I221 VanDerWaalsContact O-CG1 3.27Å; A217-I221 WeakPolarHBondContact O-CG1 3.29Å; A217-I221 PolarHBondContact O-N 2.96Å; A218-I221 PolarHBondContact O-N 3.05Å; L219-I221 VanDerWaalsContact C-N 3.33Å; L219-I221 PolarHBondContact O-N 3.46Å; I221-T225 VanDerWaalsContact O-CB 3.24Å; I221-T225 WeakPolarHBondContact O-CB 3Å; I221-T225 PolarHBondContact O-N 3.49Å; I221-T225 PolarHBondContact O-OG1 3.23Å |
| 222 | T | 78.1 | Confident | 72.6 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | -179.9 | 37.6 | 0 | 0 | 0 | 0 | 112.5 | A218 L219 G226 | A218-T222 PolarHBondContact O-N 3.38Å; A218-T222 PolarHBondContact O-OG1 3.02Å; L219-T222 WeakPolarHBondContact CA-OG1 3.28Å; L219-T222 PolarHBondContact O-OG1 3.44Å; T222-G226 PolarHBondContact O-N 3.5Å |
| 223 | V | 74.8 | Confident | 74.8 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -44.5 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | L219 T225 G226 M227 | L219-V223 WeakPolarHBondContact O-CB 3.28Å; L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.47Å; V223-T225 VanDerWaalsContact C-N 3.34Å; V223-T225 PolarHBondContact O-N 3.05Å; V223-G226 PolarHBondContact O-N 3.13Å; V223-M227 WeakPolarHBondContact O-CB 3.21Å; V223-M227 PolarHBondContact O-N 3.44Å |
| 224 | G | 76.9 | Confident | 76.2 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 9% | 0.093 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C178 S220 Y228 | C178-G224 WeakPolarHBondContact O-CA 3.28Å; S220-G224 PolarHBondContact O-N 2.92Å; G224-Y228 WeakPolarHBondContact O-CB 3.01Å; G224-Y228 PolarHBondContact O-N 2.72Å |
| 225 | T | 81.3 | Confident | 77.5 | Confident | 78 Ų | 78 | 73.2 Ų | 73.2 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 177.5 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | I221 V223 Y228 V229 | I221-T225 VanDerWaalsContact O-CB 3.24Å; I221-T225 WeakPolarHBondContact O-CB 3Å; I221-T225 PolarHBondContact O-N 3.49Å; I221-T225 PolarHBondContact O-OG1 3.23Å; V223-T225 VanDerWaalsContact C-N 3.34Å; V223-T225 PolarHBondContact O-N 3.05Å; T225-Y228 PolarHBondContact O-N 3.48Å; T225-V229 HydrophobicContact CG2-CG2 4.42Å; T225-V229 WeakPolarHBondContact O-CB 2.96Å; T225-V229 VanDerWaalsContact O-CG2 3.28Å; T225-V229 WeakPolarHBondContact O-CG2 3.33Å; T225-V229 PolarHBondContact O-N 3.07Å |
| 226 | G | 83.1 | Confident | 79.3 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 49% | 0.485 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T222 V223 G230 | T222-G226 PolarHBondContact O-N 3.5Å; V223-G226 PolarHBondContact O-N 3.13Å; G226-G230 PolarHBondContact O-N 3.39Å |
| 227 | M | 83.7 | Confident | 80.7 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 34% | 0.335 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65 | -45.4 | 174.5 | -177 | -140.5 | 149.1 | 0 | 0 | 111.4 | F180 V223 V229 G230 V231 | F180-M227 HydrophobicContact CD2-CE 3.36Å; F180-M227 HydrophobicContact CD2-SD 4.32Å; F180-M227 HydrophobicContact CE2-CE 3.43Å; F180-M227 VanDerWaalsContact CE2-CE 3.43Å; V223-M227 WeakPolarHBondContact O-CB 3.21Å; V223-M227 PolarHBondContact O-N 3.44Å; M227-V229 PolarHBondContact O-N 2.83Å; M227-G230 PolarHBondContact O-N 3.31Å; M227-V231 HydrophobicContact CE-CG2 3.93Å; M227-V231 WeakPolarHBondContact O-CG2 3Å; M227-V231 PolarHBondContact O-N 3.2Å |
| 228 | Y | 81.8 | Confident | 81.9 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 65% | 0.647 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58.7 | -49.6 | 178.5 | 178.5 | -103.9 | 0 | 0 | 0 | 111.6 | G224 T225 G230 V231 V232 | G224-Y228 WeakPolarHBondContact O-CB 3.01Å; G224-Y228 PolarHBondContact O-N 2.72Å; T225-Y228 PolarHBondContact O-N 3.48Å; Y228-G230 VanDerWaalsContact C-N 3.33Å; Y228-G230 PolarHBondContact O-N 3.15Å; Y228-V231 PolarHBondContact O-N 3.19Å; Y228-V232 HydrophobicContact CE1-CG2 4.29Å; Y228-V232 HydrophobicContact CE2-CG2 4.39Å; Y228-V232 VanDerWaalsContact O-CG2 3.28Å; Y228-V232 WeakPolarHBondContact O-CG2 2.82Å; Y228-V232 PolarHBondContact O-N 3.38Å |
| 229 | V | 88.8 | Confident | 82.6 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 177 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | T225 M227 V231 V232 V233 | T225-V229 HydrophobicContact CG2-CG2 4.42Å; T225-V229 WeakPolarHBondContact O-CB 2.96Å; T225-V229 VanDerWaalsContact O-CG2 3.28Å; T225-V229 WeakPolarHBondContact O-CG2 3.33Å; T225-V229 PolarHBondContact O-N 3.07Å; M227-V229 PolarHBondContact O-N 2.83Å; V229-V231 PolarHBondContact O-N 3.07Å; V229-V232 PolarHBondContact O-N 3.5Å; V229-V233 HydrophobicContact CG1-CG2 4.26Å; V229-V233 VanDerWaalsContact O-CG2 3.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.4Å; V229-V233 PolarHBondContact O-N 3.12Å |
| 230 | G | 87.1 | Confident | 83.5 | Confident | 40 Ų | 40 | 79.4 Ų | 79.4 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G226 M227 Y228 V233 A234 | G226-G230 PolarHBondContact O-N 3.39Å; M227-G230 PolarHBondContact O-N 3.31Å; Y228-G230 VanDerWaalsContact C-N 3.33Å; Y228-G230 PolarHBondContact O-N 3.15Å; G230-V233 PolarHBondContact O-N 3.09Å; G230-A234 VanDerWaalsContact O-CB 3.25Å; G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 3.47Å |
| 231 | V | 86.4 | Confident | 83.9 | Confident | 78 Ų | 78 | 87 Ų | 87 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | M227 Y228 V229 A234 L235 | M227-V231 HydrophobicContact CE-CG2 3.93Å; M227-V231 WeakPolarHBondContact O-CG2 3Å; M227-V231 PolarHBondContact O-N 3.2Å; Y228-V231 PolarHBondContact O-N 3.19Å; V229-V231 PolarHBondContact O-N 3.07Å; V231-A234 PolarHBondContact O-N 3.19Å; V231-L235 VanDerWaalsContact O-CB 3.3Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 PolarHBondContact O-N 3.43Å |
| 232 | V | 88 | Confident | 83.5 | Confident | 56 Ų | 56 | 88 Ų | 88 | 34% | 0.339 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | Y228 V229 L235 I236 | Y228-V232 HydrophobicContact CE1-CG2 4.29Å; Y228-V232 HydrophobicContact CE2-CG2 4.39Å; Y228-V232 VanDerWaalsContact O-CG2 3.28Å; Y228-V232 WeakPolarHBondContact O-CG2 2.82Å; Y228-V232 PolarHBondContact O-N 3.38Å; V229-V232 PolarHBondContact O-N 3.5Å; V232-L235 PolarHBondContact O-N 2.88Å; V232-I236 HydrophobicContact CG1-CD1 3.77Å; V232-I236 WeakPolarHBondContact O-CD1 3.37Å; V232-I236 VanDerWaalsContact O-CG1 3.24Å; V232-I236 WeakPolarHBondContact O-CG1 3.18Å; V232-I236 PolarHBondContact O-N 3.33Å |
| 233 | V | 91.4 | Very high | 82.7 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | V229 G230 L235 I236 A237 | V229-V233 HydrophobicContact CG1-CG2 4.26Å; V229-V233 VanDerWaalsContact O-CG2 3.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.4Å; V229-V233 PolarHBondContact O-N 3.12Å; G230-V233 PolarHBondContact O-N 3.09Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.19Å; V233-I236 PolarHBondContact O-N 3.28Å; V233-A237 VanDerWaalsContact O-CB 3.29Å; V233-A237 WeakPolarHBondContact O-CB 3.22Å; V233-A237 PolarHBondContact O-N 3.03Å |
| 234 | A | 88.6 | Confident | 81.6 | Confident | 60 Ų | 60 | 92 Ų | 92 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G230 V231 A237 Y238 | G230-A234 VanDerWaalsContact O-CB 3.25Å; G230-A234 WeakPolarHBondContact O-CB 3.42Å; G230-A234 PolarHBondContact O-N 3.47Å; V231-A234 PolarHBondContact O-N 3.19Å; A234-A237 PolarHBondContact O-N 3.48Å; A234-Y238 WeakPolarHBondContact O-CB 3.31Å; A234-Y238 PolarHBondContact O-N 3.46Å |
| 235 | L | 89.3 | Confident | 80 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -45.1 | 176.1 | -173.3 | 67.6 | 0 | 0 | 0 | 111.2 | V231 V232 V233 Y238 L239 | V231-L235 VanDerWaalsContact O-CB 3.3Å; V231-L235 WeakPolarHBondContact O-CB 3.49Å; V231-L235 PolarHBondContact O-N 3.43Å; V232-L235 PolarHBondContact O-N 2.88Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-L235 PolarHBondContact O-N 3.19Å; L235-Y238 PolarHBondContact O-N 3.31Å; L235-L239 HydrophobicContact CD1-CD1 4.46Å; L235-L239 HydrophobicContact CG-CD1 4.13Å; L235-L239 WeakPolarHBondContact O-CB 3.44Å; L235-L239 VanDerWaalsContact O-CG 3.25Å; L235-L239 WeakPolarHBondContact O-CG 3.4Å; L235-L239 PolarHBondContact O-N 3.31Å |
| 236 | I | 90.7 | Very high | 80 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.9 | -45.2 | 176.3 | -65.9 | 163.5 | 0 | 0 | 0 | 109.9 | V232 V233 Y238 L239 S240 | V232-I236 HydrophobicContact CG1-CD1 3.77Å; V232-I236 WeakPolarHBondContact O-CD1 3.37Å; V232-I236 VanDerWaalsContact O-CG1 3.24Å; V232-I236 WeakPolarHBondContact O-CG1 3.18Å; V232-I236 PolarHBondContact O-N 3.33Å; V233-I236 PolarHBondContact O-N 3.28Å; I236-Y238 VanDerWaalsContact C-N 3.33Å; I236-Y238 PolarHBondContact O-N 2.74Å; I236-L239 PolarHBondContact O-N 3.05Å; I236-S240 WeakPolarHBondContact O-CA 3.09Å; I236-S240 WeakPolarHBondContact O-CB 3.33Å; I236-S240 PolarHBondContact O-N 3.26Å; I236-S240 PolarHBondContact O-OG 2.83Å |
| 237 | A | 88.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -36.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V233 A234 S240 K241 | V233-A237 VanDerWaalsContact O-CB 3.29Å; V233-A237 WeakPolarHBondContact O-CB 3.22Å; V233-A237 PolarHBondContact O-N 3.03Å; A234-A237 PolarHBondContact O-N 3.48Å; A237-S240 CarbonylContact O-C 3.6Å; A237-S240 PolarHBondContact O-N 3.28Å; A237-K241 PolarHBondContact O-N 3.5Å |
| 238 | Y | 88.1 | Confident | 79.6 | Confident | 179 Ų | 179 | 107.3 Ų | 107.3 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.3 | -45.5 | 175.4 | -179.3 | -99.8 | 0 | 0 | 0 | 111.6 | A234 L235 I236 S240 K241 | A234-Y238 WeakPolarHBondContact O-CB 3.31Å; A234-Y238 PolarHBondContact O-N 3.46Å; L235-Y238 PolarHBondContact O-N 3.31Å; I236-Y238 VanDerWaalsContact C-N 3.33Å; I236-Y238 PolarHBondContact O-N 2.74Å; Y238-S240 VanDerWaalsContact C-N 3.33Å; Y238-K241 PolarHBondContact O-N 2.87Å |
| 239 | L | 83.9 | Confident | 79.5 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.2 | -29.5 | 176.5 | -65.7 | 173.7 | 0 | 0 | 0 | 112.5 | L235 I236 K241 | L235-L239 HydrophobicContact CD1-CD1 4.46Å; L235-L239 HydrophobicContact CG-CD1 4.13Å; L235-L239 WeakPolarHBondContact O-CB 3.44Å; L235-L239 VanDerWaalsContact O-CG 3.25Å; L235-L239 WeakPolarHBondContact O-CG 3.4Å; L235-L239 PolarHBondContact O-N 3.31Å; I236-L239 PolarHBondContact O-N 3.05Å; L239-K241 VanDerWaalsContact C-N 3.26Å |
| 240 | S | 80.5 | Confident | 78.9 | Confident | 83 Ų | 83 | 105.6 Ų | 105.6 | 58% | 0.58 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -6.2 | 177 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | I236 A237 Y238 P242 | I236-S240 WeakPolarHBondContact O-CA 3.09Å; I236-S240 WeakPolarHBondContact O-CB 3.33Å; I236-S240 PolarHBondContact O-N 3.26Å; I236-S240 PolarHBondContact O-OG 2.83Å; A237-S240 CarbonylContact O-C 3.6Å; A237-S240 PolarHBondContact O-N 3.28Å; Y238-S240 VanDerWaalsContact C-N 3.33Å; S240-P242 WeakPolarHBondContact O-CD 3.37Å |
| 241 | K | 77.3 | Confident | 78.3 | Confident | 167 Ų | 167 | 109.9 Ų | 109.9 | 73% | 0.726 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -84.3 | 97.6 | 168.5 | -143 | 170.9 | -175.5 | 166.5 | 0 | 105.8 | A237 Y238 L239 G243 | A237-K241 PolarHBondContact O-N 3.5Å; Y238-K241 PolarHBondContact O-N 2.87Å; L239-K241 VanDerWaalsContact C-N 3.26Å; K241-G243 PolarHBondContact O-N 3.03Å; K241-G243 VanDerWaalsContact O-N 3.1Å |
| 242 | P | 64.2 | Low | 77.8 | Confident | 108 Ų | 108 | 112.2 Ų | 112.2 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | | | trans | -57.9 | 124.8 | 170.9 | 26.7 | -33.6 | 0 | 0 | 0 | 106.2 | S240 H244 | S240-P242 WeakPolarHBondContact O-CD 3.37Å; P242-H244 VanDerWaalsContact C-N 3.32Å; P242-H244 PolarHBondContact O-N 3.04Å |
| 243 | G | 61.5 | Low | 77 | Confident | 77 Ų | 77 | 116.5 Ų | 116.5 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | | | trans | -49.5 | 104.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | K241 V245 | K241-G243 PolarHBondContact O-N 3.03Å; K241-G243 VanDerWaalsContact O-N 3.1Å; G243-V245 PolarHBondContact O-N 3.22Å |
| 244 | H | 53.2 | Low | 75.8 | Confident | 177 Ų | 177 | 119 Ų | 119 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | | | trans | -76.7 | 106.4 | 163.5 | -155.2 | 93.7 | 0 | 0 | 0 | 103.6 | P242 | P242-H244 VanDerWaalsContact C-N 3.32Å; P242-H244 PolarHBondContact O-N 3.04Å |
| 245 | V | 43.2 | Very low | 74.6 | Confident | 202 Ų | 202 | 124.4 Ų | 124.4 | 100% | 1.224 | 70% | 0.697 | S | S | * | * | | | trans | 82.5 | 0 | 174.9 | -52.4 | 0 | 0 | 0 | 0 | 118.5 | G243 | G243-V245 PolarHBondContact O-N 3.22Š|