| 1 | M | 38.8 | Very low | 40.7 | Very low | 221 Ų | 221 | 147.8 Ų | 147.8 | 100% | 1.089 | 76% | 0.761 | S | S | * | * | | | | 0 | 88.1 | 0 | -58.5 | 72.4 | 175.7 | 0 | 0 | 105.8 | | |
| 2 | N | 34 | Very low | 40.1 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | | 76.8 | 112.4 | 92.4 | -78.7 | 91.5 | 0 | 0 | 0 | 111.1 | | |
| 3 | E | 41 | Very low | 39.6 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | | | cis | 62.7 | 134.2 | 25.3 | -50.7 | -175.9 | 84.8 | 0 | 0 | 116.5 | | |
| 4 | N | 37.6 | Very low | 39.1 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | trans | 63.7 | 129.4 | -179.4 | -70.7 | -43.7 | 0 | 0 | 0 | 115.1 | | |
| 5 | N | 38.3 | Very low | 38.7 | Very low | 169 Ų | 169 | 148 Ų | 148 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | | | | -121.2 | 148.2 | 51.2 | -128.2 | -111.9 | 0 | 0 | 0 | 115.8 | | |
| 6 | H | 43.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | | | trans | -114.6 | 171.3 | -173.5 | -141.1 | -112.6 | 0 | 0 | 0 | 111.4 | | |
| 7 | E | 39.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 66% | 0.659 | 75% | 0.751 | S | S | * | * | | | trans | 62.5 | 178 | 165.2 | -101.9 | 131.9 | 81.8 | 0 | 0 | 116.6 | | |
| 8 | F | 32.7 | Very low | 38.5 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | cis | -137.8 | 125 | 1.8 | -143.6 | -61.8 | 0 | 0 | 0 | 111.8 | P10 | F8-P10 HydrophobicContact CE1-CB 4.49Š|
| 9 | L | 41.3 | Very low | 38.4 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -145.3 | 125.3 | 157.2 | -79.1 | -178.2 | 0 | 0 | 0 | 109.4 | | |
| 10 | P | 40.2 | Very low | 38.2 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | -84.7 | 153.6 | -172.2 | 33.1 | -35.9 | 0 | 0 | 0 | 113.9 | F8 | F8-P10 HydrophobicContact CE1-CB 4.49Š|
| 11 | P | 60.9 | Low | 38.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | trans | -88.7 | -175.3 | 171.9 | 37.9 | -36.3 | 0 | 0 | 0 | 112.8 | | |
| 12 | N | 33.1 | Very low | 37.9 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | | | trans | 94.8 | 147.1 | 175.4 | -60.7 | -55.1 | 0 | 0 | 0 | 116.2 | | |
| 13 | H | 34.6 | Very low | 38 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | cis | -150.6 | 140.3 | -1 | -121.9 | -44.7 | 0 | 0 | 0 | 110.9 | | |
| 14 | S | 31.8 | Very low | 37.8 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | 55.7 | 172.7 | 139.2 | -59.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 15 | Y | 34 | Very low | 37.7 | Very low | 210 Ų | 210 | 124.6 Ų | 124.6 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | cis | -178.8 | 103.8 | -44.8 | -168.2 | -86.6 | 0 | 0 | 0 | 108.3 | | |
| 16 | T | 37.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -167.2 | 146.9 | 165 | 28.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 17 | G | 37 | Very low | 37.3 | Very low | 58 Ų | 58 | 117.8 Ų | 117.8 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | | | cis | 125 | 60.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 18 | Q | 38 | Very low | 37.1 | Very low | 178 Ų | 178 | 114.7 Ų | 114.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -175.5 | 128.3 | 159.4 | -101.4 | 151.3 | 87.4 | 0 | 0 | 106.7 | | |
| 19 | T | 35.2 | Very low | 37.3 | Very low | 138 Ų | 138 | 111.8 Ų | 111.8 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | | | cis | 85.7 | 120.2 | 40.3 | 66.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 20 | G | 34 | Very low | 36.9 | Very low | 72 Ų | 72 | 107.9 Ų | 107.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 117.9 | 151.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 21 | S | 37.3 | Very low | 36.8 | Very low | 126 Ų | 126 | 110 Ų | 110 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | | | cis | 177.4 | 144 | -34.1 | -105.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 22 | G | 34.9 | Very low | 35.6 | Very low | 86 Ų | 86 | 110.7 Ų | 110.7 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | 76.5 | 152.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 23 | G | 35.8 | Very low | 35.9 | Very low | 84 Ų | 84 | 110.8 Ų | 110.8 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | | | cis | 144 | 153.7 | 12.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 24 | G | 36.3 | Very low | 36 | Very low | 81 Ų | 81 | 107 Ų | 107 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | | | cis | 158.7 | 116.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 25 | G | 35 | Very low | 36.2 | Very low | 85 Ų | 85 | 109.5 Ų | 109.5 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | | | trans | 97.9 | 163 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 26 | G | 38.8 | Very low | 36.5 | Very low | 80 Ų | 80 | 103.3 Ų | 103.3 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | | | cis | 149.3 | 108.2 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 27 | G | 35 | Very low | 36.7 | Very low | 85 Ų | 85 | 102.9 Ų | 102.9 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | | | trans | 84 | 160.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 28 | G | 35.5 | Very low | 36.7 | Very low | 76 Ų | 76 | 103 Ų | 103 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | | | cis | 154 | 115.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 29 | G | 35.9 | Very low | 36.8 | Very low | 92 Ų | 92 | 103 Ų | 103 | 95% | 0.948 | 84% | 0.841 | S | S | * | * | | | trans | 67.6 | 116.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 30 | G | 33.2 | Very low | 37.2 | Very low | 82 Ų | 82 | 104.4 Ų | 104.4 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | | | trans | -177.4 | 109.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 31 | T | 38 | Very low | 37.7 | Very low | 146 Ų | 146 | 107.2 Ų | 107.2 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -91.5 | 139.3 | -177.2 | 50.1 | 0 | 0 | 0 | 0 | 113 | | |
| 32 | S | 37.1 | Very low | 38 | Very low | 121 Ų | 121 | 111.8 Ų | 111.8 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -151.3 | 141 | 155.8 | 57 | 0 | 0 | 0 | 0 | 110.9 | | |
| 33 | S | 39.6 | Very low | 38.6 | Very low | 132 Ų | 132 | 115.4 Ų | 115.4 | 92% | 0.923 | 83% | 0.829 | S | S | * | * | | | trans | -82.3 | 151.8 | -168.3 | -48.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 34 | G | 35.4 | Very low | 39.4 | Very low | 72 Ų | 72 | 118.5 Ų | 118.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | -153.2 | 129.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 35 | N | 36 | Very low | 40 | Very low | 156 Ų | 156 | 119.1 Ų | 119.1 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -52.7 | 141.1 | -168 | -72.9 | 2.9 | 0 | 0 | 0 | 114.4 | | |
| 36 | G | 39.8 | Very low | 40.6 | Very low | 79 Ų | 79 | 120.6 Ų | 120.6 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | -78.9 | 140.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 37 | T | 42.2 | Very low | 41 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | -129.5 | 142.2 | 163.2 | 48.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 38 | G | 37.2 | Very low | 41.7 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | -65.5 | 157.5 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E40 | G38-E40 PolarHBondContact O-N 3.03Š|
| 39 | D | 41.2 | Very low | 42.5 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 95% | 0.952 | 80% | 0.795 | S | S | * | * | | | trans | -73.4 | 94.1 | 158 | -137.3 | -94.3 | 0 | 0 | 0 | 106 | D41 | D39-D41 PolarHBondContact O-N 3.32Š|
| 40 | E | 43.2 | Very low | 43 | Very low | 166 Ų | 166 | 129 Ų | 129 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -83.8 | 100.4 | -176.1 | -62.4 | -157.1 | 142.6 | 0 | 0 | 110.2 | G38 Y42 | G38-E40 PolarHBondContact O-N 3.03Å; E40-Y42 PolarHBondContact O-N 2.8Å |
| 41 | D | 43.9 | Very low | 43.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | -55.1 | 122.7 | 172.6 | -172.4 | -82.9 | 0 | 0 | 0 | 110.5 | D39 E43 | D39-D41 PolarHBondContact O-N 3.32Å; D41-E43 PolarHBondContact O-N 2.98Å; D41-E43 VanDerWaalsContact OD1-CA 3.3Å; D41-E43 WeakPolarHBondContact OD1-CA 3.32Å; D41-E43 WeakPolarHBondContact OD1-CB 3.36Å; D41-E43 PolarHBondContact OD1-N 3.17Å |
| 42 | Y | 44.3 | Very low | 43.4 | Very low | 222 Ų | 222 | 133.1 Ų | 133.1 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | | | trans | -83 | 69.7 | 173.1 | -99.6 | -84.5 | 0 | 0 | 0 | 109.7 | E40 I44 | E40-Y42 PolarHBondContact O-N 2.8Å; Y42-I44 PolarHBondContact O-N 2.83Å |
| 43 | E | 47.2 | Very low | 43.6 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -62.4 | 107.5 | 179.5 | -157.8 | -176.6 | 104 | 0 | 0 | 109 | D41 P45 | D41-E43 PolarHBondContact O-N 2.98Å; D41-E43 VanDerWaalsContact OD1-CA 3.3Å; D41-E43 WeakPolarHBondContact OD1-CA 3.32Å; D41-E43 WeakPolarHBondContact OD1-CB 3.36Å; D41-E43 PolarHBondContact OD1-N 3.17Å; E43-P45 VanDerWaalsContact O-CD 3.29Å; E43-P45 WeakPolarHBondContact O-CD 3.45Å |
| 44 | I | 52.8 | Low | 43.8 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -76.7 | 114 | 179.8 | -58.5 | 175.3 | 0 | 0 | 0 | 107.4 | Y42 | Y42-I44 PolarHBondContact O-N 2.83Š|
| 45 | P | 49.2 | Very low | 44 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | trans | -63.8 | 142.4 | -176.3 | 26 | -34.5 | 0 | 0 | 0 | 110.8 | E43 I47 | E43-P45 VanDerWaalsContact O-CD 3.29Å; E43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-I47 PolarHBondContact O-N 3.11Å |
| 46 | P | 48 | Very low | 44.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -63.1 | 125.3 | -176.7 | 25 | -33.8 | 0 | 0 | 0 | 111 | T48 | P46-T48 PolarHBondContact O-N 3.35Š|
| 47 | I | 47.3 | Very low | 44.3 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | -76.7 | 90.4 | -179.9 | -50 | 175.5 | 0 | 0 | 0 | 108.9 | P45 P49 | P45-I47 PolarHBondContact O-N 3.11Å; I47-P49 WeakPolarHBondContact O-CD 3.37Å |
| 48 | T | 49.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 119.5 | 171.4 | -54 | 0 | 0 | 0 | 0 | 109.5 | P46 | P46-T48 PolarHBondContact O-N 3.35Š|
| 49 | P | 51 | Low | 44.2 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 143.7 | 178.1 | 27.9 | -33.9 | 0 | 0 | 0 | 110.4 | I47 N51 | I47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-N51 PolarHBondContact O-N 3.26Å |
| 50 | P | 46.7 | Very low | 43.8 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132 | 178.4 | 26.5 | -33.7 | 0 | 0 | 0 | 110.6 | H52 | P50-H52 PolarHBondContact O-N 3.43Š|
| 51 | N | 40.9 | Very low | 43.5 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 120.9 | 179.8 | -168.3 | -50.4 | 0 | 0 | 0 | 109.9 | P49 | P49-N51 PolarHBondContact O-N 3.26Š|
| 52 | H | 38.3 | Very low | 42.9 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -106.8 | 131.3 | 175.1 | -169 | -70.8 | 0 | 0 | 0 | 109.2 | P50 | P50-H52 PolarHBondContact O-N 3.43Š|
| 53 | P | 42.3 | Very low | 42.6 | Very low | 98 Ų | 98 | 143 Ų | 143 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.3 | 178.9 | 26.8 | -34.9 | 0 | 0 | 0 | 111.8 | | |
| 54 | E | 42.2 | Very low | 41.8 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 129.3 | 178.2 | -62.4 | 179.7 | 102.1 | 0 | 0 | 111.7 | | |
| 55 | P | 40.6 | Very low | 41.2 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -78 | 148.8 | 152.7 | 33.1 | -30.6 | 0 | 0 | 0 | 109.9 | | |
| 56 | P | 43 | Very low | 40.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 151.2 | -160.5 | 28.7 | -36.6 | 0 | 0 | 0 | 115.1 | L58 | P56-L58 PolarHBondContact O-N 2.89Š|
| 57 | L | 38.2 | Very low | 39.9 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 120.6 | 168.8 | -66.2 | 167.1 | 0 | 0 | 0 | 111.4 | | |
| 58 | L | 38 | Very low | 39.3 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | | | trans | -92.6 | 108 | 151.4 | -71.8 | -177.2 | 0 | 0 | 0 | 108 | P56 | P56-L58 PolarHBondContact O-N 2.89Š|
| 59 | H | 40.5 | Very low | 38.7 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 147.9 | -176.7 | -165.4 | 83.3 | 0 | 0 | 0 | 111.3 | M61 | H59-M61 PolarHBondContact O-N 2.94Š|
| 60 | L | 32.8 | Very low | 37.7 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | | | trans | -65.1 | 120 | 177.8 | -173.6 | 70.3 | 0 | 0 | 0 | 109.9 | E62 | L60-E62 PolarHBondContact O-N 2.93Š|
| 61 | M | 35.6 | Very low | 37.1 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -84 | 101.2 | 163.7 | -93.9 | -172.2 | 65.9 | 0 | 0 | 109.4 | H59 H63 | H59-M61 PolarHBondContact O-N 2.94Å; M61-H63 PolarHBondContact O-N 3.23Å |
| 62 | E | 33 | Very low | 36.7 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -60.8 | 122.9 | 165.4 | -172.7 | 171.9 | 105.2 | 0 | 0 | 109.5 | L60 | L60-E62 PolarHBondContact O-N 2.93Š|
| 63 | H | 36.8 | Very low | 36.7 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -107.8 | 94.5 | 175.6 | -112.8 | -76.3 | 0 | 0 | 0 | 109.4 | M61 | M61-H63 PolarHBondContact O-N 3.23Š|
| 64 | D | 30.5 | Very low | 37.1 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | | | trans | -69 | 146.9 | 171.6 | -177.8 | -133.4 | 0 | 0 | 0 | 111.9 | T66 | D64-T66 PolarHBondContact O-N 3.19Š|
| 65 | S | 39.3 | Very low | 36.7 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | -5.5 | 109.3 | 159.3 | -49 | 0 | 0 | 0 | 0 | 117.4 | | |
| 66 | T | 37.5 | Very low | 36.2 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | trans | -160.2 | 127.4 | 143.4 | 0.5 | 0 | 0 | 0 | 0 | 113.5 | D64 | D64-T66 PolarHBondContact O-N 3.19Š|
| 67 | G | 33.4 | Very low | 35.7 | Very low | 57 Ų | 57 | 141.6 Ų | 141.6 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | | | trans | 107 | 95.9 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 68 | Y | 35.6 | Very low | 35.8 | Very low | 215 Ų | 215 | 142.4 Ų | 142.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | 63.5 | 114 | 132.8 | -56.2 | -68.9 | 0 | 0 | 0 | 122.5 | | |
| 69 | L | 36 | Very low | 35.8 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | | | | 50.4 | 114.5 | 123.5 | -60.7 | 172.6 | 0 | 0 | 0 | 119.4 | | |
| 70 | C | 30.2 | Very low | 35.3 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 92% | 0.919 | 78% | 0.775 | S | S | * | * | | | trans | -122.8 | 114.5 | 149.3 | -138.5 | 0 | 0 | 0 | 0 | 109 | | |
| 71 | H | 34 | Very low | 36 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | -84.9 | 147.2 | 180 | -73.9 | -64.7 | 0 | 0 | 0 | 111.8 | | |
| 72 | S | 33.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -76.3 | 147.7 | 169 | -39.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 73 | L | 37.7 | Very low | 35.6 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | -176.9 | 169.4 | 142.9 | -114.9 | 74.4 | 0 | 0 | 0 | 109 | | |
| 74 | P | 49.7 | Very low | 35.4 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | | -144.3 | -176.6 | -128.8 | 41 | -18 | 0 | 0 | 0 | 118.2 | | |
| 75 | H | 34.1 | Very low | 35.5 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 81 | 160.8 | 143.3 | -141.3 | 72.2 | 0 | 0 | 0 | 120.5 | | |
| 76 | N | 31.6 | Very low | 35.1 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | 66.4 | 132.7 | -178.9 | -75 | -25.6 | 0 | 0 | 0 | 118.2 | | |
| 77 | G | 32.4 | Very low | 35.1 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | cis | 175.3 | -177.4 | -7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 78 | L | 39.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 94% | 0.937 | 78% | 0.78 | S | S | * | * | | | trans | 65.9 | 94.5 | 170.2 | -56.3 | -179.3 | 0 | 0 | 0 | 117.8 | | |
| 79 | I | 37.5 | Very low | 36.1 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | | | trans | -111.3 | 136.3 | 153.1 | -53.8 | 169.2 | 0 | 0 | 0 | 107.1 | | |
| 80 | N | 30.8 | Very low | 36.5 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -154.7 | 165.3 | 159.7 | -132.7 | 10.7 | 0 | 0 | 0 | 108.9 | | |
| 81 | P | 48.3 | Very low | 37.3 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 55% | 0.552 | 79% | 0.785 | S | S | * | * | | | | -126.7 | 172.7 | -106.1 | 37.7 | -21.7 | 0 | 0 | 0 | 113.6 | | |
| 82 | Y | 30.2 | Very low | 37.4 | Very low | 224 Ų | 224 | 147.1 Ų | 147.1 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | | | | 178.4 | 142.6 | 118.6 | -113 | -83.4 | 0 | 0 | 0 | 114.1 | | |
| 83 | S | 29.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 65.6 | 153 | 160.2 | -141 | 0 | 0 | 0 | 0 | 120 | | |
| 84 | Y | 31.2 | Very low | 37.8 | Very low | 204 Ų | 204 | 146.7 Ų | 146.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -160.6 | 135.4 | -167.9 | -170.3 | -81.4 | 0 | 0 | 0 | 110.6 | | |
| 85 | T | 33.2 | Very low | 37.3 | Very low | 128 Ų | 128 | 150 Ų | 150 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -176.3 | 142.7 | 162.1 | 32.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 86 | E | 31.1 | Very low | 37.8 | Very low | 143 Ų | 143 | 150 Ų | 150 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | | | cis | -169.2 | 132.9 | -15.7 | 179.7 | -159.7 | 120 | 0 | 0 | 106.5 | | |
| 87 | L | 37.3 | Very low | 38.2 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -162.6 | 121.1 | 150.3 | -89 | -162.4 | 0 | 0 | 0 | 110 | | |
| 88 | P | 50.3 | Low | 38.3 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | | | trans | -76.8 | 142.7 | 178 | -18.9 | 33.3 | 0 | 0 | 0 | 114.8 | L90 | P88-L90 PolarHBondContact O-N 3.09Š|
| 89 | T | 39.1 | Very low | 38 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | | | trans | -72.4 | 111.4 | 170.9 | -50.3 | 0 | 0 | 0 | 0 | 111.2 | M91 | T89-M91 PolarHBondContact O-N 3.3Š|
| 90 | L | 44.3 | Very low | 37.8 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -80 | 107 | 172.6 | -85 | 168.6 | 0 | 0 | 0 | 111.6 | P88 | P88-L90 PolarHBondContact O-N 3.09Š|
| 91 | M | 48.5 | Very low | 38.2 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -67.6 | 134.7 | 163.3 | -75 | -176.2 | 168.8 | 0 | 0 | 110.3 | T89 S93 | T89-M91 PolarHBondContact O-N 3.3Å; M91-S93 PolarHBondContact O-N 2.59Å |
| 92 | M | 36 | Very low | 37.9 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -90 | 96.9 | -177.7 | -166.7 | 156.7 | 65 | 0 | 0 | 110.9 | | |
| 93 | S | 35.8 | Very low | 38.1 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -95.5 | 130.6 | -178.1 | -65 | 0 | 0 | 0 | 0 | 112.6 | M91 | M91-S93 PolarHBondContact O-N 2.59Š|
| 94 | N | 42.8 | Very low | 38.2 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -72.1 | 131.3 | 170.4 | -69.1 | -42.7 | 0 | 0 | 0 | 110.9 | | |
| 95 | M | 39.7 | Very low | 38.3 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | | | trans | -137.8 | 130.2 | 161.5 | -92.8 | -63.9 | -68.2 | 0 | 0 | 109.1 | | |
| 96 | L | 44.3 | Very low | 38.2 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -127.9 | 119.9 | -172.6 | -178 | 69.8 | 0 | 0 | 0 | 110.9 | | |
| 97 | A | 39.4 | Very low | 38.4 | Very low | 82 Ų | 82 | 148.3 Ų | 148.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | 69.7 | 157.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 98 | Q | 35 | Very low | 38.7 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | 71.1 | 136.3 | 176.2 | -52.5 | -166 | -0.4 | 0 | 0 | 115.7 | | |
| 99 | D | 34 | Very low | 37.9 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | cis | -136 | 169.9 | -3.5 | -172.9 | -137.7 | 0 | 0 | 0 | 111.9 | | |
| 100 | S | 33.9 | Very low | 37.6 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 54% | 0.538 | 82% | 0.815 | S | S | . | * | | | trans | -8 | 132.6 | 159.2 | -54.9 | 0 | 0 | 0 | 0 | 118 | | |
| 101 | H | 38.8 | Very low | 37.3 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | | -171 | 164.3 | 116 | -87.1 | -43.8 | 0 | 0 | 0 | 111.1 | | |
| 102 | L | 41.2 | Very low | 36.5 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -93.5 | 127.6 | -163.7 | -62 | 169.4 | 0 | 0 | 0 | 113.1 | | |
| 103 | V | 35.1 | Very low | 36.4 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -133.1 | 113.7 | 156.4 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 104 | S | 32.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -117.9 | 124.2 | 159.9 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 105 | S | 31.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -150.4 | 102.6 | 170.3 | -83.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 106 | Q | 31.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 156.6 | 170.7 | -171.6 | 169.4 | -0.2 | 0 | 0 | 109.7 | | |
| 107 | M | 35.2 | Very low | 35.8 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 84% | 0.837 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.4 | -177.4 | -55.5 | -156.2 | -46 | 0 | 0 | 113.6 | | |
| 108 | P | 44.3 | Very low | 35.5 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 168.3 | 160.4 | 37.4 | -31.7 | 0 | 0 | 0 | 112.9 | | |
| 109 | S | 34.3 | Very low | 35.3 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -139.5 | 154.2 | -174.4 | -77.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 110 | Q | 32.2 | Very low | 35.5 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 64.5 | 127.5 | 146.1 | -66.7 | -91.7 | -62.5 | 0 | 0 | 121.5 | | |
| 111 | H | 36.6 | Very low | 35.4 | Very low | 148 Ų | 148 | 148.5 Ų | 148.5 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | | | trans | 27.5 | 129.1 | 145.1 | -68.1 | -102.5 | 0 | 0 | 0 | 122 | | |
| 112 | H | 33.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | | -165.1 | 165 | 111.5 | -109.8 | 60.7 | 0 | 0 | 0 | 116.2 | | |
| 113 | H | 33.4 | Very low | 35.8 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | | | trans | -63.4 | 158 | -171.8 | -54.7 | 79.7 | 0 | 0 | 0 | 117.8 | | |
| 114 | Q | 30.8 | Very low | 35.6 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | | -170.7 | 160.3 | 114 | -143.1 | 59 | 7.7 | 0 | 0 | 114.2 | | |
| 115 | H | 33.3 | Very low | 35.9 | Very low | 182 Ų | 182 | 146 Ų | 146 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -104.3 | -178.8 | 173.1 | -92.5 | -78.2 | 0 | 0 | 0 | 110.6 | | |
| 116 | P | 56.6 | Low | 36.1 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | cis | -140.9 | -162.2 | 17.9 | 37.4 | -12.6 | 0 | 0 | 0 | 116.8 | | |
| 117 | D | 29.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 146.6 Ų | 146.6 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | | | trans | 67.4 | 140.4 | 167 | -68 | -66.8 | 0 | 0 | 0 | 119.8 | | |
| 118 | G | 32.1 | Very low | 37.1 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 77% | 0.767 | S | S | * | * | | | cis | 179 | 171.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 119 | A | 32.3 | Very low | 36.8 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | 73.6 | 115.9 | 167 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 120 | H | 37 | Very low | 36.9 | Very low | 173 Ų | 173 | 149 Ų | 149 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | trans | 52.8 | 133.6 | 135.9 | -67.1 | -83.2 | 0 | 0 | 0 | 121.3 | | |
| 121 | Y | 32.9 | Very low | 36.9 | Very low | 216 Ų | 216 | 147.9 Ų | 147.9 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | | | cis | -155.6 | 157.1 | 29.3 | -137.7 | -84.7 | 0 | 0 | 0 | 111.6 | | |
| 122 | D | 33.1 | Very low | 36.7 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -101.7 | -163.1 | 177.7 | -150.5 | 22.5 | 0 | 0 | 0 | 109.2 | | |
| 123 | P | 53.8 | Low | 37.3 | Very low | 102 Ų | 102 | 149 Ų | 149 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | | | cis | -139.4 | 179.7 | -7.1 | 42.7 | -23.3 | 0 | 0 | 0 | 118.4 | | |
| 124 | A | 32.3 | Very low | 37.9 | Very low | 92 Ų | 92 | 147.7 Ų | 147.7 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | trans | 91.5 | 142.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 125 | R | 37.5 | Very low | 38.8 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | | | cis | -148.7 | 115.7 | 24.1 | -172.5 | 175 | 178.5 | 148 | -1.1 | 115.4 | | |
| 126 | N | 35.2 | Very low | 39.2 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 58.7 | 113.2 | 150.4 | -72.7 | -54.2 | 0 | 0 | 0 | 122.8 | | |
| 127 | H | 40.6 | Very low | 38.4 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | -61.7 | 178.4 | 141.6 | -89.9 | -48.9 | 0 | 0 | 0 | 112.2 | | |
| 128 | P | 47.1 | Very low | 39.3 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | cis | -144.9 | 159.3 | 27.1 | 42.5 | -22.2 | 0 | 0 | 0 | 120.9 | | |
| 129 | M | 38.1 | Very low | 39.8 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | | | trans | 15.9 | 136 | 135.2 | -54.3 | -74.1 | -99.1 | 0 | 0 | 120.5 | | |
| 130 | I | 37.9 | Very low | 40.8 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | | -152 | 147.2 | 119.7 | -108.2 | 158.8 | 0 | 0 | 0 | 111.4 | | |
| 131 | N | 32 | Very low | 40.7 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | -85.6 | 129.4 | -174.8 | 164.1 | 32.5 | 0 | 0 | 0 | 112.9 | | |
| 132 | R | 32.8 | Very low | 41 | Very low | 232 Ų | 232 | 145.8 Ų | 145.8 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | | | trans | -170.3 | 137.9 | 144.4 | -111.5 | 164 | -176.2 | -93.5 | 0.4 | 114 | | |
| 133 | S | 44.9 | Very low | 41.3 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -84.2 | 152.7 | 171.2 | -28.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 134 | P | 46.2 | Very low | 40.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -115.5 | 141.5 | 153.4 | 35.7 | -26.7 | 0 | 0 | 0 | 112.2 | | |
| 135 | P | 50.1 | Low | 40.8 | Very low | 113 Ų | 113 | 147 Ų | 147 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | -97.5 | 162.8 | 177.5 | 38 | -34.9 | 0 | 0 | 0 | 114 | | |
| 136 | I | 41.1 | Very low | 40.7 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | 27.9 | 115.9 | 142.1 | -53.4 | 171.3 | 0 | 0 | 0 | 117.4 | | |
| 137 | L | 40.4 | Very low | 40.6 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134 | 166 | -74.7 | 168 | 0 | 0 | 0 | 112 | | |
| 138 | P | 47.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 155.2 | 175.9 | 36.1 | -34.4 | 0 | 0 | 0 | 113.7 | | |
| 139 | N | 42.8 | Very low | 40.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.3 | 168.5 | -64.2 | 18.5 | 0 | 0 | 0 | 111.8 | | |
| 140 | P | 53.2 | Low | 40 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 137 | 158.4 | 33.8 | -29.2 | 0 | 0 | 0 | 113.1 | | |
| 141 | M | 35.4 | Very low | 39.8 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | 63.8 | 107 | 156.1 | -64.8 | -60.9 | 173.9 | 0 | 0 | 121.3 | | |
| 142 | S | 37.7 | Very low | 39.9 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -67.7 | 151.1 | 146.4 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 143 | A | 39.4 | Very low | 40.2 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | | | trans | -138.7 | 125.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 144 | L | 38.5 | Very low | 39.7 | Very low | 165 Ų | 165 | 142.5 Ų | 142.5 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | 47.9 | 92 | 159.4 | -73 | 157.6 | 0 | 0 | 0 | 118.7 | | |
| 145 | S | 37.4 | Very low | 39.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | trans | -94.9 | 156.3 | 135 | -79 | 0 | 0 | 0 | 0 | 110.4 | | |
| 146 | Q | 36.6 | Very low | 38.5 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | | | trans | 93 | 101.3 | 178.7 | -53.7 | 157.9 | 105.9 | 0 | 0 | 116.4 | | |
| 147 | L | 32 | Very low | 38.9 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | | | trans | -150.1 | 95.4 | 142.2 | -84.9 | -168.4 | 0 | 0 | 0 | 111.2 | | |
| 148 | N | 34.4 | Very low | 38.7 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | | | trans | -168.5 | 145 | 155.5 | -142.1 | 18.7 | 0 | 0 | 0 | 105.1 | | |
| 149 | P | 46.8 | Very low | 37.9 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | | | cis | -142 | -159.7 | 41 | 38.1 | -15.3 | 0 | 0 | 0 | 114.9 | | |
| 150 | Q | 32.5 | Very low | 37.8 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | 78.2 | 104 | 174.8 | -49.4 | -54.1 | -35.7 | 0 | 0 | 114.7 | | |
| 151 | V | 34.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | | 81.4 | 108.6 | 70.1 | 169.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 152 | S | 34.1 | Very low | 37.7 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -162.9 | 158.6 | 141.8 | -87.1 | 0 | 0 | 0 | 0 | 111 | | |
| 153 | R | 38.7 | Very low | 39.3 | Very low | 242 Ų | 242 | 134.9 Ų | 134.9 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -112.2 | 141 | -177.2 | -65.1 | 172.7 | 166.7 | -166.7 | -3.5 | 110.9 | | |
| 154 | S | 34.3 | Very low | 40 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | 175.2 | 140.7 | 148.3 | -81.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 155 | A | 33.3 | Very low | 39.8 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | cis | 123.6 | 123.6 | 24 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 156 | L | 36.8 | Very low | 40 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -45.8 | 176.3 | 177.5 | -65.3 | 169.6 | 0 | 0 | 0 | 116.9 | | |
| 157 | P | 49.1 | Very low | 40.3 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 57% | 0.571 | 79% | 0.791 | S | S | * | * | | | cis | -139.8 | -151.8 | -29.8 | 34.3 | -11.8 | 0 | 0 | 0 | 113.7 | | |
| 158 | H | 38.2 | Very low | 40.5 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 85% | 0.852 | 79% | 0.785 | S | S | * | * | | | trans | 78.4 | 149.2 | 173.3 | -42.9 | -74.4 | 0 | 0 | 0 | 116.2 | | |
| 159 | G | 30.7 | Very low | 40.7 | Very low | 73 Ų | 73 | 125.8 Ų | 125.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | 176.9 | 147.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 160 | S | 39.2 | Very low | 40.4 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -79.8 | 157.5 | -177.6 | -48.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 161 | P | 50.8 | Low | 41.6 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | | -148.5 | 169.2 | 114.1 | 38.4 | -22.7 | 0 | 0 | 0 | 117.4 | | |
| 162 | S | 37.3 | Very low | 41.7 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -135.3 | -170.3 | 168.7 | -46.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 163 | P | 70 | Confident | 42.4 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | cis | -109.7 | -115.5 | -16.1 | 40.7 | -22.4 | 0 | 0 | 0 | 109.2 | | |
| 164 | P | 54.8 | Low | 42.2 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | cis | -108.4 | -170.4 | -14.7 | 43.2 | -31.1 | 0 | 0 | 0 | 112.7 | | |
| 165 | G | 34.7 | Very low | 42.1 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | 136.5 | 86.4 | -11.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 166 | S | 41 | Very low | 42.2 | Very low | 94 Ų | 94 | 119.3 Ų | 119.3 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | -171.1 | 120.7 | 168.8 | -87.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 167 | K | 42.8 | Very low | 42.1 | Very low | 192 Ų | 192 | 119.2 Ų | 119.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | | 77 | 141.3 | 67.2 | 96.1 | -162.4 | 170.1 | -162.7 | 0 | 113.6 | | |
| 168 | S | 37.1 | Very low | 41.4 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | cis | -174.2 | 145.2 | -21.3 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 169 | A | 36.8 | Very low | 41.4 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | 177.6 | 142 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 170 | T | 42.2 | Very low | 41.7 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -131 | 168.3 | 169.4 | 62.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 171 | P | 56.1 | Low | 41.3 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | | -145.2 | 170.6 | 81.1 | 37.3 | -18.8 | 0 | 0 | 0 | 115.7 | | |
| 172 | S | 37.3 | Very low | 40.4 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -100.1 | 176.1 | 179.1 | -41 | 0 | 0 | 0 | 0 | 113.1 | | |
| 173 | P | 48.8 | Very low | 40.4 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | | -121.6 | 178.2 | 108 | 36.7 | -34.7 | 0 | 0 | 0 | 113.4 | | |
| 174 | S | 33.9 | Very low | 39.2 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | -117.8 | 152.1 | -156.4 | -178.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 175 | S | 32.5 | Very low | 38.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -157.4 | 115.7 | 135.3 | -83.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 176 | S | 36.5 | Very low | 38 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 66.5 | 77.8 | 147.6 | -165.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 177 | N | 34.5 | Very low | 37.9 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | | | | 57.4 | 134 | 126.7 | -61.4 | 9.1 | 0 | 0 | 0 | 122.7 | | |
| 178 | Q | 34.7 | Very low | 37.7 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | -139.8 | 150.6 | 170.6 | -173.9 | -179.7 | -35.7 | 0 | 0 | 107.7 | | |
| 179 | E | 36.9 | Very low | 37.7 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | 45.8 | 129.4 | 163.4 | 66.4 | -160.1 | 51.4 | 0 | 0 | 123 | | |
| 180 | E | 36.9 | Very low | 37.7 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | | -179.4 | 172.6 | 115.9 | -167.2 | 155.9 | 96.8 | 0 | 0 | 111.7 | | |
| 181 | E | 31.6 | Very low | 37.5 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -54.9 | 171.3 | 167.6 | -91.5 | -164.6 | 83.9 | 0 | 0 | 114.6 | | |
| 182 | T | 32.3 | Very low | 36.7 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | cis | -162.6 | 165.2 | 45.5 | -29.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 183 | D | 37.6 | Very low | 36.9 | Very low | 103 Ų | 103 | 145 Ų | 145 | 55% | 0.551 | 78% | 0.781 | S | S | * | * | | | trans | -43.8 | 161.1 | 169.1 | -162.8 | -143.4 | 0 | 0 | 0 | 116.6 | H185 | D183-H185 WeakPolarHBondContact OD1-CA 3.22Å; D183-H185 VanDerWaalsContact OD1-CB 3.22Å; D183-H185 WeakPolarHBondContact OD1-CB 3.42Å; D183-H185 IonicContact OD1-CG 2.82Å; D183-H185 PolarHBondContact OD1-N 3.3Å; D183-H185 IonicContact OD1-ND1 2.63Å; D183-H185 PolarHBondContact OD1-ND1 2.83Å; D183-H185 PolarHBondContact OD2-N 3.1Å |
| 184 | P | 43.7 | Very low | 36.6 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | | -145.9 | 102.9 | 104 | 37.2 | -20.5 | 0 | 0 | 0 | 116.6 | | |
| 185 | H | 33.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 53% | 0.528 | 78% | 0.78 | S | S | . | * | | | | 54.4 | 123.2 | 107.6 | -138.5 | 71.2 | 0 | 0 | 0 | 120.4 | D183 K187 | D183-H185 WeakPolarHBondContact OD1-CA 3.22Å; D183-H185 VanDerWaalsContact OD1-CB 3.22Å; D183-H185 WeakPolarHBondContact OD1-CB 3.42Å; D183-H185 IonicContact OD1-CG 2.82Å; D183-H185 PolarHBondContact OD1-N 3.3Å; D183-H185 IonicContact OD1-ND1 2.63Å; D183-H185 PolarHBondContact OD1-ND1 2.83Å; D183-H185 PolarHBondContact OD2-N 3.1Å; H185-K187 VanDerWaalsContact CD2-CE 3.41Å; H185-K187 WeakPolarHBondContact CD2-CE 3.32Å; H185-K187 WeakPolarHBondContact NE2-CE 2.98Å; H185-K187 WeakPolarHBondContact NE2-CG 3.43Å |
| 186 | S | 31.9 | Very low | 37.3 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -143.5 | 141.4 | 144.3 | -86.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 187 | K | 38.8 | Very low | 37.3 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 74% | 0.735 | 78% | 0.78 | S | S | * | * | | | trans | -96.7 | 141.9 | -164.7 | -64.4 | 173.8 | -179.2 | 175.3 | 0 | 112 | H185 | H185-K187 VanDerWaalsContact CD2-CE 3.41Å; H185-K187 WeakPolarHBondContact CD2-CE 3.32Å; H185-K187 WeakPolarHBondContact NE2-CE 2.98Å; H185-K187 WeakPolarHBondContact NE2-CG 3.43Å |
| 188 | M | 37.5 | Very low | 37.8 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 84% | 0.837 | 77% | 0.771 | S | S | * | * | | | | -161.7 | 160.7 | 104.4 | 62.7 | 169.8 | 65.8 | 0 | 0 | 113.6 | | |
| 189 | T | 37.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -25.5 | 145.1 | 160.4 | 50 | 0 | 0 | 0 | 0 | 115.9 | | |
| 190 | G | 36.8 | Very low | 38.6 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | 99.2 | 88.4 | 6.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 191 | E | 37.4 | Very low | 39 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -155.7 | -170.3 | 161.3 | -123.7 | -164.4 | 124.9 | 0 | 0 | 113.7 | | |
| 192 | K | 39.7 | Very low | 39.8 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | | | trans | -102.2 | 163.5 | -159.7 | -65.5 | 166 | -177 | 161.9 | 0 | 115.6 | | |
| 193 | R | 40.7 | Very low | 40.5 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -24 | 159 | 157.8 | -72.6 | 178 | 175.9 | 153.4 | -1.7 | 116.6 | | |
| 194 | P | 43.2 | Very low | 41.4 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | cis | -146.2 | -174.6 | 32.4 | 42.2 | -21.3 | 0 | 0 | 0 | 119.1 | | |
| 195 | S | 40.8 | Very low | 41.5 | Very low | 110 Ų | 110 | 151.9 Ų | 151.9 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -41.8 | 139.3 | 174 | 177.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 196 | S | 39.8 | Very low | 42.3 | Very low | 113 Ų | 113 | 155.3 Ų | 155.3 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | | | trans | -140.3 | 124.3 | 131.9 | 60.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 197 | E | 37.3 | Very low | 43.1 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | | 83 | 118.6 | 65.5 | -171.4 | 166.8 | 159.4 | 0 | 0 | 114.8 | | |
| 198 | M | 45.2 | Very low | 43.7 | Very low | 138 Ų | 138 | 160.3 Ų | 160.3 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | | | trans | 54.6 | 82.7 | 153.5 | -159.9 | 67.5 | 65.5 | 0 | 0 | 119.9 | | |
| 199 | M | 42.8 | Very low | 44.5 | Very low | 192 Ų | 192 | 162 Ų | 162 | 95% | 0.946 | 83% | 0.825 | S | S | * | * | | | trans | -129.9 | 128.7 | 145.2 | -73.1 | -152.9 | -176.8 | 0 | 0 | 112.7 | | |
| 200 | K | 45.3 | Very low | 45.2 | Very low | 180 Ų | 180 | 165.8 Ų | 165.8 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | | | trans | -74.3 | 136.8 | -172.9 | -63.9 | 163.2 | -179 | 170.7 | 0 | 111 | K202 | K200-K202 PolarHBondContact O-N 3.16Š|
| 201 | P | 45 | Very low | 46 | Very low | 129 Ų | 129 | 171.6 Ų | 171.6 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | | | trans | -67.6 | 102.8 | 175.2 | 27.5 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 202 | K | 47.8 | Very low | 46.9 | Very low | 195 Ų | 195 | 168.4 Ų | 168.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.2 | 177.3 | -117.2 | 165.3 | -179.9 | 169.7 | 0 | 109.9 | K200 K204 | K200-K202 PolarHBondContact O-N 3.16Å; K202-K204 PolarHBondContact O-N 3.07Å; K202-K204 VanDerWaalsContact O-N 3.16Å |
| 203 | P | 48.9 | Very low | 47.5 | Very low | 119 Ų | 119 | 164.2 Ų | 164.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 118 | -178 | 25.7 | -33.4 | 0 | 0 | 0 | 110.2 | | |
| 204 | K | 54.9 | Low | 48.9 | Very low | 193 Ų | 193 | 158.9 Ų | 158.9 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 125.6 | 175.9 | -64.8 | -176.4 | -180 | 179.8 | 0 | 108.5 | K202 Q206 | K202-K204 PolarHBondContact O-N 3.07Å; K202-K204 VanDerWaalsContact O-N 3.16Å; K204-Q206 PolarHBondContact O-N 3.33Å; K204-Q206 VanDerWaalsContact O-N 3.1Å |
| 205 | P | 46.1 | Very low | 49.9 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.9 | -178.4 | 24.8 | -33.3 | 0 | 0 | 0 | 109.5 | K207 | P205-K207 PolarHBondContact O-N 3.36Š|
| 206 | Q | 50.7 | Low | 51.4 | Low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -64.2 | 106.5 | 174.8 | -69.4 | -171 | 0.6 | 0 | 0 | 108.5 | K204 K208 | K204-Q206 PolarHBondContact O-N 3.33Å; K204-Q206 VanDerWaalsContact O-N 3.1Å; Q206-K208 PolarHBondContact O-N 3.44Å |
| 207 | K | 48 | Very low | 53.1 | Low | 197 Ų | 197 | 153.2 Ų | 153.2 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | | | trans | -56.4 | 105.3 | 169.5 | -76.1 | -173.9 | 175.9 | -178.6 | 0 | 107.7 | P205 K209 | P205-K207 PolarHBondContact O-N 3.36Å; K207-K209 PolarHBondContact O-N 2.83Å |
| 208 | K | 52.5 | Low | 55.1 | Low | 204 Ų | 204 | 150.9 Ų | 150.9 | 89% | 0.887 | 74% | 0.744 | S | S | * | * | | | trans | -50.9 | 109.4 | 170.8 | -69.3 | -178.7 | 178.9 | 179.3 | 0 | 106.7 | Q206 K210 | Q206-K208 PolarHBondContact O-N 3.44Å; K208-K210 PolarHBondContact O-N 3Å |
| 209 | K | 54.7 | Low | 57 | Low | 205 Ų | 205 | 152.1 Ų | 152.1 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | | | trans | -59.1 | 114.7 | 177.6 | -70.9 | -176.3 | 178.4 | 179.5 | 0 | 106.4 | K207 K211 | K207-K209 PolarHBondContact O-N 2.83Å; K209-K211 PolarHBondContact O-N 2.86Å |
| 210 | K | 52.1 | Low | 59 | Low | 202 Ų | 202 | 145.1 Ų | 145.1 | 88% | 0.878 | 71% | 0.714 | S | S | * | * | | | trans | -50.4 | 133.4 | 167.9 | -74.4 | -174.2 | 173.8 | -174.5 | 0 | 106.5 | K208 K212 | K208-K210 PolarHBondContact O-N 3Å; K210-K212 PolarHBondContact O-N 3.46Å |
| 211 | K | 52.5 | Low | 61.1 | Low | 195 Ų | 195 | 139.1 Ų | 139.1 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | | | trans | -59.4 | 107 | 174.8 | -69.5 | -175.6 | 179.2 | -178.1 | 0 | 106.3 | K209 D213 | K209-K211 PolarHBondContact O-N 2.86Å; K211-D213 PolarHBondContact O-N 3.33Å |
| 212 | K | 57 | Low | 63.3 | Low | 130 Ų | 130 | 136.4 Ų | 136.4 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | | | trans | -58.9 | 132.1 | 169.7 | -179.1 | 59.1 | 163.3 | 160.1 | 0 | 106.3 | K210 E216 | K210-K212 PolarHBondContact O-N 3.46Å; K212-E216 VanDerWaalsContact CE-CD 3.43Å; K212-E216 WeakPolarHBondContact CE-OE1 3.48Å; K212-E216 WeakPolarHBondContact CE-OE2 3.33Å; K212-E216 IonicContact NZ-OE1 3.63Å; K212-E216 PolarHBondContact NZ-OE1 3.16Å; K212-E216 IonicContact NZ-OE2 3.26Å; K212-E216 PolarHBondContact NZ-OE2 3.35Å |
| 213 | D | 52.2 | Low | 65.5 | Low | 104 Ų | 104 | 127.8 Ų | 127.8 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | | | trans | -51.3 | 120.8 | -166.9 | -60.6 | -88.6 | 0 | 0 | 0 | 110.8 | K211 N215 E216 | K211-D213 PolarHBondContact O-N 3.33Å; D213-N215 PolarHBondContact O-N 3.44Å; D213-E216 PolarHBondContact O-N 2.91Å |
| 214 | P | 70.3 | Confident | 67.6 | Low | 129 Ų | 129 | 126.2 Ų | 126.2 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -12.7 | -169.3 | -28 | 35.5 | 0 | 0 | 0 | 115.5 | | |
| 215 | N | 64.9 | Low | 69.4 | Low | 130 Ų | 130 | 118.6 Ų | 118.6 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -5.3 | -176.6 | -138 | 46.9 | 0 | 0 | 0 | 113.7 | D213 P217 | D213-N215 PolarHBondContact O-N 3.44Å; N215-P217 WeakPolarHBondContact O-CD 3.29Å |
| 216 | E | 71.4 | Confident | 71.7 | Confident | 73 Ų | 73 | 114.2 Ų | 114.2 | 34% | 0.341 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -78.5 | 123.8 | 170.8 | -174.7 | -179.7 | 132.8 | 0 | 0 | 109.2 | K212 D213 T218 | K212-E216 VanDerWaalsContact CE-CD 3.43Å; K212-E216 WeakPolarHBondContact CE-OE1 3.48Å; K212-E216 WeakPolarHBondContact CE-OE2 3.33Å; K212-E216 IonicContact NZ-OE1 3.63Å; K212-E216 PolarHBondContact NZ-OE1 3.16Å; K212-E216 IonicContact NZ-OE2 3.26Å; K212-E216 PolarHBondContact NZ-OE2 3.35Å; D213-E216 PolarHBondContact O-N 2.91Å; E216-T218 PolarHBondContact O-N 3.22Å; E216-T218 VanDerWaalsContact O-N 3.14Å |
| 217 | P | 74.7 | Confident | 73.7 | Confident | 25 Ų | 25 | 105.7 Ų | 105.7 | 16% | 0.162 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 122.7 | 175.1 | -26.1 | 35.1 | 0 | 0 | 0 | 110.7 | N215 Y277 A280 | N215-P217 WeakPolarHBondContact O-CD 3.29Å; P217-Y277 HydrophobicContact CB-CD2 3.84Å; P217-Y277 HydrophobicContact CB-CE2 4.07Å; P217-Y277 VanDerWaalsContact O-CE2 3.3Å; P217-Y277 WeakPolarHBondContact O-CE2 3.22Å; P217-A280 HydrophobicContact CB-CB 4.08Å; P217-A280 HydrophobicContact CG-CB 3.81Å |
| 218 | T | 80.9 | Confident | 76 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 72% | 0.724 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 131.1 | 177.8 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | E216 Y277 | E216-T218 PolarHBondContact O-N 3.22Å; E216-T218 VanDerWaalsContact O-N 3.14Å; T218-Y277 WeakPolarHBondContact O-CD2 3.44Å |
| 219 | K | 84.4 | Confident | 77.9 | Confident | 163 Ų | 163 | 96.1 Ų | 96.1 | 71% | 0.709 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -49.8 | 136.5 | 176.1 | -68.7 | -178 | 179.8 | -176.8 | 0 | 111.2 | Y277 | K219-Y277 HydrophobicContact CB-CE2 4.37Å; K219-Y277 HydrophobicContact CG-CE2 3.95Å |
| 220 | P | 85.2 | Confident | 79.8 | Confident | 45 Ų | 45 | 90.1 Ų | 90.1 | 29% | 0.292 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 141.4 | -179.6 | 29.8 | -38.9 | 0 | 0 | 0 | 110.6 | A273 K274 | P220-A273 HydrophobicContact CB-CB 4.33Å; P220-K274 HydrophobicContact CB-CB 4.27Å; P220-K274 HydrophobicContact CG-CB 3.9Å; P220-K274 HydrophobicContact CG-CG 4.2Å |
| 221 | V | 87.8 | Confident | 81.8 | Confident | 55 Ų | 55 | 81.2 Ų | 81.2 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 147.6 | 172.1 | -67.7 | 0 | 0 | 0 | 0 | 110.5 | A225 L226 T270 | V221-A225 HydrophobicContact CB-CB 4.05Å; V221-L226 HydrophobicContact CG2-CB 3.79Å; V221-L226 HydrophobicContact CG2-CD1 4.17Å; V221-L226 HydrophobicContact CG2-CG 3.87Å; V221-T270 WeakPolarHBondContact O-CG2 3.44Å; V221-T270 PolarHBondContact O-OG1 3.41Å |
| 222 | S | 92.7 | Very high | 83.7 | Confident | 72 Ų | 72 | 74.5 Ų | 74.5 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 160.6 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | Y224 A225 L226 T270 | S222-Y224 VanDerWaalsContact C-N 3.32Å; S222-Y224 PolarHBondContact O-N 2.96Å; S222-A225 CarbonylContact O-C 3.54Å; S222-A225 WeakPolarHBondContact O-CA 3.3Å; S222-A225 PolarHBondContact O-N 3.33Å; S222-A225 WeakPolarHBondContact OG-CB 3.41Å; S222-L226 PolarHBondContact O-N 3.05Å; S222-T270 VanDerWaalsContact C-OG1 3.3Å |
| 223 | A | 93.2 | Very high | 85.5 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.5 | -46.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L226 F227 W255 K267 T270 | A223-L226 PolarHBondContact O-N 3.02Å; A223-F227 PolarHBondContact O-N 2.92Å; A223-W255 HydrophobicContact CB-CH2 4.11Å; A223-K267 HydrophobicContact CB-CG 4.29Å; A223-T270 VanDerWaalsContact CA-OG1 3.3Å; A223-T270 WeakPolarHBondContact CA-OG1 3.24Å; A223-T270 PolarHBondContact N-OG1 2.95Å; A223-T270 VanDerWaalsContact N-OG1 3.11Å |
| 224 | Y | 93.3 | Very high | 87.5 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 33% | 0.333 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174 | 176.9 | -118 | 0 | 0 | 0 | 112.5 | S222 L226 F227 F228 W255 | S222-Y224 VanDerWaalsContact C-N 3.32Å; S222-Y224 PolarHBondContact O-N 2.96Å; Y224-L226 VanDerWaalsContact C-N 3.28Å; Y224-L226 PolarHBondContact O-N 3.37Å; Y224-F227 PolarHBondContact O-N 3Å; Y224-F228 HydrophobicContact CE1-CD2 4.4Å; Y224-F228 WeakPolarHBondContact O-CB 3.47Å; Y224-F228 PolarHBondContact O-N 2.67Å; Y224-W255 HydrophobicContact CD2-CB 3.9Å; Y224-W255 AromaticContact CD2-CD1 3.76Å; Y224-W255 AromaticContact CD2-CD2 3.61Å; Y224-W255 HydrophobicContact CD2-CD2 3.61Å; Y224-W255 AromaticContact CD2-CE2 3.97Å; Y224-W255 HydrophobicContact CD2-CE3 4.16Å; Y224-W255 AromaticContact CD2-CG 3.46Å; Y224-W255 HydrophobicContact CD2-CG 3.46Å; Y224-W255 VanDerWaalsContact CD2-CG 3.46Å; Y224-W255 HydrophobicContact CE2-CB 3.72Å; Y224-W255 HydrophobicContact CE2-CD2 4.37Å; Y224-W255 AromaticContact CE2-CG 3.77Å; Y224-W255 HydrophobicContact CE2-CG 3.77Å |
| 225 | A | 93.4 | Very high | 88.6 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -25.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V221 S222 R229 | V221-A225 HydrophobicContact CB-CB 4.05Å; S222-A225 CarbonylContact O-C 3.54Å; S222-A225 WeakPolarHBondContact O-CA 3.3Å; S222-A225 PolarHBondContact O-N 3.33Å; S222-A225 WeakPolarHBondContact OG-CB 3.41Å; A225-R229 WeakPolarHBondContact O-CG 3.36Å; A225-R229 PolarHBondContact O-N 2.96Å |
| 226 | L | 92.6 | Very high | 89.8 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.1 | -56.5 | 172 | -151.1 | 161 | 0 | 0 | 0 | 109.5 | V221 S222 A223 Y224 F228 R229 D230 Y266 K269 | V221-L226 HydrophobicContact CG2-CB 3.79Å; V221-L226 HydrophobicContact CG2-CD1 4.17Å; V221-L226 HydrophobicContact CG2-CG 3.87Å; S222-L226 PolarHBondContact O-N 3.05Å; A223-L226 PolarHBondContact O-N 3.02Å; Y224-L226 VanDerWaalsContact C-N 3.28Å; Y224-L226 PolarHBondContact O-N 3.37Å; L226-F228 PolarHBondContact O-N 2.88Å; L226-R229 PolarHBondContact O-N 2.91Å; L226-R229 VanDerWaalsContact O-N 3.09Å; L226-D230 WeakPolarHBondContact CD2-OD2 3.4Å; L226-D230 PolarHBondContact O-N 3.44Å; L226-D230 VanDerWaalsContact O-N 3.14Å; L226-Y266 HydrophobicContact CD2-CD1 4.19Å; L226-Y266 HydrophobicContact CD2-CE1 4.23Å; L226-K269 HydrophobicContact CD1-CB 4.41Å |
| 227 | F | 94.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -53.8 | -39.5 | 173.2 | 174 | -99.6 | 0 | 0 | 0 | 112.9 | A223 Y224 R229 D230 T231 V251 M254 W255 L258 Y266 | A223-F227 PolarHBondContact O-N 2.92Å; Y224-F227 PolarHBondContact O-N 3Å; F227-R229 PolarHBondContact O-N 2.78Å; F227-D230 PolarHBondContact O-N 3.14Å; F227-T231 WeakPolarHBondContact CD2-OG1 3.46Å; F227-T231 WeakPolarHBondContact CE2-OG1 3.28Å; F227-T231 HydrophobicContact CZ-CG2 4.18Å; F227-T231 VanDerWaalsContact CZ-OG1 3.28Å; F227-T231 WeakPolarHBondContact CZ-OG1 3.38Å; F227-T231 VanDerWaalsContact O-CB 3.26Å; F227-T231 WeakPolarHBondContact O-CB 3.29Å; F227-T231 PolarHBondContact O-N 3.09Å; F227-T231 PolarHBondContact O-OG1 3.29Å; F227-V251 HydrophobicContact CD1-CG1 4.2Å; F227-V251 HydrophobicContact CE1-CG1 4.02Å; F227-M254 HydrophobicContact CE1-CB 4.34Å; F227-M254 HydrophobicContact CZ-CB 3.97Å; F227-W255 HydrophobicContact CB-CE3 3.78Å; F227-W255 HydrophobicContact CB-CZ3 3.79Å; F227-W255 HydrophobicContact CD1-CB 3.91Å; F227-W255 HydrophobicContact CD1-CD2 4.26Å; F227-W255 AromaticContact CD1-CE3 3.55Å; F227-W255 HydrophobicContact CD1-CE3 3.55Å; F227-W255 HydrophobicContact CD1-CG 4.45Å; F227-W255 HydrophobicContact CD1-CZ3 4.42Å; F227-W255 HydrophobicContact CD2-CE3 4.3Å; F227-W255 HydrophobicContact CE1-CB 3.65Å; F227-W255 HydrophobicContact CE1-CE3 4.2Å; F227-W255 AromaticContact CG-CE3 3.59Å; F227-W255 HydrophobicContact CG-CE3 3.59Å; F227-W255 HydrophobicContact CG-CZ3 4.06Å; F227-L258 HydrophobicContact CD2-CD1 3.98Å; F227-L258 HydrophobicContact CE2-CD1 3.78Å; F227-L258 HydrophobicContact CE2-CD2 4.3Å; F227-L258 HydrophobicContact CE2-CG 4.35Å; F227-L258 HydrophobicContact CZ-CD1 4.17Å; F227-L258 HydrophobicContact CZ-CG 4.42Å; F227-Y266 HydrophobicContact CB-CD1 4.17Å; F227-Y266 HydrophobicContact CB-CD2 4.4Å; F227-Y266 HydrophobicContact CB-CE1 4.16Å; F227-Y266 HydrophobicContact CB-CE2 4.4Å; F227-Y266 HydrophobicContact CB-CG 4.32Å; F227-Y266 HydrophobicContact CD2-CD2 4.31Å; F227-Y266 HydrophobicContact CD2-CE1 4.4Å; F227-Y266 AromaticContact CD2-CE2 3.66Å; F227-Y266 HydrophobicContact CD2-CE2 3.66Å; F227-Y266 AromaticContact CD2-CZ 3.73Å; F227-Y266 HydrophobicContact CE2-CE2 4.45Å; F227-Y266 HydrophobicContact CG-CE2 4.45Å |
| 228 | F | 94.9 | Very high | 91.6 | Very high | 34 Ų | 34 | 68.1 Ų | 68.1 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179.2 | -175.7 | -78.3 | 0 | 0 | 0 | 111.3 | Y224 L226 Q232 F244 V251 | Y224-F228 HydrophobicContact CE1-CD2 4.4Å; Y224-F228 WeakPolarHBondContact O-CB 3.47Å; Y224-F228 PolarHBondContact O-N 2.67Å; L226-F228 PolarHBondContact O-N 2.88Å; F228-Q232 HydrophobicContact CD1-CB 4.38Å; F228-Q232 HydrophobicContact CE1-CB 4.29Å; F228-Q232 HydrophobicContact CE1-CG 4.45Å; F228-Q232 WeakPolarHBondContact O-CA 3.26Å; F228-Q232 WeakPolarHBondContact O-CB 3.47Å; F228-Q232 PolarHBondContact O-N 3.23Å; F228-F244 AromaticContact CE1-CE2 3.99Å; F228-F244 HydrophobicContact CE1-CE2 3.99Å; F228-F244 HydrophobicContact CE1-CZ 4.22Å; F228-F244 AromaticContact CZ-CE2 3.87Å; F228-F244 HydrophobicContact CZ-CE2 3.87Å; F228-F244 AromaticContact CZ-CZ 3.84Å; F228-F244 HydrophobicContact CZ-CZ 3.84Å; F228-V251 HydrophobicContact CB-CG1 4.03Å; F228-V251 HydrophobicContact CD2-CB 4.11Å; F228-V251 HydrophobicContact CD2-CG1 3.38Å; F228-V251 HydrophobicContact CE2-CB 4.27Å; F228-V251 HydrophobicContact CE2-CG1 4.04Å; F228-V251 HydrophobicContact CG-CG1 3.91Å |
| 229 | R | 94.1 | Very high | 92 | Very high | 167 Ų | 167 | 66.6 Ų | 66.6 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 178.4 | -74.1 | -177.5 | 67.8 | 174.9 | -1.3 | 111.9 | A225 L226 F227 A233 | A225-R229 WeakPolarHBondContact O-CG 3.36Å; A225-R229 PolarHBondContact O-N 2.96Å; L226-R229 PolarHBondContact O-N 2.91Å; L226-R229 VanDerWaalsContact O-N 3.09Å; F227-R229 PolarHBondContact O-N 2.78Å; R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.77Å |
| 230 | D | 93.8 | Very high | 92.3 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | -179.7 | -61.8 | -10.1 | 0 | 0 | 0 | 110.5 | L226 F227 A233 A234 | L226-D230 WeakPolarHBondContact CD2-OD2 3.4Å; L226-D230 PolarHBondContact O-N 3.44Å; L226-D230 VanDerWaalsContact O-N 3.14Å; F227-D230 PolarHBondContact O-N 3.14Å; D230-A233 PolarHBondContact O-N 3.49Å; D230-A234 PolarHBondContact O-N 3.09Å |
| 231 | T | 93.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -74.3 | -37.2 | -177.7 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | F227 A233 A234 I235 V251 M254 | F227-T231 WeakPolarHBondContact CD2-OG1 3.46Å; F227-T231 WeakPolarHBondContact CE2-OG1 3.28Å; F227-T231 HydrophobicContact CZ-CG2 4.18Å; F227-T231 VanDerWaalsContact CZ-OG1 3.28Å; F227-T231 WeakPolarHBondContact CZ-OG1 3.38Å; F227-T231 VanDerWaalsContact O-CB 3.26Å; F227-T231 WeakPolarHBondContact O-CB 3.29Å; F227-T231 PolarHBondContact O-N 3.09Å; F227-T231 PolarHBondContact O-OG1 3.29Å; T231-A233 VanDerWaalsContact C-N 3.3Å; T231-A233 PolarHBondContact O-N 2.93Å; T231-A234 PolarHBondContact O-N 3.14Å; T231-I235 HydrophobicContact CG2-CD1 3.87Å; T231-I235 HydrophobicContact CG2-CG1 4.4Å; T231-I235 WeakPolarHBondContact O-CG1 3.17Å; T231-I235 PolarHBondContact O-N 3.05Å; T231-V251 HydrophobicContact CG2-CG2 3.87Å; T231-M254 HydrophobicContact CG2-CE 3.71Å; T231-M254 HydrophobicContact CG2-SD 3.71Å |
| 232 | Q | 93.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 67 Ų | 67 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 171.4 | -176.6 | -167 | 6.1 | 0 | 0 | 111.1 | F228 K236 V247 | F228-Q232 HydrophobicContact CD1-CB 4.38Å; F228-Q232 HydrophobicContact CE1-CB 4.29Å; F228-Q232 HydrophobicContact CE1-CG 4.45Å; F228-Q232 WeakPolarHBondContact O-CA 3.26Å; F228-Q232 WeakPolarHBondContact O-CB 3.47Å; F228-Q232 PolarHBondContact O-N 3.23Å; Q232-K236 WeakPolarHBondContact O-CB 3.24Å; Q232-K236 PolarHBondContact O-N 3.44Å; Q232-V247 HydrophobicContact CB-CG1 4.22Å; Q232-V247 HydrophobicContact CG-CG1 3.89Å |
| 233 | A | 93.5 | Very high | 92.8 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R229 D230 T231 G237 | R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.77Å; D230-A233 PolarHBondContact O-N 3.49Å; T231-A233 VanDerWaalsContact C-N 3.3Å; T231-A233 PolarHBondContact O-N 2.93Å; A233-G237 PolarHBondContact O-N 3.46Å |
| 234 | A | 94.4 | Very high | 92.7 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D230 T231 K236 G237 Q238 | D230-A234 PolarHBondContact O-N 3.09Å; T231-A234 PolarHBondContact O-N 3.14Å; A234-K236 PolarHBondContact O-N 3.47Å; A234-G237 PolarHBondContact O-N 3.33Å; A234-Q238 PolarHBondContact O-N 3.29Å; A234-Q238 VanDerWaalsContact O-N 3.11Å |
| 235 | I | 92.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 10% | 0.103 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | -179 | -63.7 | 164.9 | 0 | 0 | 0 | 110.9 | T231 Q238 N239 V247 I250 V251 M254 | T231-I235 HydrophobicContact CG2-CD1 3.87Å; T231-I235 HydrophobicContact CG2-CG1 4.4Å; T231-I235 WeakPolarHBondContact O-CG1 3.17Å; T231-I235 PolarHBondContact O-N 3.05Å; I235-Q238 PolarHBondContact O-N 3.03Å; I235-N239 WeakPolarHBondContact O-CB 3.46Å; I235-N239 PolarHBondContact O-N 2.74Å; I235-V247 HydrophobicContact CB-CG1 4.12Å; I235-V247 HydrophobicContact CD1-CG1 4.18Å; I235-V247 HydrophobicContact CG2-CB 4.47Å; I235-V247 HydrophobicContact CG2-CG1 4.09Å; I235-V247 HydrophobicContact CG2-CG2 3.83Å; I235-I250 HydrophobicContact CD1-CB 4.15Å; I235-I250 HydrophobicContact CD1-CG2 3.6Å; I235-V251 HydrophobicContact CD1-CG2 3.76Å; I235-M254 HydrophobicContact CD1-SD 4.24Å |
| 236 | K | 91.8 | Very high | 92.9 | Very high | 100 Ų | 100 | 72 Ų | 72 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -74.9 | -24.1 | 180 | -167.6 | 165.7 | -178 | 69.5 | 0 | 113.3 | Q232 A234 N239 P240 | Q232-K236 WeakPolarHBondContact O-CB 3.24Å; Q232-K236 PolarHBondContact O-N 3.44Å; A234-K236 PolarHBondContact O-N 3.47Å; K236-N239 CarbonylContact O-C 3.54Å; K236-P240 PolarHBondContact NZ-O 3.45Å; K236-P240 WeakPolarHBondContact O-CA 3.42Å |
| 237 | G | 91.7 | Very high | 93 | Very high | 65 Ų | 65 | 70.6 Ų | 70.6 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A233 A234 | A233-G237 PolarHBondContact O-N 3.46Å; A234-G237 PolarHBondContact O-N 3.33Å |
| 238 | Q | 92.3 | Very high | 93 | Very high | 151 Ų | 151 | 71.5 Ų | 71.5 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -74.8 | -37.9 | 175 | -66.2 | 176 | 0 | 0 | 0 | 112.7 | A234 I235 | A234-Q238 PolarHBondContact O-N 3.29Å; A234-Q238 VanDerWaalsContact O-N 3.11Å; I235-Q238 PolarHBondContact O-N 3.03Å |
| 239 | N | 88 | Confident | 93 | Very high | 86 Ų | 86 | 76.5 Ų | 76.5 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | | | trans | -128.4 | 75.7 | -173.5 | -67.2 | -87.4 | 0 | 0 | 0 | 110.7 | I235 K236 N241 A242 | I235-N239 WeakPolarHBondContact O-CB 3.46Å; I235-N239 PolarHBondContact O-N 2.74Å; K236-N239 CarbonylContact O-C 3.54Å; N239-N241 PolarHBondContact O-N 2.87Å; N239-N241 VanDerWaalsContact O-N 3.17Å; N239-A242 HydrophobicContact CB-CB 3.9Å; N239-A242 WeakPolarHBondContact O-CB 3.42Å; N239-A242 PolarHBondContact O-N 3.03Å |
| 240 | P | 90.3 | Very high | 93 | Very high | 82 Ų | 82 | 72.4 Ų | 72.4 | 53% | 0.532 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -30.8 | -177 | 22.1 | -33.2 | 0 | 0 | 0 | 113.1 | K236 | K236-P240 PolarHBondContact NZ-O 3.45Å; K236-P240 WeakPolarHBondContact O-CA 3.42Å |
| 241 | N | 92.1 | Very high | 93.1 | Very high | 161 Ų | 161 | 68.6 Ų | 68.6 | 86% | 0.861 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -11.1 | 178.6 | -65 | -21.3 | 0 | 0 | 0 | 114.3 | N239 | N239-N241 PolarHBondContact O-N 2.87Å; N239-N241 VanDerWaalsContact O-N 3.17Å |
| 242 | A | 90.8 | Very high | 93.2 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 25% | 0.248 | 41% | 0.405 | C | S | . | . | | | trans | -66.1 | 137.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | N239 V247 | N239-A242 HydrophobicContact CB-CB 3.9Å; N239-A242 WeakPolarHBondContact O-CB 3.42Å; N239-A242 PolarHBondContact O-N 3.03Å; A242-V247 HydrophobicContact CB-CG2 3.81Å |
| 243 | T | 94.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | | | trans | -72.6 | 151.4 | 179 | 92.8 | 0 | 0 | 0 | 0 | 110.7 | G245 D246 V247 | T243-G245 PolarHBondContact O-N 3.05Å; T243-G245 PolarHBondContact OG1-N 2.84Å; T243-D246 WeakPolarHBondContact CB-OD2 3.29Å; T243-D246 WeakPolarHBondContact CG2-OD2 3.18Å; T243-D246 PolarHBondContact O-N 3.4Å; T243-D246 PolarHBondContact OG1-N 2.94Å; T243-D246 PolarHBondContact OG1-OD2 3.08Å; T243-V247 WeakPolarHBondContact O-CG2 3.41Å; T243-V247 PolarHBondContact O-N 3.37Å; T243-V247 VanDerWaalsContact O-N 3.09Å |
| 244 | F | 90.9 | Very high | 93.4 | Very high | 128 Ų | 128 | 72 Ų | 72 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59 | -31.8 | 176.2 | 178.6 | -99.8 | 0 | 0 | 0 | 112.6 | F228 S248 | F228-F244 AromaticContact CE1-CE2 3.99Å; F228-F244 HydrophobicContact CE1-CE2 3.99Å; F228-F244 HydrophobicContact CE1-CZ 4.22Å; F228-F244 AromaticContact CZ-CE2 3.87Å; F228-F244 HydrophobicContact CZ-CE2 3.87Å; F228-F244 AromaticContact CZ-CZ 3.84Å; F228-F244 HydrophobicContact CZ-CZ 3.84Å; F244-S248 WeakPolarHBondContact CE1-OG 3.28Å; F244-S248 WeakPolarHBondContact CZ-OG 3.48Å; F244-S248 VanDerWaalsContact O-CB 3.29Å; F244-S248 WeakPolarHBondContact O-CB 2.95Å; F244-S248 PolarHBondContact O-N 2.94Å; F244-S248 PolarHBondContact O-OG 3.45Å |
| 245 | G | 95.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 71.2 Ų | 71.2 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T243 S248 K249 | T243-G245 PolarHBondContact O-N 3.05Å; T243-G245 PolarHBondContact OG1-N 2.84Å; G245-S248 PolarHBondContact O-N 3.36Å; G245-K249 WeakPolarHBondContact O-CG 3.47Å; G245-K249 PolarHBondContact O-N 2.93Å; G245-K249 VanDerWaalsContact O-N 3.16Å |
| 246 | D | 94.2 | Very high | 93.6 | Very high | 66 Ų | 66 | 75.8 Ų | 75.8 | 35% | 0.353 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.3 | -41.5 | -177.8 | -52.3 | -50.9 | 0 | 0 | 0 | 111.3 | T243 S248 K249 I250 | T243-D246 WeakPolarHBondContact CB-OD2 3.29Å; T243-D246 WeakPolarHBondContact CG2-OD2 3.18Å; T243-D246 PolarHBondContact O-N 3.4Å; T243-D246 PolarHBondContact OG1-N 2.94Å; T243-D246 PolarHBondContact OG1-OD2 3.08Å; D246-S248 VanDerWaalsContact C-N 3.27Å; D246-S248 PolarHBondContact O-N 2.89Å; D246-K249 PolarHBondContact O-N 3.14Å; D246-K249 IonicContact OD1-NZ 2.59Å; D246-K249 PolarHBondContact OD1-NZ 2.79Å; D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.38Å; D246-I250 PolarHBondContact O-N 3.34Å |
| 247 | V | 94.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.018 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | Q232 I235 A242 T243 K249 I250 V251 | Q232-V247 HydrophobicContact CB-CG1 4.22Å; Q232-V247 HydrophobicContact CG-CG1 3.89Å; I235-V247 HydrophobicContact CB-CG1 4.12Å; I235-V247 HydrophobicContact CD1-CG1 4.18Å; I235-V247 HydrophobicContact CG2-CB 4.47Å; I235-V247 HydrophobicContact CG2-CG1 4.09Å; I235-V247 HydrophobicContact CG2-CG2 3.83Å; A242-V247 HydrophobicContact CB-CG2 3.81Å; T243-V247 WeakPolarHBondContact O-CG2 3.41Å; T243-V247 PolarHBondContact O-N 3.37Å; T243-V247 VanDerWaalsContact O-N 3.09Å; V247-K249 PolarHBondContact O-N 2.8Å; V247-I250 PolarHBondContact O-N 3.43Å; V247-V251 HydrophobicContact CG1-CG2 4.11Å; V247-V251 WeakPolarHBondContact O-CB 3.06Å; V247-V251 VanDerWaalsContact O-CG2 3.22Å; V247-V251 WeakPolarHBondContact O-CG2 3.48Å; V247-V251 PolarHBondContact O-N 2.97Å |
| 248 | S | 94.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.7 | -61 | 0 | 0 | 0 | 0 | 113.2 | F244 G245 D246 A252 | F244-S248 WeakPolarHBondContact CE1-OG 3.28Å; F244-S248 WeakPolarHBondContact CZ-OG 3.48Å; F244-S248 VanDerWaalsContact O-CB 3.29Å; F244-S248 WeakPolarHBondContact O-CB 2.95Å; F244-S248 PolarHBondContact O-N 2.94Å; F244-S248 PolarHBondContact O-OG 3.45Å; G245-S248 PolarHBondContact O-N 3.36Å; D246-S248 VanDerWaalsContact C-N 3.27Å; D246-S248 PolarHBondContact O-N 2.89Å; S248-A252 WeakPolarHBondContact O-CB 3.19Å; S248-A252 PolarHBondContact O-N 3.45Å |
| 249 | K | 95.7 | Very high | 94 | Very high | 138 Ų | 138 | 67.2 Ų | 67.2 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | 175.2 | -65.3 | 163.9 | -164 | 160.9 | 0 | 111.4 | G245 D246 V247 A252 S253 | G245-K249 WeakPolarHBondContact O-CG 3.47Å; G245-K249 PolarHBondContact O-N 2.93Å; G245-K249 VanDerWaalsContact O-N 3.16Å; D246-K249 PolarHBondContact O-N 3.14Å; D246-K249 IonicContact OD1-NZ 2.59Å; D246-K249 PolarHBondContact OD1-NZ 2.79Å; V247-K249 PolarHBondContact O-N 2.8Å; K249-A252 PolarHBondContact O-N 3.35Å; K249-S253 PolarHBondContact O-N 3.02Å |
| 250 | I | 94.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 42% | 0.415 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 179 | -63.6 | 162.6 | 0 | 0 | 0 | 109.8 | I235 D246 V247 A252 S253 M254 | I235-I250 HydrophobicContact CD1-CB 4.15Å; I235-I250 HydrophobicContact CD1-CG2 3.6Å; D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.38Å; D246-I250 PolarHBondContact O-N 3.34Å; V247-I250 PolarHBondContact O-N 3.43Å; I250-A252 PolarHBondContact O-N 3.3Å; I250-S253 PolarHBondContact O-N 2.97Å; I250-M254 HydrophobicContact CG2-CG 4.3Å; I250-M254 HydrophobicContact CG2-SD 3.88Å; I250-M254 WeakPolarHBondContact O-CB 3.33Å; I250-M254 VanDerWaalsContact O-CG 3.29Å; I250-M254 WeakPolarHBondContact O-CG 3.33Å; I250-M254 PolarHBondContact O-N 3.49Å |
| 251 | V | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63 | -40.2 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | F227 F228 T231 I235 V247 M254 W255 | F227-V251 HydrophobicContact CD1-CG1 4.2Å; F227-V251 HydrophobicContact CE1-CG1 4.02Å; F228-V251 HydrophobicContact CB-CG1 4.03Å; F228-V251 HydrophobicContact CD2-CB 4.11Å; F228-V251 HydrophobicContact CD2-CG1 3.38Å; F228-V251 HydrophobicContact CE2-CB 4.27Å; F228-V251 HydrophobicContact CE2-CG1 4.04Å; F228-V251 HydrophobicContact CG-CG1 3.91Å; T231-V251 HydrophobicContact CG2-CG2 3.87Å; I235-V251 HydrophobicContact CD1-CG2 3.76Å; V247-V251 HydrophobicContact CG1-CG2 4.11Å; V247-V251 WeakPolarHBondContact O-CB 3.06Å; V247-V251 VanDerWaalsContact O-CG2 3.22Å; V247-V251 WeakPolarHBondContact O-CG2 3.48Å; V247-V251 PolarHBondContact O-N 2.97Å; V251-M254 PolarHBondContact O-N 3.23Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 3.42Å |
| 252 | A | 95.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 68 Ų | 68 | 26% | 0.256 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.6 | -51.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S248 K249 I250 M254 W255 D256 | S248-A252 WeakPolarHBondContact O-CB 3.19Å; S248-A252 PolarHBondContact O-N 3.45Å; K249-A252 PolarHBondContact O-N 3.35Å; I250-A252 PolarHBondContact O-N 3.3Å; A252-M254 VanDerWaalsContact C-N 3.32Å; A252-M254 PolarHBondContact O-N 2.88Å; A252-W255 WeakPolarHBondContact O-CB 3.16Å; A252-W255 PolarHBondContact O-N 3.06Å; A252-W255 VanDerWaalsContact O-N 3.09Å; A252-D256 PolarHBondContact O-N 2.76Å |
| 253 | S | 96.3 | Very high | 94.7 | Very high | 85 Ų | 85 | 68.3 Ų | 68.3 | 59% | 0.594 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.5 | -39.2 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 112.9 | K249 I250 G257 | K249-S253 PolarHBondContact O-N 3.02Å; I250-S253 PolarHBondContact O-N 2.97Å; S253-G257 PolarHBondContact O-N 3.48Å |
| 254 | M | 94.9 | Very high | 94.7 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 44% | 0.438 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 174.4 | -73 | 178.7 | 68.5 | 0 | 0 | 112.3 | F227 T231 I235 I250 V251 A252 G257 L258 | F227-M254 HydrophobicContact CE1-CB 4.34Å; F227-M254 HydrophobicContact CZ-CB 3.97Å; T231-M254 HydrophobicContact CG2-CE 3.71Å; T231-M254 HydrophobicContact CG2-SD 3.71Å; I235-M254 HydrophobicContact CD1-SD 4.24Å; I250-M254 HydrophobicContact CG2-CG 4.3Å; I250-M254 HydrophobicContact CG2-SD 3.88Å; I250-M254 WeakPolarHBondContact O-CB 3.33Å; I250-M254 VanDerWaalsContact O-CG 3.29Å; I250-M254 WeakPolarHBondContact O-CG 3.33Å; I250-M254 PolarHBondContact O-N 3.49Å; V251-M254 PolarHBondContact O-N 3.23Å; A252-M254 VanDerWaalsContact C-N 3.32Å; A252-M254 PolarHBondContact O-N 2.88Å; M254-G257 PolarHBondContact O-N 3.49Å; M254-L258 WeakPolarHBondContact O-CG 3.33Å; M254-L258 PolarHBondContact O-N 3.3Å; M254-L258 VanDerWaalsContact O-N 3.14Å |
| 255 | W | 95.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.148 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 176.1 | 173.8 | -100.2 | 0 | 0 | 0 | 111.4 | A223 Y224 F227 V251 A252 G257 L258 K263 Y266 | A223-W255 HydrophobicContact CB-CH2 4.11Å; Y224-W255 HydrophobicContact CD2-CB 3.9Å; Y224-W255 AromaticContact CD2-CD1 3.76Å; Y224-W255 AromaticContact CD2-CD2 3.61Å; Y224-W255 HydrophobicContact CD2-CD2 3.61Å; Y224-W255 AromaticContact CD2-CE2 3.97Å; Y224-W255 HydrophobicContact CD2-CE3 4.16Å; Y224-W255 AromaticContact CD2-CG 3.46Å; Y224-W255 HydrophobicContact CD2-CG 3.46Å; Y224-W255 VanDerWaalsContact CD2-CG 3.46Å; Y224-W255 HydrophobicContact CE2-CB 3.72Å; Y224-W255 HydrophobicContact CE2-CD2 4.37Å; Y224-W255 AromaticContact CE2-CG 3.77Å; Y224-W255 HydrophobicContact CE2-CG 3.77Å; F227-W255 HydrophobicContact CB-CE3 3.78Å; F227-W255 HydrophobicContact CB-CZ3 3.79Å; F227-W255 HydrophobicContact CD1-CB 3.91Å; F227-W255 HydrophobicContact CD1-CD2 4.26Å; F227-W255 AromaticContact CD1-CE3 3.55Å; F227-W255 HydrophobicContact CD1-CE3 3.55Å; F227-W255 HydrophobicContact CD1-CG 4.45Å; F227-W255 HydrophobicContact CD1-CZ3 4.42Å; F227-W255 HydrophobicContact CD2-CE3 4.3Å; F227-W255 HydrophobicContact CE1-CB 3.65Å; F227-W255 HydrophobicContact CE1-CE3 4.2Å; F227-W255 AromaticContact CG-CE3 3.59Å; F227-W255 HydrophobicContact CG-CE3 3.59Å; F227-W255 HydrophobicContact CG-CZ3 4.06Å; V251-W255 WeakPolarHBondContact O-CB 3.37Å; V251-W255 PolarHBondContact O-N 3.42Å; A252-W255 WeakPolarHBondContact O-CB 3.16Å; A252-W255 PolarHBondContact O-N 3.06Å; A252-W255 VanDerWaalsContact O-N 3.09Å; W255-G257 VanDerWaalsContact C-N 3.25Å; W255-G257 PolarHBondContact O-N 3.4Å; W255-L258 HydrophobicContact CE3-CD1 3.67Å; W255-L258 HydrophobicContact CZ3-CD1 4.01Å; W255-L258 WeakPolarHBondContact O-CB 3.47Å; W255-L258 PolarHBondContact O-N 3.27Å; W255-L258 VanDerWaalsContact O-N 3.08Å; W255-K263 HydrophobicContact CH2-CB 4.34Å; W255-K263 HydrophobicContact CH2-CG 4.1Å; W255-K263 HydrophobicContact CZ2-CG 4.07Å; W255-K263 HydrophobicContact CZ3-CG 4.41Å; W255-K263 WeakPolarHBondContact O-CE 3.3Å; W255-K263 PolarHBondContact O-NZ 2.92Å; W255-Y266 HydrophobicContact CZ3-CD2 4.06Å; W255-Y266 HydrophobicContact CZ3-CG 4.25Å |
| 256 | D | 95.6 | Very high | 94.9 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -38.6 | 179.9 | -65.3 | -28.8 | 0 | 0 | 0 | 110.7 | A252 L258 K263 | A252-D256 PolarHBondContact O-N 2.76Å; D256-L258 PolarHBondContact O-N 3.05Å; D256-K263 PolarHBondContact O-NZ 3.26Å |
| 257 | G | 95.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 65.2 Ų | 65.2 | 69% | 0.691 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S253 M254 W255 | S253-G257 PolarHBondContact O-N 3.48Å; M254-G257 PolarHBondContact O-N 3.49Å; W255-G257 VanDerWaalsContact C-N 3.25Å; W255-G257 PolarHBondContact O-N 3.4Å |
| 258 | L | 94.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 72.3 Ų | 72.3 | 16% | 0.162 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -67 | 142.9 | 173.8 | -69.7 | -175.3 | 0 | 0 | 0 | 111.3 | F227 M254 W255 D256 Q262 K263 Y266 | F227-L258 HydrophobicContact CD2-CD1 3.98Å; F227-L258 HydrophobicContact CE2-CD1 3.78Å; F227-L258 HydrophobicContact CE2-CD2 4.3Å; F227-L258 HydrophobicContact CE2-CG 4.35Å; F227-L258 HydrophobicContact CZ-CD1 4.17Å; F227-L258 HydrophobicContact CZ-CG 4.42Å; M254-L258 WeakPolarHBondContact O-CG 3.33Å; M254-L258 PolarHBondContact O-N 3.3Å; M254-L258 VanDerWaalsContact O-N 3.14Å; W255-L258 HydrophobicContact CE3-CD1 3.67Å; W255-L258 HydrophobicContact CZ3-CD1 4.01Å; W255-L258 WeakPolarHBondContact O-CB 3.47Å; W255-L258 PolarHBondContact O-N 3.27Å; W255-L258 VanDerWaalsContact O-N 3.08Å; D256-L258 PolarHBondContact O-N 3.05Å; L258-Q262 HydrophobicContact CB-CB 4.22Å; L258-Q262 HydrophobicContact CD1-CB 4.31Å; L258-Q262 HydrophobicContact CD2-CB 4.38Å; L258-K263 HydrophobicContact CB-CD 4.41Å; L258-K263 HydrophobicContact CB-CG 4.01Å; L258-K263 VanDerWaalsContact O-CE 3.29Å; L258-K263 WeakPolarHBondContact O-CE 3.3Å; L258-K263 PolarHBondContact O-NZ 3.26Å; L258-Y266 HydrophobicContact CD1-CD2 4.27Å; L258-Y266 HydrophobicContact CD1-CE2 4.21Å |
| 259 | G | 95.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 75.7 Ų | 75.7 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | | | trans | -64.7 | 154.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E261 Q262 K263 | G259-E261 PolarHBondContact O-N 2.92Å; G259-Q262 WeakPolarHBondContact O-CB 3.47Å; G259-Q262 PolarHBondContact O-N 3.26Å; G259-K263 PolarHBondContact O-N 2.74Å |
| 260 | E | 94.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 70.3 Ų | 70.3 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.3 | -32.2 | -178 | -178.7 | 55.6 | -162.8 | 0 | 0 | 112.1 | Q262 K263 Q264 K267 | E260-Q262 VanDerWaalsContact C-N 3.31Å; E260-Q262 PolarHBondContact O-N 2.59Å; E260-K263 CarbonylContact O-C 3.59Å; E260-K263 PolarHBondContact O-N 2.88Å; E260-Q264 HydrophobicContact CG-CG 4.09Å; E260-Q264 VanDerWaalsContact O-CB 3.3Å; E260-Q264 WeakPolarHBondContact O-CB 3.33Å; E260-Q264 WeakPolarHBondContact O-CG 3.3Å; E260-Q264 PolarHBondContact O-N 2.63Å; E260-Q264 VanDerWaalsContact OE1-CG 3.29Å; E260-Q264 WeakPolarHBondContact OE1-CG 3.1Å; E260-Q264 PolarHBondContact OE1-NE2 3.38Å; E260-K267 IonicContact OE1-NZ 2.64Å; E260-K267 PolarHBondContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 2.74Å |
| 261 | E | 94.6 | Very high | 94.5 | Very high | 155 Ų | 155 | 72.8 Ų | 72.8 | 72% | 0.724 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -57 | -42.8 | 172 | -172.3 | -163 | -128.5 | 0 | 0 | 112.4 | G259 Q264 S265 | G259-E261 PolarHBondContact O-N 2.92Å; E261-Q264 CarbonylContact O-C 3.42Å; E261-Q264 PolarHBondContact O-N 3.11Å; E261-S265 PolarHBondContact O-N 3Å |
| 262 | Q | 93.8 | Very high | 94.4 | Very high | 93 Ų | 93 | 75.7 Ų | 75.7 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 179.3 | -65.3 | 165.7 | -30.5 | 0 | 0 | 110.4 | L258 G259 E260 Q264 S265 Y266 | L258-Q262 HydrophobicContact CB-CB 4.22Å; L258-Q262 HydrophobicContact CD1-CB 4.31Å; L258-Q262 HydrophobicContact CD2-CB 4.38Å; G259-Q262 WeakPolarHBondContact O-CB 3.47Å; G259-Q262 PolarHBondContact O-N 3.26Å; E260-Q262 VanDerWaalsContact C-N 3.31Å; E260-Q262 PolarHBondContact O-N 2.59Å; Q262-Q264 VanDerWaalsContact C-N 3.29Å; Q262-Q264 PolarHBondContact O-N 2.82Å; Q262-S265 WeakPolarHBondContact O-CB 3.22Å; Q262-S265 PolarHBondContact O-N 3.32Å; Q262-S265 VanDerWaalsContact O-N 3.14Å; Q262-Y266 VanDerWaalsContact O-CD2 3.24Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.41Å; Q262-Y266 PolarHBondContact O-N 3.47Å |
| 263 | K | 92.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 76.3 Ų | 76.3 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.9 | -41 | 171 | -71.8 | 163.2 | 170.6 | 149.1 | 0 | 111.2 | W255 D256 L258 G259 E260 Y266 K267 | W255-K263 HydrophobicContact CH2-CB 4.34Å; W255-K263 HydrophobicContact CH2-CG 4.1Å; W255-K263 HydrophobicContact CZ2-CG 4.07Å; W255-K263 HydrophobicContact CZ3-CG 4.41Å; W255-K263 WeakPolarHBondContact O-CE 3.3Å; W255-K263 PolarHBondContact O-NZ 2.92Å; D256-K263 PolarHBondContact O-NZ 3.26Å; L258-K263 HydrophobicContact CB-CD 4.41Å; L258-K263 HydrophobicContact CB-CG 4.01Å; L258-K263 VanDerWaalsContact O-CE 3.29Å; L258-K263 WeakPolarHBondContact O-CE 3.3Å; L258-K263 PolarHBondContact O-NZ 3.26Å; G259-K263 PolarHBondContact O-N 2.74Å; E260-K263 CarbonylContact O-C 3.59Å; E260-K263 PolarHBondContact O-N 2.88Å; K263-Y266 PolarHBondContact O-N 3.47Å; K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.41Å |
| 264 | Q | 94.6 | Very high | 93.9 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.8 | -30.4 | 174.7 | -69.7 | -71.8 | -1.4 | 0 | 0 | 113.6 | E260 E261 Q262 K267 R268 | E260-Q264 HydrophobicContact CG-CG 4.09Å; E260-Q264 VanDerWaalsContact O-CB 3.3Å; E260-Q264 WeakPolarHBondContact O-CB 3.33Å; E260-Q264 WeakPolarHBondContact O-CG 3.3Å; E260-Q264 PolarHBondContact O-N 2.63Å; E260-Q264 VanDerWaalsContact OE1-CG 3.29Å; E260-Q264 WeakPolarHBondContact OE1-CG 3.1Å; E260-Q264 PolarHBondContact OE1-NE2 3.38Å; E261-Q264 CarbonylContact O-C 3.42Å; E261-Q264 PolarHBondContact O-N 3.11Å; Q262-Q264 VanDerWaalsContact C-N 3.29Å; Q262-Q264 PolarHBondContact O-N 2.82Å; Q264-K267 HydrophobicContact CG-CD 4.33Å; Q264-K267 VanDerWaalsContact NE2-NZ 3.15Å; Q264-K267 PolarHBondContact O-N 2.86Å; Q264-K267 VanDerWaalsContact OE1-CD 3.26Å; Q264-R268 WeakPolarHBondContact O-CB 3.38Å; Q264-R268 WeakPolarHBondContact O-CG 3.45Å; Q264-R268 PolarHBondContact O-N 2.81Å; Q264-R268 PolarHBondContact O-NE 3.48Å |
| 265 | S | 95.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 169 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | E261 Q262 R268 K269 | E261-S265 PolarHBondContact O-N 3Å; Q262-S265 WeakPolarHBondContact O-CB 3.22Å; Q262-S265 PolarHBondContact O-N 3.32Å; Q262-S265 VanDerWaalsContact O-N 3.14Å; S265-R268 PolarHBondContact O-N 2.73Å; S265-K269 WeakPolarHBondContact O-CB 3.35Å; S265-K269 VanDerWaalsContact O-CG 3.28Å; S265-K269 WeakPolarHBondContact O-CG 3.2Å; S265-K269 PolarHBondContact O-N 2.83Å |
| 266 | Y | 94.1 | Very high | 93.6 | Very high | 39 Ų | 39 | 84.3 Ų | 84.3 | 15% | 0.153 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 174.2 | -72.8 | -73.6 | 0 | 0 | 0 | 113.5 | L226 F227 W255 L258 Q262 K263 K269 T270 | L226-Y266 HydrophobicContact CD2-CD1 4.19Å; L226-Y266 HydrophobicContact CD2-CE1 4.23Å; F227-Y266 HydrophobicContact CB-CD1 4.17Å; F227-Y266 HydrophobicContact CB-CD2 4.4Å; F227-Y266 HydrophobicContact CB-CE1 4.16Å; F227-Y266 HydrophobicContact CB-CE2 4.4Å; F227-Y266 HydrophobicContact CB-CG 4.32Å; F227-Y266 HydrophobicContact CD2-CD2 4.31Å; F227-Y266 HydrophobicContact CD2-CE1 4.4Å; F227-Y266 AromaticContact CD2-CE2 3.66Å; F227-Y266 HydrophobicContact CD2-CE2 3.66Å; F227-Y266 AromaticContact CD2-CZ 3.73Å; F227-Y266 HydrophobicContact CE2-CE2 4.45Å; F227-Y266 HydrophobicContact CG-CE2 4.45Å; W255-Y266 HydrophobicContact CZ3-CD2 4.06Å; W255-Y266 HydrophobicContact CZ3-CG 4.25Å; L258-Y266 HydrophobicContact CD1-CD2 4.27Å; L258-Y266 HydrophobicContact CD1-CE2 4.21Å; Q262-Y266 VanDerWaalsContact O-CD2 3.24Å; Q262-Y266 WeakPolarHBondContact O-CD2 3.41Å; Q262-Y266 PolarHBondContact O-N 3.47Å; K263-Y266 PolarHBondContact O-N 3.47Å; Y266-K269 HydrophobicContact CD1-CD 4.15Å; Y266-K269 HydrophobicContact CE1-CD 4.38Å; Y266-K269 PolarHBondContact O-N 3.41Å; Y266-T270 WeakPolarHBondContact O-CB 3.43Å; Y266-T270 PolarHBondContact O-N 3.49Å; Y266-T270 PolarHBondContact O-OG1 3.47Å |
| 267 | K | 93.1 | Very high | 93.4 | Very high | 87 Ų | 87 | 81 Ų | 81 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.9 | -53.1 | 170.8 | -70.8 | 164.9 | -178.4 | 172.9 | 0 | 110.9 | A223 E260 K263 Q264 K269 T270 E271 | A223-K267 HydrophobicContact CB-CG 4.29Å; E260-K267 IonicContact OE1-NZ 2.64Å; E260-K267 PolarHBondContact OE1-NZ 3.14Å; E260-K267 IonicContact OE2-NZ 2.74Å; K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.41Å; Q264-K267 HydrophobicContact CG-CD 4.33Å; Q264-K267 VanDerWaalsContact NE2-NZ 3.15Å; Q264-K267 PolarHBondContact O-N 2.86Å; Q264-K267 VanDerWaalsContact OE1-CD 3.26Å; K267-K269 PolarHBondContact O-N 3.31Å; K267-T270 PolarHBondContact O-N 2.91Å; K267-E271 PolarHBondContact O-N 3.23Å |
| 268 | R | 94.6 | Very high | 93.2 | Very high | 152 Ų | 152 | 82.4 Ų | 82.4 | 57% | 0.574 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 177.2 | -75 | -177.6 | -73 | 169 | -7 | 113.2 | Q264 S265 E271 A272 | Q264-R268 WeakPolarHBondContact O-CB 3.38Å; Q264-R268 WeakPolarHBondContact O-CG 3.45Å; Q264-R268 PolarHBondContact O-N 2.81Å; Q264-R268 PolarHBondContact O-NE 3.48Å; S265-R268 PolarHBondContact O-N 2.73Å; R268-E271 PolarHBondContact O-N 2.89Å; R268-A272 WeakPolarHBondContact O-CB 3.39Å; R268-A272 PolarHBondContact O-N 3.39Å |
| 269 | K | 92.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 87 Ų | 87 | 43% | 0.426 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 174 | -74.7 | 172.7 | -176.9 | -178.1 | 0 | 112 | L226 S265 Y266 K267 A272 A273 | L226-K269 HydrophobicContact CD1-CB 4.41Å; S265-K269 WeakPolarHBondContact O-CB 3.35Å; S265-K269 VanDerWaalsContact O-CG 3.28Å; S265-K269 WeakPolarHBondContact O-CG 3.2Å; S265-K269 PolarHBondContact O-N 2.83Å; Y266-K269 HydrophobicContact CD1-CD 4.15Å; Y266-K269 HydrophobicContact CE1-CD 4.38Å; Y266-K269 PolarHBondContact O-N 3.41Å; K267-K269 PolarHBondContact O-N 3.31Å; K269-A272 PolarHBondContact O-N 3.12Å; K269-A273 WeakPolarHBondContact O-CB 3.26Å; K269-A273 PolarHBondContact O-N 3.3Å |
| 270 | T | 92.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 86.8 Ų | 86.8 | 15% | 0.153 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.3 | -80.2 | 0 | 0 | 0 | 0 | 112.1 | V221 S222 A223 Y266 K267 A273 K274 | V221-T270 WeakPolarHBondContact O-CG2 3.44Å; V221-T270 PolarHBondContact O-OG1 3.41Å; S222-T270 VanDerWaalsContact C-OG1 3.3Å; A223-T270 VanDerWaalsContact CA-OG1 3.3Å; A223-T270 WeakPolarHBondContact CA-OG1 3.24Å; A223-T270 PolarHBondContact N-OG1 2.95Å; A223-T270 VanDerWaalsContact N-OG1 3.11Å; Y266-T270 WeakPolarHBondContact O-CB 3.43Å; Y266-T270 PolarHBondContact O-N 3.49Å; Y266-T270 PolarHBondContact O-OG1 3.47Å; K267-T270 PolarHBondContact O-N 2.91Å; T270-A273 PolarHBondContact O-N 2.9Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 PolarHBondContact O-N 3.46Å |
| 271 | E | 93.3 | Very high | 92.7 | Very high | 132 Ų | 132 | 83.8 Ų | 83.8 | 62% | 0.617 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.3 | -45.1 | 177.4 | -174.2 | 175.2 | -165.7 | 0 | 0 | 112.3 | K267 R268 A273 K274 K275 | K267-E271 PolarHBondContact O-N 3.23Å; R268-E271 PolarHBondContact O-N 2.89Å; E271-A273 VanDerWaalsContact C-N 3.34Å; E271-A273 PolarHBondContact O-N 3.45Å; E271-K274 WeakPolarHBondContact O-CB 3.3Å; E271-K274 PolarHBondContact O-N 2.92Å; E271-K274 VanDerWaalsContact O-N 3.1Å; E271-K275 PolarHBondContact O-N 3.32Å |
| 272 | A | 93.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 79.3 Ų | 79.3 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.8 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R268 K269 K274 K275 E276 | R268-A272 WeakPolarHBondContact O-CB 3.39Å; R268-A272 PolarHBondContact O-N 3.39Å; K269-A272 PolarHBondContact O-N 3.12Å; A272-K274 VanDerWaalsContact C-N 3.3Å; A272-K274 PolarHBondContact O-N 3.1Å; A272-K275 PolarHBondContact O-N 2.94Å; A272-E276 PolarHBondContact O-N 2.94Å |
| 273 | A | 91.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 77.8 Ų | 77.8 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P220 K269 T270 E271 Y277 | P220-A273 HydrophobicContact CB-CB 4.33Å; K269-A273 WeakPolarHBondContact O-CB 3.26Å; K269-A273 PolarHBondContact O-N 3.3Å; T270-A273 PolarHBondContact O-N 2.9Å; E271-A273 VanDerWaalsContact C-N 3.34Å; E271-A273 PolarHBondContact O-N 3.45Å; A273-Y277 VanDerWaalsContact O-CB 3.26Å; A273-Y277 WeakPolarHBondContact O-CB 3.4Å; A273-Y277 PolarHBondContact O-N 2.64Å |
| 274 | K | 91.2 | Very high | 92 | Very high | 123 Ų | 123 | 79 Ų | 79 | 54% | 0.535 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 173.5 | -179.2 | -172.3 | 174.6 | -167.6 | 0 | 112 | P220 T270 E271 A272 Y277 L278 | P220-K274 HydrophobicContact CB-CB 4.27Å; P220-K274 HydrophobicContact CG-CB 3.9Å; P220-K274 HydrophobicContact CG-CG 4.2Å; T270-K274 WeakPolarHBondContact O-CB 3.45Å; T270-K274 PolarHBondContact O-N 3.46Å; E271-K274 WeakPolarHBondContact O-CB 3.3Å; E271-K274 PolarHBondContact O-N 2.92Å; E271-K274 VanDerWaalsContact O-N 3.1Å; A272-K274 VanDerWaalsContact C-N 3.3Å; A272-K274 PolarHBondContact O-N 3.1Å; K274-Y277 PolarHBondContact O-N 3.03Å; K274-L278 WeakPolarHBondContact O-CG 3.39Å; K274-L278 PolarHBondContact O-N 3.33Å; K274-L278 VanDerWaalsContact O-N 3.12Å |
| 275 | K | 92.1 | Very high | 91.7 | Very high | 164 Ų | 164 | 83 Ų | 83 | 71% | 0.713 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 175.2 | -170.7 | 176.9 | -178.1 | 176.1 | 0 | 111 | E271 A272 L278 K279 | E271-K275 PolarHBondContact O-N 3.32Å; A272-K275 PolarHBondContact O-N 2.94Å; K275-L278 PolarHBondContact O-N 2.94Å; K275-K279 PolarHBondContact O-N 2.83Å; K275-K279 VanDerWaalsContact O-N 3.11Å |
| 276 | E | 91.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 84 Ų | 84 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.6 | -36.5 | 179.2 | -165.8 | 57.8 | -149.8 | 0 | 0 | 112.2 | A272 L278 K279 A280 | A272-E276 PolarHBondContact O-N 2.94Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.3Å; E276-K279 PolarHBondContact O-N 2.79Å; E276-K279 IonicContact OE1-NZ 2.83Å; E276-K279 PolarHBondContact OE1-NZ 3.46Å; E276-K279 IonicContact OE2-NZ 3.82Å; E276-K279 PolarHBondContact OE2-NZ 3.19Å; E276-A280 VanDerWaalsContact O-CB 3.3Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.39Å |
| 277 | Y | 91.8 | Very high | 90.8 | Very high | 45 Ų | 45 | 84.6 Ų | 84.6 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 170.7 | 165 | -92.4 | 0 | 0 | 0 | 112.5 | P217 T218 K219 A273 K274 A280 L281 | P217-Y277 HydrophobicContact CB-CD2 3.84Å; P217-Y277 HydrophobicContact CB-CE2 4.07Å; P217-Y277 VanDerWaalsContact O-CE2 3.3Å; P217-Y277 WeakPolarHBondContact O-CE2 3.22Å; T218-Y277 WeakPolarHBondContact O-CD2 3.44Å; K219-Y277 HydrophobicContact CB-CE2 4.37Å; K219-Y277 HydrophobicContact CG-CE2 3.95Å; A273-Y277 VanDerWaalsContact O-CB 3.26Å; A273-Y277 WeakPolarHBondContact O-CB 3.4Å; A273-Y277 PolarHBondContact O-N 2.64Å; K274-Y277 PolarHBondContact O-N 3.03Å; Y277-A280 PolarHBondContact O-N 3.39Å; Y277-L281 HydrophobicContact CE1-CD2 4.16Å; Y277-L281 VanDerWaalsContact O-CB 3.23Å; Y277-L281 WeakPolarHBondContact O-CB 3.5Å; Y277-L281 PolarHBondContact O-N 3.29Å |
| 278 | L | 91.2 | Very high | 90.3 | Very high | 97 Ų | 97 | 84.5 Ų | 84.5 | 51% | 0.508 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 178.4 | -70.5 | 171.3 | 0 | 0 | 0 | 111.9 | K274 K275 E276 L281 A282 | K274-L278 WeakPolarHBondContact O-CG 3.39Å; K274-L278 PolarHBondContact O-N 3.33Å; K274-L278 VanDerWaalsContact O-N 3.12Å; K275-L278 PolarHBondContact O-N 2.94Å; E276-L278 VanDerWaalsContact C-N 3.34Å; E276-L278 PolarHBondContact O-N 3.3Å; L278-L281 PolarHBondContact O-N 3.03Å; L278-A282 PolarHBondContact O-N 3.47Å |
| 279 | K | 92.1 | Very high | 89.4 | Confident | 128 Ų | 128 | 81.5 Ų | 81.5 | 56% | 0.557 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.4 | -47.3 | 173.6 | 169.7 | 167.2 | 158.9 | -101.6 | 0 | 112 | K275 E276 L281 A282 A283 | K275-K279 PolarHBondContact O-N 2.83Å; K275-K279 VanDerWaalsContact O-N 3.11Å; E276-K279 PolarHBondContact O-N 2.79Å; E276-K279 IonicContact OE1-NZ 2.83Å; E276-K279 PolarHBondContact OE1-NZ 3.46Å; E276-K279 IonicContact OE2-NZ 3.82Å; E276-K279 PolarHBondContact OE2-NZ 3.19Å; K279-L281 VanDerWaalsContact C-N 3.34Å; K279-L281 PolarHBondContact O-N 3.31Å; K279-A282 PolarHBondContact O-N 2.88Å; K279-A283 PolarHBondContact O-N 3.17Å |
| 280 | A | 90.6 | Very high | 88.4 | Confident | 34 Ų | 34 | 79.8 Ų | 79.8 | 28% | 0.281 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | P217 E276 Y277 A283 Y284 | P217-A280 HydrophobicContact CB-CB 4.08Å; P217-A280 HydrophobicContact CG-CB 3.81Å; E276-A280 VanDerWaalsContact O-CB 3.3Å; E276-A280 WeakPolarHBondContact O-CB 3.29Å; E276-A280 PolarHBondContact O-N 3.39Å; Y277-A280 PolarHBondContact O-N 3.39Å; A280-A283 PolarHBondContact O-N 3.29Å; A280-Y284 VanDerWaalsContact O-CB 3.24Å; A280-Y284 WeakPolarHBondContact O-CB 3.47Å; A280-Y284 PolarHBondContact O-N 3.33Å |
| 281 | L | 89.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 86.4 Ų | 86.4 | 17% | 0.173 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 175.2 | -179 | 62.7 | 0 | 0 | 0 | 112.3 | Y277 L278 K279 R285 | Y277-L281 HydrophobicContact CE1-CD2 4.16Å; Y277-L281 VanDerWaalsContact O-CB 3.23Å; Y277-L281 WeakPolarHBondContact O-CB 3.5Å; Y277-L281 PolarHBondContact O-N 3.29Å; L278-L281 PolarHBondContact O-N 3.03Å; K279-L281 VanDerWaalsContact C-N 3.34Å; K279-L281 PolarHBondContact O-N 3.31Å; L281-R285 WeakPolarHBondContact O-CB 3.23Å; L281-R285 VanDerWaalsContact O-CG 3.27Å; L281-R285 WeakPolarHBondContact O-CG 3.4Å; L281-R285 PolarHBondContact O-N 2.98Å |
| 282 | A | 89.7 | Confident | 85.8 | Confident | 60 Ų | 60 | 85.4 Ų | 85.4 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.1 | -47 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L278 K279 Y284 R285 A286 | L278-A282 PolarHBondContact O-N 3.47Å; K279-A282 PolarHBondContact O-N 2.88Å; A282-Y284 PolarHBondContact O-N 3.46Å; A282-R285 PolarHBondContact O-N 3.46Å; A282-A286 PolarHBondContact O-N 2.97Å |
| 283 | A | 89.5 | Confident | 84 | Confident | 62 Ų | 62 | 91.5 Ų | 91.5 | 51% | 0.512 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K279 A280 A286 S287 | K279-A283 PolarHBondContact O-N 3.17Å; A280-A283 PolarHBondContact O-N 3.29Å; A283-A286 PolarHBondContact O-N 3.3Å; A283-S287 WeakPolarHBondContact O-CB 3.48Å; A283-S287 PolarHBondContact O-N 3.4Å |
| 284 | Y | 88.8 | Confident | 82 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 25% | 0.247 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.7 | -178.1 | -114.3 | 0 | 0 | 0 | 111.6 | A280 A282 A286 S287 L288 | A280-Y284 VanDerWaalsContact O-CB 3.24Å; A280-Y284 WeakPolarHBondContact O-CB 3.47Å; A280-Y284 PolarHBondContact O-N 3.33Å; A282-Y284 PolarHBondContact O-N 3.46Å; Y284-A286 PolarHBondContact O-N 3.27Å; Y284-S287 PolarHBondContact O-N 3.11Å; Y284-S287 PolarHBondContact O-OG 3.02Å; Y284-L288 HydrophobicContact CD1-CD1 4.11Å; Y284-L288 HydrophobicContact CE1-CD1 3.64Å; Y284-L288 HydrophobicContact CE1-CG 4.26Å; Y284-L288 HydrophobicContact CE2-CD2 4.39Å; Y284-L288 HydrophobicContact CE2-CG 4.39Å; Y284-L288 WeakPolarHBondContact O-CG 3.42Å; Y284-L288 PolarHBondContact O-N 3.18Å |
| 285 | R | 87.7 | Confident | 79.9 | Confident | 159 Ų | 159 | 96 Ų | 96 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.2 | -45.1 | 175.1 | -75 | 168.4 | 173.7 | -172.6 | -4.2 | 112.3 | L281 A282 S287 L288 V289 | L281-R285 WeakPolarHBondContact O-CB 3.23Å; L281-R285 VanDerWaalsContact O-CG 3.27Å; L281-R285 WeakPolarHBondContact O-CG 3.4Å; L281-R285 PolarHBondContact O-N 2.98Å; A282-R285 PolarHBondContact O-N 3.46Å; R285-S287 VanDerWaalsContact C-N 3.33Å; R285-S287 PolarHBondContact O-N 3.24Å; R285-L288 PolarHBondContact O-N 3.3Å; R285-V289 PolarHBondContact O-N 3.2Å |
| 286 | A | 86.8 | Confident | 77.9 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A282 A283 Y284 L288 V289 S290 | A282-A286 PolarHBondContact O-N 2.97Å; A283-A286 PolarHBondContact O-N 3.3Å; Y284-A286 PolarHBondContact O-N 3.27Å; A286-L288 VanDerWaalsContact C-N 3.35Å; A286-L288 PolarHBondContact O-N 2.99Å; A286-V289 PolarHBondContact O-N 3.11Å; A286-S290 PolarHBondContact O-N 3Å; A286-S290 PolarHBondContact O-OG 3Å |
| 287 | S | 83.8 | Confident | 76 | Confident | 52 Ų | 52 | 91.9 Ų | 91.9 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -31.4 | 177.5 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | A283 Y284 R285 S290 K291 | A283-S287 WeakPolarHBondContact O-CB 3.48Å; A283-S287 PolarHBondContact O-N 3.4Å; Y284-S287 PolarHBondContact O-N 3.11Å; Y284-S287 PolarHBondContact O-OG 3.02Å; R285-S287 VanDerWaalsContact C-N 3.33Å; R285-S287 PolarHBondContact O-N 3.24Å; S287-S290 PolarHBondContact O-OG 3.05Å; S287-K291 WeakPolarHBondContact O-CB 3.27Å; S287-K291 PolarHBondContact O-N 3.18Å |
| 288 | L | 82.1 | Confident | 73.8 | Confident | 84 Ų | 84 | 99.2 Ų | 99.2 | 44% | 0.44 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 173.4 | -72.7 | 176.1 | 0 | 0 | 0 | 110.7 | Y284 R285 A286 K291 T292 | Y284-L288 HydrophobicContact CD1-CD1 4.11Å; Y284-L288 HydrophobicContact CE1-CD1 3.64Å; Y284-L288 HydrophobicContact CE1-CG 4.26Å; Y284-L288 HydrophobicContact CE2-CD2 4.39Å; Y284-L288 HydrophobicContact CE2-CG 4.39Å; Y284-L288 WeakPolarHBondContact O-CG 3.42Å; Y284-L288 PolarHBondContact O-N 3.18Å; R285-L288 PolarHBondContact O-N 3.3Å; A286-L288 VanDerWaalsContact C-N 3.35Å; A286-L288 PolarHBondContact O-N 2.99Å; L288-K291 PolarHBondContact O-N 3.32Å; L288-T292 PolarHBondContact O-N 3.35Å; L288-T292 PolarHBondContact O-OG1 3.33Å; L288-T292 VanDerWaalsContact O-OG1 3.11Å |
| 289 | V | 75.1 | Confident | 71.3 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61 | -49 | 177.6 | 176 | 0 | 0 | 0 | 0 | 111 | R285 A286 K291 T292 Y293 | R285-V289 PolarHBondContact O-N 3.2Å; A286-V289 PolarHBondContact O-N 3.11Å; V289-K291 VanDerWaalsContact C-N 3.3Å; V289-K291 PolarHBondContact O-N 3.02Å; V289-T292 PolarHBondContact O-N 3.04Å; V289-Y293 HydrophobicContact CG1-CD2 4.32Å; V289-Y293 HydrophobicContact CG1-CE2 4.27Å; V289-Y293 WeakPolarHBondContact O-CD2 3.3Å; V289-Y293 PolarHBondContact O-N 3.33Å |
| 290 | S | 72.1 | Confident | 69.2 | Low | 62 Ų | 62 | 105.8 Ų | 105.8 | 43% | 0.434 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -27.9 | 178.9 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | A286 S287 Y293 N294 | A286-S290 PolarHBondContact O-N 3Å; A286-S290 PolarHBondContact O-OG 3Å; S287-S290 PolarHBondContact O-OG 3.05Å; S290-Y293 PolarHBondContact O-N 3.2Å; S290-N294 PolarHBondContact O-N 3.3Å; S290-N294 PolarHBondContact O-ND2 2.98Å |
| 291 | K | 67.2 | Low | 66.8 | Low | 165 Ų | 165 | 111 Ų | 111 | 72% | 0.717 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68 | -38.5 | 172.7 | -168.1 | 118.7 | -174 | 170.8 | 0 | 112.1 | S287 L288 V289 Y293 N294 | S287-K291 WeakPolarHBondContact O-CB 3.27Å; S287-K291 PolarHBondContact O-N 3.18Å; L288-K291 PolarHBondContact O-N 3.32Å; V289-K291 VanDerWaalsContact C-N 3.3Å; V289-K291 PolarHBondContact O-N 3.02Å; K291-Y293 PolarHBondContact O-N 3.25Å; K291-N294 PolarHBondContact O-N 3.27Å |
| 292 | T | 63.6 | Low | 64.4 | Low | 110 Ų | 110 | 114.6 Ų | 114.6 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.2 | -30.3 | 174.6 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | L288 V289 | L288-T292 PolarHBondContact O-N 3.35Å; L288-T292 PolarHBondContact O-OG1 3.33Å; L288-T292 VanDerWaalsContact O-OG1 3.11Å; V289-T292 PolarHBondContact O-N 3.04Å |
| 293 | Y | 55.3 | Low | 62.1 | Low | 190 Ų | 190 | 121.2 Ų | 121.2 | 75% | 0.745 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.2 | 177.5 | -82 | -77.8 | 0 | 0 | 0 | 115 | V289 S290 K291 | V289-Y293 HydrophobicContact CG1-CD2 4.32Å; V289-Y293 HydrophobicContact CG1-CE2 4.27Å; V289-Y293 WeakPolarHBondContact O-CD2 3.3Å; V289-Y293 PolarHBondContact O-N 3.33Å; S290-Y293 PolarHBondContact O-N 3.2Å; K291-Y293 PolarHBondContact O-N 3.25Å |
| 294 | N | 50.5 | Low | 59.5 | Low | 133 Ų | 133 | 125 Ų | 125 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 15.7 | 178.9 | -80.9 | -92.9 | 0 | 0 | 0 | 113.4 | S290 K291 P296 | S290-N294 PolarHBondContact O-N 3.3Å; S290-N294 PolarHBondContact O-ND2 2.98Å; K291-N294 PolarHBondContact O-N 3.27Å; N294-P296 WeakPolarHBondContact O-CD 3.29Å |
| 295 | D | 46 | Very low | 57.3 | Low | 129 Ų | 129 | 126.8 Ų | 126.8 | 69% | 0.69 | 70% | 0.699 | S | S | * | * | | | trans | -117.7 | 80.8 | 167.3 | -160.4 | -49.3 | 0 | 0 | 0 | 111.7 | G297 | D295-G297 WeakPolarHBondContact OD1-CA 3.42Å; D295-G297 PolarHBondContact OD1-N 3.33Å |
| 296 | P | 51.2 | Low | 55.2 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | | | trans | -90.2 | 40.4 | 161.1 | 36.6 | -33.9 | 0 | 0 | 0 | 112.2 | N294 | N294-P296 WeakPolarHBondContact O-CD 3.29Š|
| 297 | G | 51.5 | Low | 52.7 | Low | 49 Ų | 49 | 129.7 Ų | 129.7 | 51% | 0.505 | 72% | 0.724 | S | S | . | * | | | trans | 77.3 | 123.3 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | D295 | D295-G297 WeakPolarHBondContact OD1-CA 3.42Å; D295-G297 PolarHBondContact OD1-N 3.33Å |
| 298 | E | 44.8 | Very low | 50.7 | Low | 199 Ų | 199 | 132.3 Ų | 132.3 | 93% | 0.93 | 74% | 0.742 | S | S | * | * | | | trans | -134.2 | 98.7 | 155.9 | -75.3 | -156.9 | 102.2 | 0 | 0 | 112.1 | | |
| 299 | N | 38.2 | Very low | 49.2 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | | | trans | -146.7 | 52.1 | 166.2 | 66.1 | -10.9 | 0 | 0 | 0 | 113.4 | | |
| 300 | K | 48.6 | Very low | 47.3 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -106.3 | 57.9 | -172.8 | -161.8 | -177.1 | 174.8 | 178.8 | 0 | 114.9 | | |
| 301 | T | 40.4 | Very low | 45.7 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -154.6 | 96.8 | 162.4 | 6.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 302 | A | 38.5 | Very low | 44.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -152.7 | 84 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 303 | Q | 43.1 | Very low | 44.1 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | | | trans | -88.6 | 112.4 | -178.1 | -179.1 | -176.9 | 31.5 | 0 | 0 | 110.3 | | |
| 304 | T | 35.2 | Very low | 43.2 | Very low | 140 Ų | 140 | 137 Ų | 137 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -153.2 | 156.2 | 153 | -148.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 305 | S | 42.4 | Very low | 42.4 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -93.2 | 146.1 | -164.2 | -51 | 0 | 0 | 0 | 0 | 113.5 | | |
| 306 | Q | 42.4 | Very low | 41.8 | Very low | 194 Ų | 194 | 136.8 Ų | 136.8 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | | -175 | 159.8 | 112.8 | -98.9 | 174.5 | 38 | 0 | 0 | 112.4 | | |
| 307 | A | 34.8 | Very low | 40.9 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -100.7 | 175.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 308 | S | 41.2 | Very low | 40.4 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | | | cis | -149.1 | -142.5 | 17.7 | -161.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 309 | P | 52.1 | Low | 40 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 62% | 0.623 | 80% | 0.795 | S | S | * | * | | | | -121.8 | -171.7 | -121.2 | 41.7 | -23.6 | 0 | 0 | 0 | 116.7 | | |
| 310 | H | 35.1 | Very low | 40.5 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | | | trans | 75 | 153.3 | 177.4 | -58.5 | -63.1 | 0 | 0 | 0 | 116.1 | | |
| 311 | M | 37 | Very low | 40.8 | Very low | 160 Ų | 160 | 135 Ų | 135 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | cis | -120.6 | 166.1 | 2.5 | -63.4 | -106.1 | 75 | 0 | 0 | 111.7 | | |
| 312 | M | 47.9 | Very low | 41.3 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | -111.2 | 155 | 169.8 | 58.4 | -77.2 | -173 | 0 | 0 | 111.8 | | |
| 313 | P | 48.9 | Very low | 41.6 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -107.4 | 122 | 155.9 | -2.8 | 23.6 | 0 | 0 | 0 | 112.8 | | |
| 314 | T | 36.3 | Very low | 42 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -56.7 | 160.1 | 149.1 | 45.9 | 0 | 0 | 0 | 0 | 111 | | |
| 315 | N | 35.3 | Very low | 42.4 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | cis | -162.5 | 157.2 | 6.6 | -112.8 | -10.2 | 0 | 0 | 0 | 108.1 | | |
| 316 | S | 31.8 | Very low | 42.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | | -165.5 | 136.4 | 123.9 | -160.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 317 | L | 33.7 | Very low | 41.8 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | -100.6 | 141.9 | 172.4 | -60 | 99.9 | 0 | 0 | 0 | 109.4 | | |
| 318 | Y | 41.5 | Very low | 42.1 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | | | trans | -144.4 | 126.4 | 135.4 | -135.1 | -90.1 | 0 | 0 | 0 | 110.6 | V320 | Y318-V320 HydrophobicContact CD1-CG2 4.13Š|
| 319 | S | 35.2 | Very low | 42.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -105.2 | 137.1 | 172.4 | -177 | 0 | 0 | 0 | 0 | 108 | | |
| 320 | V | 48.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | trans | -123.3 | 126.1 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | Y318 | Y318-V320 HydrophobicContact CD1-CG2 4.13Š|
| 321 | P | 56.2 | Low | 42.1 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 159.2 | -166.2 | 33.5 | -37.1 | 0 | 0 | 0 | 113.7 | | |
| 322 | P | 50.3 | Low | 42 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.7 | 167.2 | 31.9 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 323 | A | 44.6 | Very low | 42.2 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 155 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 324 | P | 51.8 | Low | 41.6 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -87.3 | 175.1 | -169.5 | 35.9 | -37.7 | 0 | 0 | 0 | 114.9 | | |
| 325 | Q | 43.6 | Very low | 41.6 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -103.6 | -177.7 | 174.9 | -62.4 | -161.8 | -2.7 | 0 | 0 | 113 | | |
| 326 | S | 36.8 | Very low | 41.9 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | 86.5 | 144.2 | 176.4 | -145.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 327 | S | 35.8 | Very low | 43.1 | Very low | 99 Ų | 99 | 128 Ų | 128 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | -159.9 | 141.4 | 8.8 | -11.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 328 | S | 39.6 | Very low | 43.2 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 50.7 | 175.1 | 142.1 | -100 | 0 | 0 | 0 | 0 | 122.3 | | |
| 329 | P | 56 | Low | 43 | Very low | 114 Ų | 114 | 124.8 Ų | 124.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | cis | -117.2 | -173.3 | -19.1 | 37.4 | -19.8 | 0 | 0 | 0 | 111.4 | | |
| 330 | Y | 34.1 | Very low | 43.1 | Very low | 197 Ų | 197 | 126.2 Ų | 126.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | 178.1 | 142.7 | 72.4 | -175.9 | -111.6 | 0 | 0 | 0 | 112.1 | | |
| 331 | L | 39.9 | Very low | 42.6 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 71% | 0.707 | 77% | 0.771 | S | S | * | * | | | trans | 36 | 130.2 | 167.3 | -66.4 | -169.9 | 0 | 0 | 0 | 123.4 | | |
| 332 | G | 33.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -104.1 | -147.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 333 | P | 53.7 | Low | 40.9 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | cis | -129 | 174.6 | -2.3 | 41.7 | -27 | 0 | 0 | 0 | 114.3 | | |
| 334 | G | 35.5 | Very low | 40.7 | Very low | 76 Ų | 76 | 134.6 Ų | 134.6 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | -148.2 | 122.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 335 | A | 37.1 | Very low | 39.9 | Very low | 74 Ų | 74 | 131.8 Ų | 131.8 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | trans | -81.7 | 173 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 336 | F | 40.1 | Very low | 39.3 | Very low | 201 Ų | 201 | 126.5 Ų | 126.5 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | | -156.7 | 176.9 | 52 | -68.9 | -78.9 | 0 | 0 | 0 | 110.9 | | |
| 337 | P | 57 | Low | 39.6 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -106.5 | -171.9 | -148.9 | 42.3 | -39.1 | 0 | 0 | 0 | 118.9 | | |
| 338 | L | 37 | Very low | 40 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -53.6 | -179.8 | -175.7 | -79.3 | 165 | 0 | 0 | 0 | 120.3 | | |
| 339 | T | 36.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | 95.9 | 133.6 | 165.2 | -27.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 340 | D | 37.8 | Very low | 39.8 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | cis | -153 | 174.1 | 23.2 | -154 | -130.2 | 0 | 0 | 0 | 108.2 | | |
| 341 | L | 37.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 62% | 0.618 | 78% | 0.775 | S | S | * | * | | | cis | -175.1 | 127.8 | -44.6 | 172 | 68.7 | 0 | 0 | 0 | 106.9 | | |
| 342 | Q | 37.7 | Very low | 39.8 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | 66.7 | 158.3 | 157.3 | -74.4 | 171.1 | -12.6 | 0 | 0 | 123.8 | | |
| 343 | S | 34.9 | Very low | 40 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | 75.9 | 131.3 | 173 | -58 | 0 | 0 | 0 | 0 | 117 | | |
| 344 | Y | 39.3 | Very low | 39 | Very low | 227 Ų | 227 | 133.6 Ų | 133.6 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | cis | -140.3 | 166.4 | 2.2 | -152.6 | -102.4 | 0 | 0 | 0 | 111.6 | | |
| 345 | A | 34.6 | Very low | 39.1 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 59% | 0.587 | 77% | 0.774 | S | S | * | * | | | trans | -87 | 155.1 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 346 | G | 32.4 | Very low | 39.3 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | -154.5 | 84.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 347 | H | 41.5 | Very low | 39.2 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -88.2 | 151.1 | -173.9 | -66.8 | -46.2 | 0 | 0 | 0 | 113.8 | | |
| 348 | A | 45.6 | Very low | 38.1 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -134.7 | 122.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 349 | P | 51.2 | Low | 38 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -107.2 | 163.7 | 170.5 | 36.9 | -29.8 | 0 | 0 | 0 | 112.7 | | |
| 350 | R | 38.9 | Very low | 38.2 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -128.7 | 174.7 | 168.7 | -63 | -160.1 | 76.8 | -176.2 | 3.5 | 109.9 | | |
| 351 | H | 40.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | | | trans | 76.1 | 149 | 170.9 | -45.4 | -77.3 | 0 | 0 | 0 | 114.9 | | |
| 352 | A | 34.7 | Very low | 38.8 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | | | cis | -170 | -179.7 | -19.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 353 | L | 36.8 | Very low | 39.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 74 | 160.5 | 164.1 | -44.8 | -179 | 0 | 0 | 0 | 116.8 | | |
| 354 | S | 33 | Very low | 39.7 | Very low | 94 Ų | 94 | 140 Ų | 140 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | cis | -172.5 | 151.9 | -32.6 | -89.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 355 | Q | 36.6 | Very low | 39.5 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | 69.9 | 163.3 | 173.5 | -51.4 | -176.3 | 88.8 | 0 | 0 | 115.1 | | |
| 356 | T | 41.3 | Very low | 39.8 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | cis | -139.6 | -171.9 | 20.6 | 62.9 | 0 | 0 | 0 | 0 | 114 | | |
| 357 | L | 39.4 | Very low | 39.9 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -71.1 | 159.1 | -172.4 | -71.6 | 68.8 | 0 | 0 | 0 | 115.9 | | |
| 358 | S | 33.2 | Very low | 39.7 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | | 132.1 | 133.1 | 112.6 | -148.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 359 | Q | 34.7 | Very low | 39.6 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | 63.2 | 123.6 | 154 | -73.6 | -179.1 | 125.5 | 0 | 0 | 123.3 | | |
| 360 | S | 39.8 | Very low | 39.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -67.4 | 172.9 | 147.4 | -52.6 | 0 | 0 | 0 | 0 | 111 | | |
| 361 | P | 49.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | cis | -147.9 | -161.6 | 24.5 | 39.6 | -15.2 | 0 | 0 | 0 | 117 | | |
| 362 | M | 38.2 | Very low | 40.4 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 86% | 0.862 | 79% | 0.787 | S | S | * | * | | | trans | 105.1 | 141.6 | 163.5 | -58.8 | -61.4 | 172.7 | 0 | 0 | 117.7 | | |
| 363 | L | 44.4 | Very low | 40.3 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -98.1 | 175 | -177.9 | -64 | 167.6 | 0 | 0 | 0 | 110.7 | | |
| 364 | P | 47.1 | Very low | 40.7 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | | -124 | 159.8 | 111.6 | 36 | -33.7 | 0 | 0 | 0 | 113.8 | | |
| 365 | S | 35.5 | Very low | 40.8 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -97.7 | 146.9 | -176.2 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 366 | I | 40.8 | Very low | 41.1 | Very low | 174 Ų | 174 | 135 Ų | 135 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -125.8 | 140.2 | 151.8 | 57.7 | 172.9 | 0 | 0 | 0 | 109 | | |
| 367 | S | 33.9 | Very low | 41.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -110.1 | 139.1 | -169.6 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 368 | A | 38.7 | Very low | 41.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -146.3 | 121.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 369 | S | 43.5 | Very low | 42.6 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 147.9 | -171.3 | -54 | 0 | 0 | 0 | 0 | 113.5 | | |
| 370 | P | 53.2 | Low | 42.7 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 153 | 166.4 | 33.1 | -34.6 | 0 | 0 | 0 | 111.7 | | |
| 371 | P | 54.6 | Low | 43.1 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 155.2 | 176.9 | 31.4 | -35.1 | 0 | 0 | 0 | 113.3 | | |
| 372 | S | 38.5 | Very low | 43.3 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.7 | -170 | -52.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 373 | S | 34.3 | Very low | 43.3 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 140.4 | 165.2 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 374 | F | 45.3 | Very low | 43 | Very low | 207 Ų | 207 | 132.8 Ų | 132.8 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 121.2 | 172.3 | -82.4 | -91.2 | 0 | 0 | 0 | 110.8 | | |
| 375 | Q | 34.3 | Very low | 42.6 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 121.3 | 172.6 | -94.1 | -77.1 | -2.6 | 0 | 0 | 110.2 | S377 | Q375-S377 PolarHBondContact OE1-OG 3.34Š|
| 376 | I | 43.5 | Very low | 42.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | | | trans | -130.6 | 102.9 | 163.1 | -60.1 | -179.5 | 0 | 0 | 0 | 106.9 | | |
| 377 | S | 40.7 | Very low | 42.7 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 144.9 | 175.7 | -72.8 | 0 | 0 | 0 | 0 | 111.3 | Q375 | Q375-S377 PolarHBondContact OE1-OG 3.34Š|
| 378 | P | 47.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 151.2 | 178.5 | 35.6 | -34.8 | 0 | 0 | 0 | 112.9 | | |
| 379 | P | 55.9 | Low | 43.1 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 148.5 | 165.1 | 34.2 | -32.1 | 0 | 0 | 0 | 112.2 | | |
| 380 | L | 36.2 | Very low | 42.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -126.7 | 127.5 | -179.1 | -84.9 | 169.3 | 0 | 0 | 0 | 112.4 | | |
| 381 | H | 48.1 | Very low | 41.8 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 59.6 | 151.6 | 148.7 | -83.5 | -111.2 | 0 | 0 | 0 | 118.9 | | |
| 382 | P | 54.8 | Low | 41 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | | -119.3 | 166.6 | 51.9 | 9.3 | 16.1 | 0 | 0 | 0 | 113.9 | | |
| 383 | H | 38.5 | Very low | 41 | Very low | 156 Ų | 156 | 141 Ų | 141 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | cis | 105.4 | 142.3 | 28.9 | -156.3 | -77.8 | 0 | 0 | 0 | 113.1 | | |
| 384 | Q | 36.9 | Very low | 41.3 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | trans | 70.1 | 152.4 | -176.3 | -93.5 | -166.5 | 67.4 | 0 | 0 | 117 | | |
| 385 | Q | 39.3 | Very low | 40.8 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | cis | -152.5 | 166.4 | -9.3 | -175.3 | 161.7 | -112 | 0 | 0 | 111.2 | | |
| 386 | L | 40.5 | Very low | 40.7 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -63.1 | 153.4 | 170.6 | -66.1 | 67.7 | 0 | 0 | 0 | 113.5 | | |
| 387 | S | 38.8 | Very low | 41 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | | 167.1 | 173.1 | 106.6 | -158.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 388 | L | 37.7 | Very low | 41.4 | Very low | 151 Ų | 151 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | trans | -69.4 | 159.6 | -178.7 | -69.9 | 137.3 | 0 | 0 | 0 | 115.1 | | |
| 389 | H | 42 | Very low | 40.9 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | | -179.5 | 135.1 | 123.7 | -87.2 | 95.6 | 0 | 0 | 0 | 106.9 | | |
| 390 | Q | 34 | Very low | 40.2 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | | 55.9 | 137.7 | 66.1 | -115.3 | -146 | 115.4 | 0 | 0 | 113.9 | | |
| 391 | S | 37 | Very low | 40.5 | Very low | 85 Ų | 85 | 146 Ų | 146 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | | | cis | -153.8 | 145.1 | 11.4 | -35.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 392 | S | 36.3 | Very low | 40 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | | 80.7 | 165.6 | 95 | -160.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 393 | L | 39.6 | Very low | 39.2 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 75.1 | 140.8 | -175.8 | -49.9 | 178.9 | 0 | 0 | 0 | 115.1 | | |
| 394 | L | 39.4 | Very low | 39.1 | Very low | 145 Ų | 145 | 146.4 Ų | 146.4 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | cis | -154.4 | 134.6 | -4 | -110.5 | 163.3 | 0 | 0 | 0 | 112.1 | | |
| 395 | N | 34.8 | Very low | 39 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | | | trans | 42.4 | 113.3 | 137.9 | -144.8 | -96 | 0 | 0 | 0 | 123.6 | | |
| 396 | Q | 32 | Very low | 38.9 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | | 35.4 | 171.9 | 122.4 | -62.8 | -73.5 | 8.7 | 0 | 0 | 122.3 | | |
| 397 | P | 51.2 | Low | 39.5 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | | | cis | -130.6 | -176.9 | -5.2 | 28 | -3.7 | 0 | 0 | 0 | 116.5 | | |
| 398 | I | 47.9 | Very low | 39.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | -75.2 | 149.1 | 170.6 | -64 | 152.6 | 0 | 0 | 0 | 112.7 | | |
| 399 | R | 37.9 | Very low | 39.5 | Very low | 199 Ų | 199 | 141.9 Ų | 141.9 | 75% | 0.751 | 73% | 0.734 | S | S | * | * | | | trans | -148.1 | 144.9 | 152 | -151.5 | -164.1 | -176.4 | -139.3 | -0 | 113.7 | | |
| 400 | M | 40.7 | Very low | 39 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | | | trans | -96.9 | 155.3 | 167.2 | -63.1 | -154.2 | -53 | 0 | 0 | 113.1 | | |
| 401 | Q | 42.1 | Very low | 39.2 | Very low | 150 Ų | 150 | 137.7 Ų | 137.7 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | -164 | 120.6 | 164.1 | -147.8 | 144.2 | 7.1 | 0 | 0 | 105.3 | | |
| 402 | Q | 38.8 | Very low | 39.4 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | cis | 60.9 | 110.1 | 30.9 | -164.6 | -170 | -8.5 | 0 | 0 | 114.6 | | |
| 403 | V | 37.9 | Very low | 39.7 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | | | trans | 166.1 | 123.2 | 134.2 | 150.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 404 | Q | 35.8 | Very low | 39.5 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | | | trans | 52.9 | 165.7 | 146.8 | -67.9 | 173.2 | -0.6 | 0 | 0 | 123 | | |
| 405 | S | 35.9 | Very low | 39.5 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | cis | -178.4 | 165.8 | -47 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 406 | Q | 37.7 | Very low | 39.7 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | 73.1 | 159.7 | 156.6 | -64.4 | -55.1 | 41.1 | 0 | 0 | 120 | | |
| 407 | P | 51.3 | Low | 39.6 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | | | cis | -149.3 | 163.9 | -33.7 | 40.6 | -23.2 | 0 | 0 | 0 | 118.9 | | |
| 408 | I | 35.7 | Very low | 38.6 | Very low | 143 Ų | 143 | 143 Ų | 143 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | 76.8 | 155.4 | 133.5 | -77.1 | 168.4 | 0 | 0 | 0 | 123.1 | | |
| 409 | I | 41.8 | Very low | 37.9 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 76.7 | 121.8 | -179.1 | -61.6 | 134.6 | 0 | 0 | 0 | 114.8 | | |
| 410 | S | 31.9 | Very low | 37.7 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 58% | 0.58 | 76% | 0.758 | S | S | * | * | | | cis | 110.3 | 146.8 | 7.8 | -167.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 411 | H | 38.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | | | trans | 76.4 | 148.3 | 174 | -49.8 | -65.1 | 0 | 0 | 0 | 116.2 | | |
| 412 | Q | 40.3 | Very low | 37.7 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | cis | -158.2 | 168.4 | -11.1 | 166.2 | 176.8 | 96.8 | 0 | 0 | 110.2 | | |
| 413 | M | 41.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 135 Ų | 135 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | | | trans | -77.4 | 159.3 | 179.2 | -50.1 | -175.2 | -60.8 | 0 | 0 | 115.4 | | |
| 414 | G | 37 | Very low | 39.4 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | -179.3 | 106.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 415 | L | 38.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | | 56 | 98.6 | 77.5 | -65.4 | -177.7 | 0 | 0 | 0 | 114.6 | | |
| 416 | Q | 39 | Very low | 39.5 | Very low | 202 Ų | 202 | 135.4 Ų | 135.4 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | | | | -168.5 | 176.3 | 113.6 | -103.7 | -179.3 | 9.4 | 0 | 0 | 111.1 | | |
| 417 | A | 30.5 | Very low | 39.5 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -147.3 | 176.6 | -167 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 418 | S | 29.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | 103.9 | 152.6 | 146 | -144.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 419 | L | 32.7 | Very low | 38.4 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | trans | 70 | 123.9 | 167 | -53 | 167.1 | 0 | 0 | 0 | 116.3 | | |
| 420 | H | 34.7 | Very low | 38.1 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | cis | -145.7 | 178.5 | 35.3 | -89.1 | 98.5 | 0 | 0 | 0 | 115.3 | | |
| 421 | S | 33.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -117.4 | 175.6 | -172.6 | -105.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 422 | P | 49.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -103.2 | -141.3 | -160.5 | 44.4 | -38.1 | 0 | 0 | 0 | 115.8 | | |
| 423 | P | 63.2 | Low | 37.6 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | | -125.8 | 170.5 | -122.3 | 40.3 | -20.9 | 0 | 0 | 0 | 118.2 | | |
| 424 | P | 49.5 | Very low | 37.7 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | trans | -138.1 | 171.1 | 146.4 | 38.6 | -25.1 | 0 | 0 | 0 | 113.5 | | |
| 425 | G | 33.2 | Very low | 37.4 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | cis | 153.9 | 116.6 | -15.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 426 | Q | 39.5 | Very low | 37.1 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 71.8 | 141.5 | 154.1 | -74.5 | -96.5 | 51.6 | 0 | 0 | 122.4 | | |
| 427 | Q | 38.3 | Very low | 37.1 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | | | trans | 67.2 | 154.4 | 162.7 | -34.8 | -155.6 | -5.2 | 0 | 0 | 119.4 | | |
| 428 | G | 30.2 | Very low | 37.3 | Very low | 66 Ų | 66 | 136.5 Ų | 136.5 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | cis | 174.2 | 148.5 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 429 | F | 33.5 | Very low | 37.6 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 90% | 0.899 | 74% | 0.742 | S | S | * | * | | | trans | 55.2 | 131.8 | 157.6 | -77.1 | -73.8 | 0 | 0 | 0 | 125.7 | | |
| 430 | S | 34.9 | Very low | 37.7 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | 66 | 130.1 | 135.5 | -62.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 431 | H | 34.5 | Very low | 37.6 | Very low | 162 Ų | 162 | 132 Ų | 132 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | | | | -177.5 | 170.7 | 93.6 | -168.5 | 38.1 | 0 | 0 | 0 | 113 | | |
| 432 | L | 36.4 | Very low | 37.4 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 67 | 149.3 | 173.7 | -63.4 | 171.2 | 0 | 0 | 0 | 120.2 | | |
| 433 | Q | 30.5 | Very low | 36.7 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | | -158.3 | 152.9 | -59.5 | 174.5 | 161.2 | -12 | 0 | 0 | 109.6 | | |
| 434 | S | 42.2 | Very low | 35.2 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | -82.3 | 161.6 | -176.9 | -44.6 | 0 | 0 | 0 | 0 | 116 | | |
| 435 | E | 31.5 | Very low | 34.7 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | trans | 168.9 | 162.4 | 137.2 | -90.4 | -19 | 113.2 | 0 | 0 | 109.6 | | |
| 436 | Y | 33 | Very low | 35.5 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | cis | -146.4 | 131.9 | -6.2 | -159.8 | -98.7 | 0 | 0 | 0 | 105.1 | | |
| 437 | Q | 37.3 | Very low | 35.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 46% | 0.463 | 75% | 0.746 | S | S | . | * | | | cis | 95.6 | 104.4 | 39.6 | 177 | 91.1 | -70.8 | 0 | 0 | 113.8 | | |
| 438 | K | 35.9 | Very low | 35.1 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | 68.8 | 163.2 | 152.5 | -73.2 | 172.9 | -174.5 | 145.9 | 0 | 118.5 | | |
| 439 | S | 34.9 | Very low | 35.9 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 63% | 0.629 | 75% | 0.753 | S | S | * | * | | | cis | -164.8 | -178.9 | -8.9 | -112 | 0 | 0 | 0 | 0 | 111 | | |
| 440 | I | 35.6 | Very low | 35.8 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | | | trans | 74.5 | 142.3 | 165.4 | -38 | -57.4 | 0 | 0 | 0 | 114.3 | | |
| 441 | G | 31.5 | Very low | 35.8 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | cis | 134.9 | 111.4 | -12 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 442 | G | 30 | Very low | 35.7 | Very low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 119.8 | 120.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 443 | S | 34.1 | Very low | 36.3 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | | 69.6 | 124.2 | 125 | -54.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 444 | Q | 33.3 | Very low | 36.4 | Very low | 194 Ų | 194 | 115.4 Ų | 115.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | | | trans | 89.4 | 121.9 | 150.2 | -63.2 | 173.2 | 123.9 | 0 | 0 | 120.5 | | |
| 445 | S | 38.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -85.8 | 178.3 | 152.8 | -146.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 446 | P | 51 | Low | 36.6 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | cis | -130.4 | 176.2 | 0.1 | 42 | -25.8 | 0 | 0 | 0 | 115 | | |
| 447 | G | 30.1 | Very low | 36.8 | Very low | 79 Ų | 79 | 112.1 Ų | 112.1 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | 176.3 | 71.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 448 | A | 38 | Very low | 36.6 | Very low | 97 Ų | 97 | 111.1 Ų | 111.1 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -90.8 | 161.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 449 | P | 47.2 | Very low | 36.5 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | cis | -138.7 | -169.4 | 23 | 43.4 | -25.5 | 0 | 0 | 0 | 115 | | |
| 450 | G | 32.9 | Very low | 36.4 | Very low | 67 Ų | 67 | 114 Ų | 114 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | 149.5 | 91.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 451 | S | 34.1 | Very low | 36.5 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | 37.9 | 120.5 | 132.2 | -49.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 452 | G | 32.2 | Very low | 36.3 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | 163.3 | 88.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 453 | P | 48.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 125.1 Ų | 125.1 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | | | trans | -82 | 145.1 | 172.6 | 33.1 | -33.2 | 0 | 0 | 0 | 112.5 | | |
| 454 | G | 33.8 | Very low | 36.4 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | -138.8 | 156 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 455 | P | 45.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 121.1 Ų | 121.1 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | | | trans | -120.3 | 164.6 | -143.7 | 40.3 | -29.7 | 0 | 0 | 0 | 117.3 | | |
| 456 | G | 31.2 | Very low | 36.4 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 103 | 130.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 457 | V | 37.1 | Very low | 35.5 | Very low | 154 Ų | 154 | 127 Ų | 127 | 93% | 0.933 | 80% | 0.798 | S | S | * | * | | | cis | -126.8 | 165.2 | 26.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 458 | A | 33.4 | Very low | 35.7 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | trans | -98.5 | 146.4 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 459 | Q | 33.7 | Very low | 35.5 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | 57 | 131.5 | 156.1 | -62.5 | 173.1 | -1.9 | 0 | 0 | 117.2 | | |
| 460 | T | 33.5 | Very low | 35.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | cis | -145.7 | 139.9 | 46.6 | 49.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 461 | H | 36.2 | Very low | 35.9 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | trans | -101.3 | 162.5 | 152.2 | -98.3 | -134.1 | 0 | 0 | 0 | 107.2 | | |
| 462 | E | 29.2 | Very low | 35.9 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | | | cis | -158 | 151.3 | 6.1 | -144.3 | 171.6 | 75.8 | 0 | 0 | 111.7 | | |
| 463 | W | 34.2 | Very low | 36.2 | Very low | 233 Ų | 233 | 137.4 Ų | 137.4 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 150.2 | 78.2 | 134.7 | -87.1 | 2.7 | 0 | 0 | 0 | 111 | | |
| 464 | D | 30.8 | Very low | 35.9 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -83.5 | 156.1 | 159.8 | -148.1 | -58.5 | 0 | 0 | 0 | 110 | E466 | D464-E466 PolarHBondContact OD1-N 3.39Š|
| 465 | G | 33.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -148.1 | 24.5 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 466 | E | 37.8 | Very low | 36.2 | Very low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -73.1 | 165.5 | 177.7 | -73.4 | -159.1 | 127.4 | 0 | 0 | 114.7 | D464 | D464-E466 PolarHBondContact OD1-N 3.39Š|
| 467 | Y | 31.7 | Very low | 36.8 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | 68.7 | 73.5 | 159.2 | -101.7 | -97.3 | 0 | 0 | 0 | 120.3 | N469 | Y467-N469 VanDerWaalsContact C-N 3.29Å; Y467-N469 HydrophobicContact CD1-CB 4.35Å; Y467-N469 HydrophobicContact CE1-CB 4.42Å; Y467-N469 PolarHBondContact O-N 3.33Å |
| 468 | C | 35.3 | Very low | 37.2 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | trans | -82.7 | 70.2 | 149.4 | -80.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 469 | N | 32.4 | Very low | 37.6 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 57% | 0.572 | 81% | 0.805 | S | S | * | * | | | trans | -151.8 | 133.3 | 153.5 | -120.8 | -108.5 | 0 | 0 | 0 | 106.5 | Y467 | Y467-N469 VanDerWaalsContact C-N 3.29Å; Y467-N469 HydrophobicContact CD1-CB 4.35Å; Y467-N469 HydrophobicContact CE1-CB 4.42Å; Y467-N469 PolarHBondContact O-N 3.33Å |
| 470 | R | 43.6 | Very low | 37.9 | Very low | 208 Ų | 208 | 155.5 Ų | 155.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | S | Bend | cis | -143.8 | -158.2 | 19.4 | -159.1 | -175.6 | -97 | -166.9 | -9 | 109.8 | | |
| 471 | E | 44.8 | Very low | 38 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | | | trans | 52.9 | 59.6 | 173.6 | -84.6 | 80.5 | 138.7 | 0 | 0 | 118.5 | | |
| 472 | C | 34.9 | Very low | 38.3 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | | | trans | -150 | 115.9 | 143.8 | -156.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 473 | G | 38 | Very low | 38.7 | Very low | 58 Ų | 58 | 152.2 Ų | 152.2 | 60% | 0.598 | 81% | 0.813 | S | S | * | * | | | trans | -87.9 | 144.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | H475 | G473-H475 PolarHBondContact O-N 3.44Š|
| 474 | N | 43.1 | Very low | 39.1 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 65.4 | 14.3 | 152.9 | -62 | -27.1 | 0 | 0 | 0 | 120.9 | | |
| 475 | H | 44.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -128.6 | 15.1 | 179.1 | -126.5 | -142 | 0 | 0 | 0 | 118.6 | G473 | G473-H475 PolarHBondContact O-N 3.44Š|
| 476 | C | 41.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 151.6 Ų | 151.6 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | | | trans | -102.7 | 67.6 | 178.1 | -151.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 477 | R | 43.7 | Very low | 39.9 | Very low | 245 Ų | 245 | 150.7 Ų | 150.7 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -140.2 | 0.6 | -178.6 | -116.7 | -173.3 | -149 | -126.6 | 7.7 | 118.3 | | |
| 478 | L | 44.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -123.5 | -14.8 | -174 | -72.3 | 171.6 | 0 | 0 | 0 | 116 | H480 | L478-H480 VanDerWaalsContact C-N 3.33Å; L478-H480 PolarHBondContact O-N 3.35Å |
| 479 | C | 41.2 | Very low | 41 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 92% | 0.919 | 81% | 0.808 | S | S | * | * | | | trans | -85.8 | 55.7 | -172.4 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 480 | H | 40.3 | Very low | 41.5 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 88% | 0.884 | 82% | 0.823 | S | S | * | * | | | trans | -147.2 | 38.3 | 166.2 | -154 | -66.9 | 0 | 0 | 0 | 113.4 | L478 | L478-H480 VanDerWaalsContact C-N 3.33Å; L478-H480 PolarHBondContact O-N 3.35Å |
| 481 | G | 35.3 | Very low | 41.2 | Very low | 62 Ų | 62 | 153.1 Ų | 153.1 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -109.1 | 141.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 482 | S | 43 | Very low | 40.9 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | | | trans | 45.9 | 92.1 | 164 | -62.6 | 0 | 0 | 0 | 0 | 119 | | |
| 483 | M | 37.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 156.5 Ų | 156.5 | 96% | 0.961 | 85% | 0.847 | S | S | * | * | | | trans | -119 | 91.8 | 138 | -75 | -159.8 | -69.2 | 0 | 0 | 109.3 | | |
| 484 | I | 42.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 161.5 Ų | 161.5 | 72% | 0.723 | 86% | 0.859 | S | S | * | * | | | trans | -87.6 | 104.9 | 166.3 | -69.6 | 175.5 | 0 | 0 | 0 | 106.6 | R486 | I484-R486 HydrophobicContact CG2-CG 4.31Å; I484-R486 PolarHBondContact O-N 3.33Å |
| 485 | G | 39.2 | Very low | 41.2 | Very low | 82 Ų | 82 | 160.8 Ų | 160.8 | 85% | 0.845 | 86% | 0.856 | S | S | * | * | | | trans | -72.1 | 111.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 486 | R | 38.7 | Very low | 41 | Very low | 214 Ų | 214 | 159.9 Ų | 159.9 | 81% | 0.808 | 86% | 0.858 | S | S | * | * | | | trans | -93.3 | 143.8 | 174.1 | -95 | -177.3 | 165.3 | 156.6 | -4.7 | 111.8 | I484 | I484-R486 HydrophobicContact CG2-CG 4.31Å; I484-R486 PolarHBondContact O-N 3.33Å |
| 487 | D | 40.8 | Very low | 41 | Very low | 140 Ų | 140 | 161.4 Ų | 161.4 | 75% | 0.749 | 86% | 0.855 | S | S | * | * | | | trans | 38.8 | 127.6 | 152.4 | -61.7 | -90 | 0 | 0 | 0 | 121.3 | | |
| 488 | K | 39.2 | Very low | 40.8 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | | | trans | -101.1 | 128.8 | 158.6 | -65.4 | 173.9 | 177.4 | 179.2 | 0 | 107.8 | L490 | K488-L490 PolarHBondContact O-N 3.45Š|
| 489 | P | 52 | Low | 40.5 | Very low | 122 Ų | 122 | 155.7 Ų | 155.7 | 79% | 0.792 | 85% | 0.85 | S | S | * | * | | | trans | -70.7 | 121.5 | 173.8 | 28.5 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 490 | L | 42.2 | Very low | 40.5 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 89% | 0.885 | 85% | 0.845 | S | S | * | * | | | trans | -87.8 | 111.7 | 162.4 | -88 | 166.6 | 0 | 0 | 0 | 108.3 | K488 | K488-L490 PolarHBondContact O-N 3.45Š|
| 491 | Y | 37.3 | Very low | 40.5 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | | | trans | -83.7 | 133.8 | 162 | -107.5 | -91.4 | 0 | 0 | 0 | 109.2 | | |
| 492 | L | 39.1 | Very low | 40.9 | Very low | 157 Ų | 157 | 162.3 Ų | 162.3 | 82% | 0.822 | 86% | 0.859 | S | S | * | * | | | trans | -152.3 | 126 | 169.1 | -146.6 | 84.4 | 0 | 0 | 0 | 109.5 | | |
| 493 | T | 39.5 | Very low | 40.7 | Very low | 206 Ų | 206 | 167 Ų | 167 | 100% | 1.264 | 87% | 0.868 | S | S | * | * | | | trans | 75.4 | 0 | -168 | -19.7 | 0 | 0 | 0 | 0 | 113.8 | | |