| 1 | M | 41.7 | Very low | 47.7 | Very low | 256 Ų | 256 | 158.3 Ų | 158.3 | 100% | 1.261 | 81% | 0.811 | S | S | * | * | | | | 0 | 104.4 | 0 | -99.4 | 176.9 | 171.5 | 0 | 0 | 107.4 | | |
| 2 | A | 40.9 | Very low | 46.9 | Very low | 100 Ų | 100 | 152.4 Ų | 152.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -122 | 118.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 3 | I | 51.9 | Low | 46.8 | Very low | 167 Ų | 167 | 153.1 Ų | 153.1 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | -78.7 | 116.2 | 166.3 | 45.6 | 162.1 | 0 | 0 | 0 | 106.4 | | |
| 4 | N | 51 | Low | 46.3 | Very low | 134 Ų | 134 | 155 Ų | 155 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | | | trans | -115.3 | 114.2 | 169.3 | -147 | 28.5 | 0 | 0 | 0 | 107.6 | D6 | N4-D6 PolarHBondContact ND2-OD2 3.17Š|
| 5 | I | 57.9 | Low | 45.4 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -101.7 | 93 | 172.1 | -61.1 | -70 | 0 | 0 | 0 | 104.8 | | |
| 6 | D | 48 | Very low | 44.9 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | | | trans | -108.1 | 101.5 | 163.4 | -79.9 | -71.6 | 0 | 0 | 0 | 107.1 | N4 | N4-D6 PolarHBondContact ND2-OD2 3.17Š|
| 7 | T | 53.7 | Low | 44.1 | Very low | 107 Ų | 107 | 150.5 Ų | 150.5 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | | | trans | -48.1 | 133.9 | 145 | -52.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 8 | E | 49 | Very low | 43.5 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | | | trans | 162.9 | 130.4 | 130.8 | -80.5 | -80.7 | 98.1 | 0 | 0 | 108.9 | | |
| 9 | F | 45.8 | Very low | 42.8 | Very low | 174 Ų | 174 | 151.7 Ų | 151.7 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | | | trans | 76 | 130.8 | 145 | -105.4 | -109.8 | 0 | 0 | 0 | 121.1 | | |
| 10 | E | 47.8 | Very low | 42.5 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | 80.4 | 83.7 | 143.9 | -147.1 | 179.2 | 110.9 | 0 | 0 | 116.8 | | |
| 11 | K | 37.3 | Very low | 42.6 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | | | trans | -137 | 89.9 | 136.1 | -155.1 | 169.1 | -177.1 | -173.5 | 0 | 112.2 | | |
| 12 | S | 37.9 | Very low | 42.1 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | | | trans | -36.7 | 134.9 | 154.6 | -37.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 13 | N | 45.2 | Very low | 42 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -10.5 | 132.7 | 158.5 | -72.7 | -88.3 | 0 | 0 | 0 | 118.1 | | |
| 14 | L | 40.1 | Very low | 40.9 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 94% | 0.942 | 79% | 0.786 | S | S | * | * | | | trans | -151.2 | 117.8 | 143.3 | -158.4 | 72.3 | 0 | 0 | 0 | 111.9 | | |
| 15 | G | 33.3 | Very low | 40.7 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 100.8 | 77.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 16 | E | 36.7 | Very low | 39.6 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | | 59.6 | 105.3 | 79.4 | -164.1 | 179.2 | 107.3 | 0 | 0 | 114.4 | | |
| 17 | S | 32.3 | Very low | 39.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | | -175.7 | 120.4 | 113.7 | -162.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 18 | G | 32.4 | Very low | 38.8 | Very low | 75 Ų | 75 | 144.5 Ų | 144.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 101.5 | 85.9 | 140.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 19 | R | 29.8 | Very low | 38.4 | Very low | 250 Ų | 250 | 145.4 Ų | 145.4 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | | | | 149.8 | 108.6 | 120.7 | -168.4 | 106.2 | -179.4 | 176.9 | 0.9 | 111.4 | | |
| 20 | A | 37.3 | Very low | 38 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | -115.4 | 177.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 21 | P | 45.7 | Very low | 37.3 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -126.1 | 168.7 | -17.1 | 34.4 | -17.3 | 0 | 0 | 0 | 112 | | |
| 22 | A | 31.2 | Very low | 37.2 | Very low | 104 Ų | 104 | 142 Ų | 142 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -149.1 | 89.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 23 | N | 37.8 | Very low | 37 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | | | trans | -89.6 | 122.5 | 166.1 | -53.8 | -22.6 | 0 | 0 | 0 | 106 | | |
| 24 | E | 29.8 | Very low | 37.2 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -169.3 | 93.7 | 148.6 | -114.7 | 174.3 | 78.8 | 0 | 0 | 108.9 | | |
| 25 | S | 46.7 | Very low | 36.8 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -106.2 | 146.4 | 143.2 | -76.2 | 0 | 0 | 0 | 0 | 105.7 | | |
| 26 | Q | 34.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 88 | 121.4 | -161.6 | -60.1 | -178.8 | 11.1 | 0 | 0 | 108.7 | | |
| 27 | E | 37.1 | Very low | 36.7 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | cis | -144.8 | 133 | 27.5 | -66.9 | 179.4 | 104.6 | 0 | 0 | 109.3 | | |
| 28 | T | 46.6 | Very low | 37 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -40.1 | 162.1 | 142.3 | 42.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 29 | E | 41.6 | Very low | 37.6 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 97.4 | 89.7 | 159.8 | -38 | -155.4 | 97.6 | 0 | 0 | 112.5 | | |
| 30 | K | 37.6 | Very low | 37.6 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | 70.7 | 136.1 | 91.5 | -135 | -167 | -171.3 | -168.2 | 0 | 110.8 | | |
| 31 | L | 32.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | 94 | 125.4 | 161.9 | -47.4 | -176.7 | 0 | 0 | 0 | 114.6 | | |
| 32 | L | 35.3 | Very low | 36.7 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 73.4 | 127.1 | 151.7 | -59.6 | 145.5 | 0 | 0 | 0 | 114 | | |
| 33 | S | 33.4 | Very low | 36.9 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | | | cis | 179.9 | 153.2 | -8.7 | 20.9 | 0 | 0 | 0 | 0 | 103.2 | V35 | S33-V35 PolarHBondContact O-N 3.44Š|
| 34 | P | 49.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -70.7 | 128.3 | 175.4 | 31.8 | -31.9 | 0 | 0 | 0 | 108.5 | | |
| 35 | V | 32.2 | Very low | 36.9 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | -168.4 | 115.9 | 153.5 | 120 | 0 | 0 | 0 | 0 | 110.9 | S33 | S33-V35 PolarHBondContact O-N 3.44Š|
| 36 | T | 32.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | 59.1 | 110.6 | 139 | -45.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 37 | T | 34.1 | Very low | 36.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | | -165.2 | 89.6 | 101.6 | -60 | 0 | 0 | 0 | 0 | 109.2 | | |
| 38 | E | 39.5 | Very low | 36.4 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -72.1 | 158 | 145.2 | -66.5 | -98.9 | 97 | 0 | 0 | 106.7 | | |
| 39 | P | 44.4 | Very low | 35.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | cis | -150.6 | 157.5 | 40 | 37.8 | -16.2 | 0 | 0 | 0 | 117.5 | | |
| 40 | A | 30.9 | Very low | 35.7 | Very low | 101 Ų | 101 | 129.3 Ų | 129.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -171.2 | 98.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 41 | G | 31.4 | Very low | 35.5 | Very low | 88 Ų | 88 | 129.6 Ų | 129.6 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | | | trans | 87.6 | 120.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 42 | G | 32 | Very low | 35.8 | Very low | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | cis | 172 | 146.5 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 43 | N | 35 | Very low | 35.7 | Very low | 178 Ų | 178 | 126.9 Ų | 126.9 | 95% | 0.952 | 78% | 0.782 | S | S | * | * | | | trans | 56.6 | 124.8 | 166.2 | -60.9 | 1.9 | 0 | 0 | 0 | 117.6 | | |
| 44 | G | 34.4 | Very low | 36.3 | Very low | 60 Ų | 60 | 129.9 Ų | 129.9 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | cis | 166 | 128.9 | 9.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 45 | M | 33.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | 45 | 113.7 | 144.6 | -38.7 | 163.5 | -167.5 | 0 | 0 | 117.7 | | |
| 46 | K | 32.3 | Very low | 35.9 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | | 153.3 | 115.8 | 117.9 | -74.9 | 148.4 | -149.6 | -68.2 | 0 | 110.9 | | |
| 47 | M | 36.2 | Very low | 36 | Very low | 181 Ų | 181 | 125.5 Ų | 125.5 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | | | trans | -62.7 | 140 | 162.8 | -168.9 | 159.4 | -177 | 0 | 0 | 110.1 | | |
| 48 | S | 38.7 | Very low | 36.1 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 168.4 | 136.8 | 136.1 | -80.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 49 | S | 35.7 | Very low | 36 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | 53.9 | 127.4 | 137.2 | 69.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 50 | S | 39.1 | Very low | 35.5 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -4.5 | 136.5 | 151.1 | -54.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 51 | F | 33.3 | Very low | 36.1 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -136.9 | 102.4 | 152 | -137 | -95.4 | 0 | 0 | 0 | 110 | V53 | F51-V53 HydrophobicContact CD1-CB 4.3Å; F51-V53 HydrophobicContact CD1-CG2 3.41Å; F51-V53 VanDerWaalsContact CD1-CG2 3.41Å; F51-V53 HydrophobicContact CE1-CG2 3.43Å; F51-V53 VanDerWaalsContact CE1-CG2 3.43Å |
| 52 | T | 39 | Very low | 36.3 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 123.2 | 151.8 | 21 | 0 | 0 | 0 | 0 | 108.1 | | |
| 53 | V | 32.9 | Very low | 37 | Very low | 98 Ų | 98 | 138 Ų | 138 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | | | trans | -126.4 | 105.6 | 163.2 | 142.8 | 0 | 0 | 0 | 0 | 109.5 | F51 V55 | F51-V53 HydrophobicContact CD1-CB 4.3Å; F51-V53 HydrophobicContact CD1-CG2 3.41Å; F51-V53 VanDerWaalsContact CD1-CG2 3.41Å; F51-V53 HydrophobicContact CE1-CG2 3.43Å; F51-V53 VanDerWaalsContact CE1-CG2 3.43Å; V53-V55 HydrophobicContact CG1-CG2 3.37Å |
| 54 | N | 45.9 | Very low | 37.2 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 118.5 | 150.8 | 179.6 | 55 | 0 | 0 | 0 | 107.9 | | |
| 55 | V | 35.5 | Very low | 37.9 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | | | trans | -117.3 | 101.8 | 159.2 | -179.7 | 0 | 0 | 0 | 0 | 103.8 | V53 | V53-V55 HydrophobicContact CG1-CG2 3.37Š|
| 56 | G | 36.9 | Very low | 38.2 | Very low | 50 Ų | 50 | 141.6 Ų | 141.6 | 52% | 0.515 | 78% | 0.783 | S | S | . | * | | | cis | 71.5 | 59 | 45.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 57 | S | 35.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -99.6 | 79.2 | 170.7 | -72.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 58 | D | 36.9 | Very low | 38.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -112.3 | 114.1 | 158.3 | -73.6 | -65.2 | 0 | 0 | 0 | 107.4 | | |
| 59 | K | 37.2 | Very low | 38.1 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | | | trans | -132.5 | 86.2 | 156.7 | -83.8 | -167.2 | 176.6 | 177.9 | 0 | 108.5 | | |
| 60 | N | 32.3 | Very low | 38.3 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | 127.9 | 153.2 | 177.8 | -79.5 | 0 | 0 | 0 | 107.8 | D62 | N60-D62 WeakPolarHBondContact OD1-CA 3.4Å; N60-D62 WeakPolarHBondContact OD1-CB 3.35Å; N60-D62 PolarHBondContact OD1-N 3.32Å; N60-D62 VanDerWaalsContact OD1-N 3.17Å |
| 61 | L | 44.3 | Very low | 38.6 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 94% | 0.942 | 77% | 0.774 | S | S | * | * | | | trans | -96 | 110.2 | 157.8 | -88.8 | 164.3 | 0 | 0 | 0 | 106 | | |
| 62 | D | 35.2 | Very low | 38.4 | Very low | 131 Ų | 131 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | -87.6 | 110 | -177.7 | -162.3 | -92 | 0 | 0 | 0 | 108.9 | N60 | N60-D62 WeakPolarHBondContact OD1-CA 3.4Å; N60-D62 WeakPolarHBondContact OD1-CB 3.35Å; N60-D62 PolarHBondContact OD1-N 3.32Å; N60-D62 VanDerWaalsContact OD1-N 3.17Å |
| 63 | V | 47.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -148.2 | 91 | 152.3 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 64 | D | 38.1 | Very low | 38.9 | Very low | 141 Ų | 141 | 143.5 Ų | 143.5 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | | -173.7 | 135.6 | 122.1 | -163.6 | -133.8 | 0 | 0 | 0 | 109.5 | | |
| 65 | Q | 49.9 | Very low | 38.5 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | trans | -75.3 | 159.1 | -166.7 | -67.4 | 178.4 | 90 | 0 | 0 | 112.8 | | |
| 66 | N | 38.3 | Very low | 38.7 | Very low | 166 Ų | 166 | 140 Ų | 140 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | 83.1 | 101.8 | 151.7 | -173.8 | 76.5 | 0 | 0 | 0 | 117.3 | | |
| 67 | G | 38.2 | Very low | 38.6 | Very low | 62 Ų | 62 | 142.2 Ų | 142.2 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | | | trans | 142.5 | 98.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 68 | H | 33.3 | Very low | 38.5 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | | | trans | 80 | 110.6 | 155.2 | -78.5 | -73.7 | 0 | 0 | 0 | 120.9 | | |
| 69 | S | 35.5 | Very low | 38.2 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -51.8 | 143.3 | 169.4 | 51.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 70 | L | 39.8 | Very low | 38.3 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -55.8 | -167.7 | 151.6 | -45.8 | 168.5 | 0 | 0 | 0 | 110.8 | | |
| 71 | P | 44.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | | | cis | -135.9 | -173.5 | -21.6 | 21.9 | 3.6 | 0 | 0 | 0 | 112.2 | | |
| 72 | F | 30.3 | Very low | 37.9 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | 78.7 | 124.4 | 142.8 | -114.1 | -108.2 | 0 | 0 | 0 | 120.8 | | |
| 73 | R | 43.4 | Very low | 38.4 | Very low | 226 Ų | 226 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | 58.4 | 104.8 | 136.6 | -169.2 | 178.4 | -170.1 | 179.5 | 2.7 | 117.2 | | |
| 74 | S | 38.2 | Very low | 38 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | -135.2 | 132.5 | 156.3 | -165.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 75 | G | 36.7 | Very low | 38.3 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | -106.8 | -178.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 76 | S | 39.7 | Very low | 37.6 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 107.4 | 107.8 | 150.8 | -151 | 0 | 0 | 0 | 0 | 118.8 | | |
| 77 | A | 34.5 | Very low | 38.2 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | 62.8 | 103.6 | 134.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 78 | G | 33.8 | Very low | 38.6 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | | 96.1 | 105.4 | 110.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 79 | H | 30.5 | Very low | 39.3 | Very low | 183 Ų | 183 | 130.7 Ų | 130.7 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | trans | -164.3 | 110.1 | 133.9 | -136.3 | -142.9 | 0 | 0 | 0 | 113.3 | | |
| 80 | L | 39.1 | Very low | 39.6 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | 10 | 123.1 | 152.1 | -52.7 | 172.2 | 0 | 0 | 0 | 120.3 | | |
| 81 | A | 30.9 | Very low | 39.7 | Very low | 101 Ų | 101 | 129 Ų | 129 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | | 156.3 | 130.4 | 104.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 82 | A | 37.5 | Very low | 39.8 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | 77.8 | 86.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 83 | A | 45.4 | Very low | 40.3 | Very low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -85.3 | 148.6 | 135.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 84 | P | 40.3 | Very low | 40.4 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | | -145.7 | 132.5 | 94.4 | 35.3 | -17.6 | 0 | 0 | 0 | 115 | | |
| 85 | L | 45.2 | Very low | 40.4 | Very low | 160 Ų | 160 | 124.4 Ų | 124.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | 13.4 | 116.6 | 130.6 | -37.7 | 178.5 | 0 | 0 | 0 | 117.9 | | |
| 86 | S | 35.2 | Very low | 40.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -179 | 136.2 | 128 | -101.6 | 0 | 0 | 0 | 0 | 116 | | |
| 87 | P | 50 | Low | 40.2 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | | | trans | -86.9 | 157.3 | 165.3 | 36.2 | -30.2 | 0 | 0 | 0 | 112 | | |
| 88 | S | 47.5 | Very low | 40.7 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 85.3 | 108.2 | 162.8 | -46.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 89 | R | 48.2 | Very low | 40.9 | Very low | 231 Ų | 231 | 129.2 Ų | 129.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -158.7 | 95.6 | 139 | -87.4 | -59.1 | 179.9 | 152.5 | -2.9 | 107.4 | | |
| 90 | V | 40.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | | 44.2 | 82.2 | 95.3 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | L92 | V90-L92 HydrophobicContact CG1-CB 4.04Š|
| 91 | S | 42 | Very low | 41.4 | Very low | 118 Ų | 118 | 124 Ų | 124 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | -100.3 | 90 | 151.3 | -82.3 | 0 | 0 | 0 | 0 | 108.2 | S93 | S91-S93 VanDerWaalsContact C-N 3.26Å; S91-S93 PolarHBondContact O-N 3.41Å; S91-S93 VanDerWaalsContact O-N 3.15Å |
| 92 | L | 47.3 | Very low | 41.9 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 71.9 | 169.8 | -168.4 | 92 | 0 | 0 | 0 | 108.5 | V90 R94 | V90-L92 HydrophobicContact CG1-CB 4.04Å; L92-R94 PolarHBondContact O-N 3.49Å |
| 93 | S | 40.8 | Very low | 41.9 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | -82.9 | 78 | 163.2 | 51 | 0 | 0 | 0 | 0 | 108.5 | S91 S95 | S91-S93 VanDerWaalsContact C-N 3.26Å; S91-S93 PolarHBondContact O-N 3.41Å; S91-S93 VanDerWaalsContact O-N 3.15Å; S93-S95 PolarHBondContact O-N 3.43Å |
| 94 | R | 44.6 | Very low | 41.6 | Very low | 185 Ų | 185 | 125.9 Ų | 125.9 | 70% | 0.698 | 77% | 0.768 | S | S | * | * | | | trans | -57.7 | 95.4 | 165.9 | -178.8 | -175 | -72.7 | -146.6 | -4.2 | 109.5 | L92 C96 | L92-R94 PolarHBondContact O-N 3.49Å; R94-C96 WeakPolarHBondContact CG-SG 3.47Å |
| 95 | S | 37.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | | | trans | -111.8 | 83.6 | 145.9 | -75.2 | 0 | 0 | 0 | 0 | 107.1 | S93 T97 | S93-S95 PolarHBondContact O-N 3.43Å; S95-T97 PolarHBondContact O-N 3.15Å |
| 96 | C | 39 | Very low | 41.3 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 68% | 0.676 | 75% | 0.748 | S | S | * | * | | | trans | -63.7 | 113.8 | 166.3 | -63.1 | 0 | 0 | 0 | 0 | 108.3 | R94 | R94-C96 WeakPolarHBondContact CG-SG 3.47Š|
| 97 | T | 35 | Very low | 41.5 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -126.2 | 87.9 | 141.6 | 59.9 | 0 | 0 | 0 | 0 | 106.8 | S95 | S95-T97 PolarHBondContact O-N 3.15Š|
| 98 | S | 43.9 | Very low | 41.4 | Very low | 115 Ų | 115 | 125 Ų | 125 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | 11.8 | 112.7 | 148.6 | 54.8 | 0 | 0 | 0 | 0 | 117 | | |
| 99 | S | 37.3 | Very low | 41.1 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | | -165.9 | 133.2 | 120.7 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 100 | I | 46.6 | Very low | 41.4 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 89% | 0.892 | 74% | 0.742 | S | S | * | * | | | trans | -67.3 | 125 | -178.4 | -70.1 | 162.4 | 0 | 0 | 0 | 109.3 | | |
| 101 | G | 35.1 | Very low | 41.8 | Very low | 55 Ų | 55 | 123.8 Ų | 123.8 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | | | trans | 132.6 | 109 | 146 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 102 | N | 40 | Very low | 42.1 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 71% | 0.705 | S | S | * | * | | | trans | 97.1 | 72 | 131.9 | -47.1 | 9.9 | 0 | 0 | 0 | 119.4 | A104 | N102-A104 PolarHBondContact O-N 3.03Š|
| 103 | A | 38.2 | Very low | 42.2 | Very low | 117 Ų | 117 | 122 Ų | 122 | 97% | 0.967 | 70% | 0.704 | S | S | * | * | S | Bend | | 35.9 | 34 | 123.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 104 | A | 40.3 | Very low | 42.6 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 51% | 0.512 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -150.8 | 5.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N102 K112 | N102-A104 PolarHBondContact O-N 3.03Å; A104-K112 HydrophobicContact CB-CD 4.43Å; A104-K112 VanDerWaalsContact CB-CE 3.49Å; A104-K112 WeakPolarHBondContact O-CE 3.24Å; A104-K112 PolarHBondContact O-NZ 3.11Å |
| 105 | V | 42.8 | Very low | 43.3 | Very low | 52 Ų | 52 | 120.9 Ų | 120.9 | 32% | 0.315 | 69% | 0.691 | S | S | . | * | | | trans | -138.1 | 91.6 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | A108 K112 | V105-A108 WeakPolarHBondContact CG1-O 3.2Å; V105-K112 HydrophobicContact CG2-CB 4.4Å; V105-K112 HydrophobicContact CG2-CD 3.29Å; V105-K112 HydrophobicContact CG2-CG 3.54Å |
| 106 | Q | 36.2 | Very low | 43.9 | Very low | 184 Ų | 184 | 120.1 Ų | 120.1 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -162.2 | 29.6 | 143.9 | -109.6 | 167.4 | 98.1 | 0 | 0 | 114.1 | | |
| 107 | E | 39.3 | Very low | 44.6 | Very low | 197 Ų | 197 | 120.7 Ų | 120.7 | 92% | 0.921 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -132.8 | 35.6 | 155.5 | -77.2 | -65.4 | 140.6 | 0 | 0 | 109.6 | | |
| 108 | A | 46.3 | Very low | 45.4 | Very low | 53 Ų | 53 | 119.1 Ų | 119.1 | 44% | 0.438 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -155.6 | 105.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | V105 K110 | V105-A108 WeakPolarHBondContact CG1-O 3.2Å; A108-K110 PolarHBondContact O-N 3.31Å |
| 109 | Q | 41.6 | Very low | 46.2 | Very low | 196 Ų | 196 | 117.7 Ų | 117.7 | 92% | 0.916 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -44 | 103.7 | 178 | -174.5 | 164.2 | -100.9 | 0 | 0 | 112.2 | P111 | Q109-P111 WeakPolarHBondContact O-CD 3.42Š|
| 110 | K | 54.8 | Low | 46.9 | Very low | 176 Ų | 176 | 118 Ų | 118 | 77% | 0.765 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 24.4 | 85 | 176.8 | -165.6 | 162.7 | -175.7 | 165.4 | 0 | 117.5 | A108 | A108-K110 PolarHBondContact O-N 3.31Š|
| 111 | P | 50 | Low | 47.4 | Very low | 55 Ų | 55 | 113.9 Ų | 113.9 | 36% | 0.357 | 62% | 0.623 | S | S | . | * | | | trans | -151.4 | 98.5 | 153.7 | 30.7 | -6.8 | 0 | 0 | 0 | 112.4 | Q109 | Q109-P111 WeakPolarHBondContact O-CD 3.42Š|
| 112 | K | 47 | Very low | 48.4 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 39% | 0.387 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -129.1 | -27.5 | 165.5 | -77.7 | -162.1 | 164.9 | 50.9 | 0 | 113.4 | A104 V105 Y114 | A104-K112 HydrophobicContact CB-CD 4.43Å; A104-K112 VanDerWaalsContact CB-CE 3.49Å; A104-K112 WeakPolarHBondContact O-CE 3.24Å; A104-K112 PolarHBondContact O-NZ 3.11Å; V105-K112 HydrophobicContact CG2-CB 4.4Å; V105-K112 HydrophobicContact CG2-CD 3.29Å; V105-K112 HydrophobicContact CG2-CG 3.54Å; K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 3.44Å |
| 113 | D | 49.8 | Very low | 49.3 | Very low | 115 Ų | 115 | 108.2 Ų | 108.2 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -77.5 | -16 | 177.1 | -47.8 | -60.6 | 0 | 0 | 0 | 112.5 | L117 | D113-L117 WeakPolarHBondContact O-CG 3.16Å |
| 114 | Y | 50.1 | Low | 49.8 | Very low | 165 Ų | 165 | 107.7 Ų | 107.7 | 65% | 0.647 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -83.9 | -33.4 | 178.1 | -72 | -87.8 | 0 | 0 | 0 | 115.2 | K112 I116 L117 V118 | K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 3.44Å; Y114-I116 VanDerWaalsContact C-N 3.32Å; Y114-L117 PolarHBondContact O-N 3.12Å; Y114-V118 VanDerWaalsContact O-CG2 3.28Å; Y114-V118 WeakPolarHBondContact O-CG2 3.22Å; Y114-V118 PolarHBondContact O-N 3.17Å; Y114-V118 VanDerWaalsContact O-N 3.14Å |
| 115 | L | 57.8 | Low | 50.3 | Low | 111 Ų | 111 | 109.1 Ų | 109.1 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.3 | -34 | 177.6 | -74.3 | 174.1 | 0 | 0 | 0 | 111.4 | V118 I119 | L115-V118 PolarHBondContact O-N 3.48Å; L115-I119 WeakPolarHBondContact O-CD1 3.36Å; L115-I119 WeakPolarHBondContact O-CG1 2.89Å; L115-I119 PolarHBondContact O-N 2.9Å |
| 116 | I | 49.8 | Very low | 50.7 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 53% | 0.533 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.7 | -34 | 176.8 | -87.1 | 152 | 0 | 0 | 0 | 112 | Y114 L120 | Y114-I116 VanDerWaalsContact C-N 3.32Å; I116-L120 HydrophobicContact CG2-CD1 4.3Å; I116-L120 WeakPolarHBondContact O-CB 3.36Å; I116-L120 VanDerWaalsContact O-CD1 3.3Å; I116-L120 WeakPolarHBondContact O-CD1 3.4Å; I116-L120 PolarHBondContact O-N 3.33Å |
| 117 | L | 55.4 | Low | 51.4 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 59% | 0.592 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.5 | -34 | 172.6 | -69.5 | 172.8 | 0 | 0 | 0 | 113.2 | D113 Y114 L120 S121 | D113-L117 WeakPolarHBondContact O-CG 3.16Å; Y114-L117 PolarHBondContact O-N 3.12Å; L117-L120 PolarHBondContact O-N 3.21Å; L117-S121 PolarHBondContact O-N 3.18Å |
| 118 | V | 50.8 | Low | 52.2 | Low | 96 Ų | 96 | 109.7 Ų | 109.7 | 58% | 0.582 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -34.5 | 176 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | Y114 L115 | Y114-V118 VanDerWaalsContact O-CG2 3.28Å; Y114-V118 WeakPolarHBondContact O-CG2 3.22Å; Y114-V118 PolarHBondContact O-N 3.17Å; Y114-V118 VanDerWaalsContact O-N 3.14Å; L115-V118 PolarHBondContact O-N 3.48Å |
| 119 | I | 60 | Low | 52.4 | Low | 85 Ų | 85 | 109 Ų | 109 | 44% | 0.436 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.1 | -34.2 | 173.4 | -61.9 | 160.4 | 0 | 0 | 0 | 110.9 | L115 S121 C122 | L115-I119 WeakPolarHBondContact O-CD1 3.36Å; L115-I119 WeakPolarHBondContact O-CG1 2.89Å; L115-I119 PolarHBondContact O-N 2.9Å; I119-S121 VanDerWaalsContact C-N 3.35Å; I119-C122 WeakPolarHBondContact O-CB 3.31Å; I119-C122 PolarHBondContact O-N 3.01Å; I119-C122 VanDerWaalsContact O-N 3.11Å |
| 120 | L | 52.1 | Low | 53.3 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.5 | -31.5 | 173.6 | -111.4 | 98.6 | 0 | 0 | 0 | 113 | I116 L117 C122 | I116-L120 HydrophobicContact CG2-CD1 4.3Å; I116-L120 WeakPolarHBondContact O-CB 3.36Å; I116-L120 VanDerWaalsContact O-CD1 3.3Å; I116-L120 WeakPolarHBondContact O-CD1 3.4Å; I116-L120 PolarHBondContact O-N 3.33Å; L117-L120 PolarHBondContact O-N 3.21Å; L120-C122 PolarHBondContact O-N 3.47Å |
| 121 | S | 57 | Low | 53.4 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 60% | 0.601 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19 | 169.6 | -178 | 0 | 0 | 0 | 0 | 113 | L117 I119 F123 | L117-S121 PolarHBondContact O-N 3.18Å; I119-S121 VanDerWaalsContact C-N 3.35Å; S121-F123 PolarHBondContact O-N 3.26Å |
| 122 | C | 56.3 | Low | 53.4 | Low | 31 Ų | 31 | 98 Ų | 98 | 21% | 0.209 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.3 | -176.4 | -72.4 | 0 | 0 | 0 | 0 | 113.8 | I119 L120 | I119-C122 WeakPolarHBondContact O-CB 3.31Å; I119-C122 PolarHBondContact O-N 3.01Å; I119-C122 VanDerWaalsContact O-N 3.11Å; L120-C122 PolarHBondContact O-N 3.47Å |
| 123 | F | 59.8 | Low | 53.5 | Low | 60 Ų | 60 | 94.5 Ų | 94.5 | 26% | 0.263 | 51% | 0.509 | S | S | . | . | | | trans | -136.9 | 47.8 | -159.5 | -62.7 | -56.2 | 0 | 0 | 0 | 120.1 | S121 V129 S130 A133 | S121-F123 PolarHBondContact O-N 3.26Å; F123-V129 HydrophobicContact CD1-CB 4.37Å; F123-V129 HydrophobicContact CE1-CB 4.06Å; F123-V129 HydrophobicContact CE1-CG1 4.03Å; F123-V129 WeakPolarHBondContact CE1-O 3.5Å; F123-S130 VanDerWaalsContact CE2-CB 3.45Å; F123-A133 HydrophobicContact CE2-CB 3.71Å; F123-A133 HydrophobicContact CZ-CB 3.51Å |
| 124 | C | 48.6 | Very low | 53.9 | Low | 105 Ų | 105 | 94.2 Ų | 94.2 | 71% | 0.709 | 51% | 0.508 | S | S | * | . | | | trans | -134.1 | 133.1 | 168.4 | -149 | 0 | 0 | 0 | 0 | 110.7 | | |
| 125 | P | 51.4 | Low | 54.3 | Low | 92 Ų | 92 | 91.8 Ų | 91.8 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | S | Bend | cis | -135.1 | 76.7 | -2.8 | 36.7 | -15 | 0 | 0 | 0 | 113.4 | | |
| 126 | V | 50.4 | Low | 53.8 | Low | 125 Ų | 125 | 87.2 Ų | 87.2 | 76% | 0.758 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -150.6 | 125.9 | 147.4 | -169.1 | 0 | 0 | 0 | 0 | 107.2 | P128 | V126-P128 WeakPolarHBondContact O-CD 3.34Š|
| 127 | W | 51.4 | Low | 53.9 | Low | 240 Ų | 240 | 85 Ų | 85 | 91% | 0.909 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -12.1 | -155.9 | -155.2 | 35.9 | 0 | 0 | 0 | 122.4 | | |
| 128 | P | 54.8 | Low | 53.8 | Low | 80 Ų | 80 | 85.2 Ų | 85.2 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -26 | -175 | -10.1 | 26.2 | 0 | 0 | 0 | 116.4 | V126 S130 I131 | V126-P128 WeakPolarHBondContact O-CD 3.34Å; P128-S130 PolarHBondContact O-N 3.15Å; P128-I131 WeakPolarHBondContact O-CB 3.47Å; P128-I131 VanDerWaalsContact O-CG1 3.32Å; P128-I131 WeakPolarHBondContact O-CG1 3.46Å; P128-I131 PolarHBondContact O-N 3.03Å; P128-I131 VanDerWaalsContact O-N 3.15Å |
| 129 | V | 51.6 | Low | 53.7 | Low | 38 Ų | 38 | 83.6 Ų | 83.6 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19 | -164.5 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | F123 I131 V132 | F123-V129 HydrophobicContact CD1-CB 4.37Å; F123-V129 HydrophobicContact CE1-CB 4.06Å; F123-V129 HydrophobicContact CE1-CG1 4.03Å; F123-V129 WeakPolarHBondContact CE1-O 3.5Å; V129-I131 PolarHBondContact O-N 3.04Å; V129-V132 PolarHBondContact O-N 3.06Å |
| 130 | S | 60.3 | Low | 52.6 | Low | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.224 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.6 | -19.9 | 174.1 | 75.6 | 0 | 0 | 0 | 0 | 115.4 | F123 P128 V132 L134 | F123-S130 VanDerWaalsContact CE2-CB 3.45Å; P128-S130 PolarHBondContact O-N 3.15Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 2.97Å; S130-L134 VanDerWaalsContact O-CD1 3.22Å; S130-L134 WeakPolarHBondContact O-CD1 3.33Å; S130-L134 PolarHBondContact O-N 3.35Å |
| 131 | I | 56 | Low | 52.5 | Low | 102 Ų | 102 | 86.1 Ų | 86.1 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.1 | -22.5 | -177.3 | -54.8 | 172.2 | 0 | 0 | 0 | 110.3 | P128 V129 L135 | P128-I131 WeakPolarHBondContact O-CB 3.47Å; P128-I131 VanDerWaalsContact O-CG1 3.32Å; P128-I131 WeakPolarHBondContact O-CG1 3.46Å; P128-I131 PolarHBondContact O-N 3.03Å; P128-I131 VanDerWaalsContact O-N 3.15Å; V129-I131 PolarHBondContact O-N 3.04Å; I131-L135 WeakPolarHBondContact O-CG 3.23Å; I131-L135 PolarHBondContact O-N 3.34Å |
| 132 | V | 50.9 | Low | 51.9 | Low | 62 Ų | 62 | 86.3 Ų | 86.3 | 38% | 0.376 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -82.9 | -35.5 | 176.9 | -167.7 | 0 | 0 | 0 | 0 | 113.2 | V129 S130 L134 L135 F136 | V129-V132 PolarHBondContact O-N 3.06Å; S130-V132 VanDerWaalsContact C-N 3.32Å; S130-V132 PolarHBondContact O-N 2.97Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 3.34Å; V132-F136 PolarHBondContact O-N 3.01Å |
| 133 | A | 49.6 | Very low | 51.1 | Low | 16 Ų | 16 | 88 Ų | 88 | 13% | 0.132 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -69.2 | -27.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F123 S166 | F123-A133 HydrophobicContact CE2-CB 3.71Å; F123-A133 HydrophobicContact CZ-CB 3.51Å; A133-S166 WeakPolarHBondContact CA-OG 3.39Å; A133-S166 VanDerWaalsContact CB-OG 3.25Å; A133-S166 WeakPolarHBondContact CB-OG 3.21Å; A133-S166 PolarHBondContact N-OG 3.02Å |
| 134 | L | 57.6 | Low | 50.4 | Low | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.2 | -35.8 | 171.9 | -95.2 | 119.3 | 0 | 0 | 0 | 112.9 | S130 V132 F136 I138 | S130-L134 VanDerWaalsContact O-CD1 3.22Å; S130-L134 WeakPolarHBondContact O-CD1 3.33Å; S130-L134 PolarHBondContact O-N 3.35Å; V132-L134 VanDerWaalsContact C-N 3.3Å; V132-L134 PolarHBondContact O-N 3.28Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 3.08Å; L134-I138 VanDerWaalsContact O-CD1 3.26Å; L134-I138 WeakPolarHBondContact O-CD1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.23Å |
| 135 | L | 58.4 | Low | 50.4 | Low | 114 Ų | 114 | 96.2 Ų | 96.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.2 | -24.3 | -179.6 | -76.3 | 169 | 0 | 0 | 0 | 114.4 | I131 V132 I138 | I131-L135 WeakPolarHBondContact O-CG 3.23Å; I131-L135 PolarHBondContact O-N 3.34Å; V132-L135 PolarHBondContact O-N 3.34Å; L135-I138 HydrophobicContact CD2-CD1 4.44Å; L135-I138 WeakPolarHBondContact O-CB 3.45Å |
| 136 | F | 46.9 | Very low | 50.1 | Low | 15 Ų | 15 | 94.8 Ų | 94.8 | 7% | 0.066 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -89 | -33.6 | 179.1 | 172.3 | -102.2 | 0 | 0 | 0 | 113.9 | V132 L134 I138 M139 S140 A159 L162 S163 | V132-F136 PolarHBondContact O-N 3.01Å; L134-F136 VanDerWaalsContact C-N 3.31Å; L134-F136 PolarHBondContact O-N 3.08Å; F136-I138 PolarHBondContact O-N 3.22Å; F136-I138 VanDerWaalsContact O-N 3.17Å; F136-M139 HydrophobicContact CD2-CB 4.18Å; F136-M139 PolarHBondContact O-N 3.38Å; F136-S140 PolarHBondContact O-N 3.25Å; F136-A159 VanDerWaalsContact CE2-CA 3.48Å; F136-A159 VanDerWaalsContact CE2-O 3.31Å; F136-A159 WeakPolarHBondContact CE2-O 3.25Å; F136-A159 WeakPolarHBondContact CZ-O 3.07Å; F136-L162 HydrophobicContact CB-CB 4.04Å; F136-L162 HydrophobicContact CD2-CB 2.84Å; F136-L162 HydrophobicContact CD2-CD1 4.27Å; F136-L162 HydrophobicContact CD2-CG 4.08Å; F136-L162 VanDerWaalsContact CE2-CA 3.49Å; F136-L162 HydrophobicContact CE2-CB 3.21Å; F136-L162 HydrophobicContact CG-CB 3.59Å; F136-L162 WeakPolarHBondContact CG-O 3.21Å; F136-L162 HydrophobicContact CZ-CB 4.34Å; F136-S163 VanDerWaalsContact CD1-N 3.34Å; F136-S163 WeakPolarHBondContact CE1-OG 3.32Å |
| 137 | S | 53 | Low | 50.4 | Low | 57 Ų | 57 | 93 Ų | 93 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -26.4 | 169.3 | -155.9 | 0 | 0 | 0 | 0 | 111.6 | S140 | S137-S140 WeakPolarHBondContact O-CB 3.4Å; S137-S140 PolarHBondContact O-N 2.59Å |
| 138 | I | 53.2 | Low | 50.7 | Low | 117 Ų | 117 | 87.7 Ų | 87.7 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.5 | -32.3 | 171.4 | -70.7 | 162.2 | 0 | 0 | 0 | 113.1 | L134 L135 F136 S140 | L134-I138 VanDerWaalsContact O-CD1 3.26Å; L134-I138 WeakPolarHBondContact O-CD1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.23Å; L135-I138 HydrophobicContact CD2-CD1 4.44Å; L135-I138 WeakPolarHBondContact O-CB 3.45Å; F136-I138 PolarHBondContact O-N 3.22Å; F136-I138 VanDerWaalsContact O-N 3.17Å; I138-S140 VanDerWaalsContact C-N 3.33Å |
| 139 | M | 48.4 | Very low | 50.7 | Low | 62 Ų | 62 | 90 Ų | 90 | 31% | 0.305 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.2 | -24.8 | 172.1 | -149.7 | -174.8 | -112.5 | 0 | 0 | 112.3 | F136 L158 A159 L162 | F136-M139 HydrophobicContact CD2-CB 4.18Å; F136-M139 PolarHBondContact O-N 3.38Å; M139-L158 HydrophobicContact CE-CB 3.97Å; M139-L158 HydrophobicContact SD-CB 3.58Å; M139-L158 VanDerWaalsContact SD-CB 3.58Å; M139-A159 HydrophobicContact CB-CB 4.13Å; M139-A159 HydrophobicContact CG-CB 3.88Å; M139-A159 WeakPolarHBondContact O-CB 3.41Å; M139-A159 HydrophobicContact SD-CB 4.11Å; M139-A159 PolarHBondContact SD-N 3.46Å; M139-L162 HydrophobicContact CE-CD1 3.39Å; M139-L162 HydrophobicContact SD-CD1 3.33Å; M139-L162 WeakPolarHBondContact SD-CD1 3.38Å |
| 140 | S | 36.1 | Very low | 51.1 | Low | 69 Ų | 69 | 95.5 Ų | 95.5 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.9 | -178.4 | -175.4 | 0 | 0 | 0 | 0 | 115 | F136 S137 I138 | F136-S140 PolarHBondContact O-N 3.25Å; S137-S140 WeakPolarHBondContact O-CB 3.4Å; S137-S140 PolarHBondContact O-N 2.59Å; I138-S140 VanDerWaalsContact C-N 3.33Å |
| 141 | R | 50.2 | Low | 50.8 | Low | 196 Ų | 196 | 96.4 Ų | 96.4 | 74% | 0.74 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -101.3 | -10.8 | 179.1 | -69.3 | -172.1 | 178.1 | -140.5 | 1.5 | 114.6 | S143 | R141-S143 PolarHBondContact O-N 2.87Š|
| 142 | N | 44.2 | Very low | 50.7 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -66.5 | -14.9 | 177.7 | -170.6 | 49.8 | 0 | 0 | 0 | 114 | L155 | N142-L155 WeakPolarHBondContact ND2-CD2 3.32Š|
| 143 | S | 39.8 | Very low | 50.9 | Low | 67 Ų | 67 | 98.1 Ų | 98.1 | 47% | 0.469 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -92.1 | 0.7 | -177.2 | -167.9 | 0 | 0 | 0 | 0 | 115 | R141 | R141-S143 PolarHBondContact O-N 2.87Š|
| 144 | L | 46.2 | Very low | 51 | Low | 158 Ų | 158 | 107.4 Ų | 107.4 | 83% | 0.827 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -93.7 | -4.7 | 179.1 | -68.2 | 178.1 | 0 | 0 | 0 | 114.1 | | |
| 145 | Q | 47.5 | Very low | 50.8 | Low | 178 Ų | 178 | 106.4 Ų | 106.4 | 83% | 0.832 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -118.6 | -0.2 | -173.2 | -84.5 | -174.7 | 57.7 | 0 | 0 | 116 | | |
| 146 | S | 45 | Very low | 50.7 | Low | 62 Ų | 62 | 102.3 Ų | 102.3 | 43% | 0.434 | 56% | 0.558 | S | S | . | * | | | trans | -116.7 | 87.8 | 175.5 | -51.2 | 0 | 0 | 0 | 0 | 107 | D148 | S146-D148 PolarHBondContact O-N 3.22Š|
| 147 | G | 56.4 | Low | 51.3 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 91% | 0.907 | 59% | 0.588 | S | S | * | * | | | cis | 81.5 | -39.2 | 45.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 148 | D | 58.4 | Low | 51.4 | Low | 128 Ų | 128 | 110.8 Ų | 110.8 | 68% | 0.684 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -152.4 | 128.2 | 166.4 | -143.7 | -19.6 | 0 | 0 | 0 | 108.3 | S146 D150 | S146-D148 PolarHBondContact O-N 3.22Å; D148-D150 PolarHBondContact O-N 3.16Å |
| 149 | M | 53.9 | Low | 51.8 | Low | 128 Ų | 128 | 106.1 Ų | 106.1 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -5.1 | -155.1 | -75.1 | -92.9 | 73.1 | 0 | 0 | 115.6 | A152 | M149-A152 HydrophobicContact CE-CB 3.69Š|
| 150 | D | 61.9 | Low | 52.4 | Low | 154 Ų | 154 | 112.6 Ų | 112.6 | 82% | 0.824 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -24.2 | -170.5 | -77.4 | -86 | 0 | 0 | 0 | 114.5 | D148 | D148-D150 PolarHBondContact O-N 3.16Š|
| 151 | G | 53.2 | Low | 53.5 | Low | 51 Ų | 51 | 114.5 Ų | 114.5 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -23.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K153 R154 | G151-K153 PolarHBondContact O-N 3.02Å; G151-R154 PolarHBondContact O-N 3.41Å |
| 152 | A | 53.8 | Low | 54.1 | Low | 20 Ų | 20 | 108.6 Ų | 108.6 | 17% | 0.165 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -72.2 | -30.3 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M149 R154 L155 G156 | M149-A152 HydrophobicContact CE-CB 3.69Å; A152-R154 VanDerWaalsContact C-N 3.28Å; A152-R154 PolarHBondContact O-N 3.47Å; A152-L155 PolarHBondContact O-N 3.23Å; A152-G156 PolarHBondContact O-N 3.05Å |
| 153 | K | 55.3 | Low | 55.2 | Low | 180 Ų | 180 | 106.3 Ų | 106.3 | 78% | 0.783 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -27.1 | -179.7 | -107.3 | -178.2 | -177.8 | 173.6 | 0 | 113.6 | G151 | G151-K153 PolarHBondContact O-N 3.02Å |
| 154 | R | 52.5 | Low | 56.1 | Low | 212 Ų | 212 | 106.9 Ų | 106.9 | 80% | 0.8 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.3 | -42 | 179.6 | -91.4 | 177.1 | 147.8 | -103.1 | 0 | 111.9 | G151 A152 | G151-R154 PolarHBondContact O-N 3.41Å; A152-R154 VanDerWaalsContact C-N 3.28Å; A152-R154 PolarHBondContact O-N 3.47Å |
| 155 | L | 53 | Low | 57.1 | Low | 88 Ų | 88 | 103.1 Ų | 103.1 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -78.1 | -29.9 | 178.5 | -91.7 | 70.4 | 0 | 0 | 0 | 112.7 | N142 A152 K157 L158 A159 | N142-L155 WeakPolarHBondContact ND2-CD2 3.32Å; A152-L155 PolarHBondContact O-N 3.23Å; L155-K157 PolarHBondContact O-N 3.26Å; L155-L158 PolarHBondContact O-N 3.06Å; L155-A159 WeakPolarHBondContact O-CB 3.43Å; L155-A159 PolarHBondContact O-N 3.17Å |
| 156 | G | 56.3 | Low | 57.9 | Low | 29 Ų | 29 | 95.2 Ų | 95.2 | 30% | 0.299 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -27.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A152 A159 R160 | A152-G156 PolarHBondContact O-N 3.05Å; G156-A159 CarbonylContact O-C 3.44Å; G156-R160 PolarHBondContact O-N 3.48Å |
| 157 | K | 59.6 | Low | 59 | Low | 162 Ų | 162 | 97 Ų | 97 | 70% | 0.704 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.5 | -40.4 | 175.3 | -76.6 | 179.6 | 173.9 | 167.6 | 0 | 112.2 | L155 A159 R160 L161 | L155-K157 PolarHBondContact O-N 3.26Å; K157-A159 VanDerWaalsContact C-N 3.31Å; K157-R160 PolarHBondContact O-N 2.94Å; K157-L161 WeakPolarHBondContact O-CB 3.43Å; K157-L161 PolarHBondContact O-N 3.43Å |
| 158 | L | 55.6 | Low | 59.7 | Low | 88 Ų | 88 | 100 Ų | 100 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 172.5 | -58.7 | -166.1 | 0 | 0 | 0 | 110.5 | M139 L155 R160 L161 L162 | M139-L158 HydrophobicContact CE-CB 3.97Å; M139-L158 HydrophobicContact SD-CB 3.58Å; M139-L158 VanDerWaalsContact SD-CB 3.58Å; L155-L158 PolarHBondContact O-N 3.06Å; L158-R160 PolarHBondContact O-N 3.39Å; L158-R160 VanDerWaalsContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 3.23Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L158-L162 WeakPolarHBondContact O-CD1 3.34Å; L158-L162 PolarHBondContact O-N 3.11Å; L158-L162 VanDerWaalsContact O-N 3.08Å |
| 159 | A | 61.4 | Low | 60.2 | Low | 18 Ų | 18 | 97.6 Ų | 97.6 | 15% | 0.149 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -71.3 | 6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F136 M139 L155 G156 K157 | F136-A159 VanDerWaalsContact CE2-CA 3.48Å; F136-A159 VanDerWaalsContact CE2-O 3.31Å; F136-A159 WeakPolarHBondContact CE2-O 3.25Å; F136-A159 WeakPolarHBondContact CZ-O 3.07Å; M139-A159 HydrophobicContact CB-CB 4.13Å; M139-A159 HydrophobicContact CG-CB 3.88Å; M139-A159 WeakPolarHBondContact O-CB 3.41Å; M139-A159 HydrophobicContact SD-CB 4.11Å; M139-A159 PolarHBondContact SD-N 3.46Å; L155-A159 WeakPolarHBondContact O-CB 3.43Å; L155-A159 PolarHBondContact O-N 3.17Å; G156-A159 CarbonylContact O-C 3.44Å; K157-A159 VanDerWaalsContact C-N 3.31Å |
| 160 | R | 61 | Low | 60.9 | Low | 198 Ų | 198 | 91.6 Ų | 91.6 | 75% | 0.747 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -110.1 | -40.2 | 162.7 | -95.7 | -175.5 | -170.1 | 163.1 | 4.1 | 110.6 | G156 K157 L158 L162 S163 V164 | G156-R160 PolarHBondContact O-N 3.48Å; K157-R160 PolarHBondContact O-N 2.94Å; L158-R160 PolarHBondContact O-N 3.39Å; L158-R160 VanDerWaalsContact O-N 3.12Å; R160-L162 VanDerWaalsContact C-N 3.35Å; R160-L162 PolarHBondContact O-N 3.49Å; R160-S163 WeakPolarHBondContact O-CB 3.36Å; R160-S163 PolarHBondContact O-N 3.44Å; R160-S163 VanDerWaalsContact O-N 3.11Å; R160-V164 PolarHBondContact O-N 3.14Å |
| 161 | L | 58.6 | Low | 61.4 | Low | 109 Ų | 109 | 88.3 Ų | 88.3 | 57% | 0.571 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.9 | -47.1 | -176.9 | -165.1 | 71.5 | 0 | 0 | 0 | 111.4 | K157 L158 S163 V164 V165 | K157-L161 WeakPolarHBondContact O-CB 3.43Å; K157-L161 PolarHBondContact O-N 3.43Å; L158-L161 PolarHBondContact O-N 3.23Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L161-S163 VanDerWaalsContact C-N 3.25Å; L161-S163 PolarHBondContact O-N 3.02Å; L161-V164 PolarHBondContact O-N 3.35Å; L161-V165 VanDerWaalsContact O-CG2 3.22Å; L161-V165 WeakPolarHBondContact O-CG2 3.45Å; L161-V165 PolarHBondContact O-N 2.78Å |
| 162 | L | 62.7 | Low | 62.3 | Low | 72 Ų | 72 | 91.1 Ų | 91.1 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.4 | -15.6 | -179.5 | -79.6 | 135.7 | 0 | 0 | 0 | 112.9 | F136 M139 L158 R160 S166 | F136-L162 HydrophobicContact CB-CB 4.04Å; F136-L162 HydrophobicContact CD2-CB 2.84Å; F136-L162 HydrophobicContact CD2-CD1 4.27Å; F136-L162 HydrophobicContact CD2-CG 4.08Å; F136-L162 VanDerWaalsContact CE2-CA 3.49Å; F136-L162 HydrophobicContact CE2-CB 3.21Å; F136-L162 HydrophobicContact CG-CB 3.59Å; F136-L162 WeakPolarHBondContact CG-O 3.21Å; F136-L162 HydrophobicContact CZ-CB 4.34Å; M139-L162 HydrophobicContact CE-CD1 3.39Å; M139-L162 HydrophobicContact SD-CD1 3.33Å; M139-L162 WeakPolarHBondContact SD-CD1 3.38Å; L158-L162 WeakPolarHBondContact O-CD1 3.34Å; L158-L162 PolarHBondContact O-N 3.11Å; L158-L162 VanDerWaalsContact O-N 3.08Å; R160-L162 VanDerWaalsContact C-N 3.35Å; R160-L162 PolarHBondContact O-N 3.49Å; L162-S166 WeakPolarHBondContact O-CB 3.3Å; L162-S166 PolarHBondContact O-N 3.37Å |
| 163 | S | 66.4 | Low | 63.3 | Low | 43 Ų | 43 | 94.3 Ų | 94.3 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72 | -48.4 | 174.3 | -153.7 | 0 | 0 | 0 | 0 | 109.4 | F136 R160 L161 V165 S166 I167 | F136-S163 VanDerWaalsContact CD1-N 3.34Å; F136-S163 WeakPolarHBondContact CE1-OG 3.32Å; R160-S163 WeakPolarHBondContact O-CB 3.36Å; R160-S163 PolarHBondContact O-N 3.44Å; R160-S163 VanDerWaalsContact O-N 3.11Å; L161-S163 VanDerWaalsContact C-N 3.25Å; L161-S163 PolarHBondContact O-N 3.02Å; S163-V165 VanDerWaalsContact C-N 3.31Å; S163-S166 PolarHBondContact O-N 3.01Å; S163-I167 WeakPolarHBondContact O-CG1 3.28Å; S163-I167 PolarHBondContact O-N 3.44Å |
| 164 | V | 59.3 | Low | 64.3 | Low | 78 Ų | 78 | 88.6 Ų | 88.6 | 47% | 0.473 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -48.7 | -179.2 | 171.9 | 0 | 0 | 0 | 0 | 107.2 | R160 L161 S166 I167 F168 | R160-V164 PolarHBondContact O-N 3.14Å; L161-V164 PolarHBondContact O-N 3.35Å; V164-S166 VanDerWaalsContact C-N 3.34Å; V164-S166 PolarHBondContact O-N 2.96Å; V164-I167 PolarHBondContact O-N 3.5Å; V164-F168 HydrophobicContact CG1-CD2 3.64Å; V164-F168 HydrophobicContact CG1-CE2 3.63Å; V164-F168 VanDerWaalsContact O-CD2 3.24Å; V164-F168 WeakPolarHBondContact O-CD2 3.14Å; V164-F168 PolarHBondContact O-N 3.37Å |
| 165 | V | 66.6 | Low | 65.4 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 112.2 | L161 S163 L169 | L161-V165 VanDerWaalsContact O-CG2 3.22Å; L161-V165 WeakPolarHBondContact O-CG2 3.45Å; L161-V165 PolarHBondContact O-N 2.78Å; S163-V165 VanDerWaalsContact C-N 3.31Å; V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 PolarHBondContact O-N 3Å |
| 166 | S | 64.3 | Low | 66.6 | Low | 12 Ų | 12 | 82.1 Ų | 82.1 | 8% | 0.084 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.1 | -32.7 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 113.8 | A133 L162 S163 V164 G170 | A133-S166 WeakPolarHBondContact CA-OG 3.39Å; A133-S166 VanDerWaalsContact CB-OG 3.25Å; A133-S166 WeakPolarHBondContact CB-OG 3.21Å; A133-S166 PolarHBondContact N-OG 3.02Å; L162-S166 WeakPolarHBondContact O-CB 3.3Å; L162-S166 PolarHBondContact O-N 3.37Å; S163-S166 PolarHBondContact O-N 3.01Å; V164-S166 VanDerWaalsContact C-N 3.34Å; V164-S166 PolarHBondContact O-N 2.96Å; S166-G170 PolarHBondContact O-N 3.25Å |
| 167 | I | 69.5 | Low | 67.5 | Low | 99 Ų | 99 | 83 Ų | 83 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.7 | -43.6 | 176.9 | -68.4 | 171.6 | 0 | 0 | 0 | 109.9 | S163 V164 L169 G170 V171 | S163-I167 WeakPolarHBondContact O-CG1 3.28Å; S163-I167 PolarHBondContact O-N 3.44Å; V164-I167 PolarHBondContact O-N 3.5Å; I167-L169 PolarHBondContact O-N 3.17Å; I167-G170 PolarHBondContact O-N 3.13Å; I167-V171 WeakPolarHBondContact O-CG2 3.34Å; I167-V171 PolarHBondContact O-N 3.46Å; I167-V171 VanDerWaalsContact O-N 3.16Å |
| 168 | F | 70.8 | Confident | 68.4 | Low | 153 Ų | 153 | 79.3 Ų | 79.3 | 67% | 0.671 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 178 | -87.2 | -74.7 | 0 | 0 | 0 | 112.7 | V164 L172 | V164-F168 HydrophobicContact CG1-CD2 3.64Å; V164-F168 HydrophobicContact CG1-CE2 3.63Å; V164-F168 VanDerWaalsContact O-CD2 3.24Å; V164-F168 WeakPolarHBondContact O-CD2 3.14Å; V164-F168 PolarHBondContact O-N 3.37Å; F168-L172 WeakPolarHBondContact O-CB 3.37Å; F168-L172 PolarHBondContact O-N 3.41Å |
| 169 | L | 68.3 | Low | 69.4 | Low | 76 Ų | 76 | 79 Ų | 79 | 40% | 0.398 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 179.6 | -168.6 | 62.8 | 0 | 0 | 0 | 112.4 | V165 I167 I173 | V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 PolarHBondContact O-N 3Å; I167-L169 PolarHBondContact O-N 3.17Å; L169-I173 VanDerWaalsContact O-CG1 3.28Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.41Å |
| 170 | G | 69.6 | Low | 70.4 | Confident | 3 Ų | 3 | 82 Ų | 82 | 3% | 0.031 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S166 I167 I174 | S166-G170 PolarHBondContact O-N 3.25Å; I167-G170 PolarHBondContact O-N 3.13Å; G170-I174 WeakPolarHBondContact O-CG1 3.28Å; G170-I174 PolarHBondContact O-N 3.27Å |
| 171 | V | 71.5 | Confident | 71.4 | Confident | 84 Ų | 84 | 76.4 Ų | 76.4 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | -180 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | I167 I173 I174 V175 | I167-V171 WeakPolarHBondContact O-CG2 3.34Å; I167-V171 PolarHBondContact O-N 3.46Å; I167-V171 VanDerWaalsContact O-N 3.16Å; V171-I173 VanDerWaalsContact C-N 3.34Å; V171-I173 PolarHBondContact O-N 3.03Å; V171-I174 PolarHBondContact O-N 3.46Å; V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 PolarHBondContact O-N 3.48Å; V171-V175 VanDerWaalsContact O-N 3.13Å |
| 172 | L | 71.9 | Confident | 72.4 | Confident | 111 Ų | 111 | 76.8 Ų | 76.8 | 58% | 0.581 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | -178.5 | -172.5 | 65.6 | 0 | 0 | 0 | 112.3 | F168 V176 | F168-L172 WeakPolarHBondContact O-CB 3.37Å; F168-L172 PolarHBondContact O-N 3.41Å; L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 2.89Å |
| 173 | I | 74.4 | Confident | 73 | Confident | 87 Ų | 87 | 78.8 Ų | 78.8 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 178.7 | -64.9 | -76.4 | 0 | 0 | 0 | 111.1 | L169 V171 S177 | L169-I173 VanDerWaalsContact O-CG1 3.28Å; L169-I173 WeakPolarHBondContact O-CG1 3.33Å; L169-I173 PolarHBondContact O-N 3.41Å; V171-I173 VanDerWaalsContact C-N 3.34Å; V171-I173 PolarHBondContact O-N 3.03Å; I173-S177 WeakPolarHBondContact O-CB 3.37Å; I173-S177 PolarHBondContact O-N 3.22Å |
| 174 | I | 76.4 | Confident | 72.6 | Confident | 59 Ų | 59 | 87.6 Ų | 87.6 | 30% | 0.303 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 179.2 | -64.6 | 170.6 | 0 | 0 | 0 | 110.9 | G170 V171 V176 S177 V178 | G170-I174 WeakPolarHBondContact O-CG1 3.28Å; G170-I174 PolarHBondContact O-N 3.27Å; V171-I174 PolarHBondContact O-N 3.46Å; I174-V176 PolarHBondContact O-N 3.49Å; I174-S177 PolarHBondContact O-N 3.43Å; I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.31Å |
| 175 | V | 76.8 | Confident | 73.3 | Confident | 82 Ų | 82 | 88.1 Ų | 88.1 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 112 | V171 V178 T179 | V171-V175 HydrophobicContact CG1-CG2 4.41Å; V171-V175 PolarHBondContact O-N 3.48Å; V171-V175 VanDerWaalsContact O-N 3.13Å; V175-V178 PolarHBondContact O-N 3.5Å; V175-T179 PolarHBondContact O-N 3.06Å; V175-T179 PolarHBondContact O-OG1 2.93Å |
| 176 | V | 78.7 | Confident | 73.6 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L172 I174 V178 T179 V180 | L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.43Å; L172-V176 PolarHBondContact O-N 2.89Å; I174-V176 PolarHBondContact O-N 3.49Å; V176-V178 PolarHBondContact O-N 3.46Å; V176-T179 PolarHBondContact O-N 3.09Å; V176-V180 HydrophobicContact CG1-CG2 4.5Å; V176-V180 WeakPolarHBondContact O-CG2 3.46Å; V176-V180 PolarHBondContact O-N 3.02Å |
| 177 | S | 73.9 | Confident | 74.2 | Confident | 48 Ų | 48 | 92.8 Ų | 92.8 | 34% | 0.336 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 178.9 | -163.5 | 0 | 0 | 0 | 0 | 111.9 | I173 I174 S181 | I173-S177 WeakPolarHBondContact O-CB 3.37Å; I173-S177 PolarHBondContact O-N 3.22Å; I174-S177 PolarHBondContact O-N 3.43Å; S177-S181 VanDerWaalsContact O-CB 3.3Å; S177-S181 WeakPolarHBondContact O-CB 3.5Å; S177-S181 PolarHBondContact O-N 3.46Å; S177-S181 PolarHBondContact O-OG 3.27Å; S177-S181 VanDerWaalsContact O-OG 3.07Å |
| 178 | V | 78.9 | Confident | 74.4 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | I174 V175 V176 V180 S181 V182 | I174-V178 WeakPolarHBondContact O-CG2 3.3Å; I174-V178 PolarHBondContact O-N 3.31Å; V175-V178 PolarHBondContact O-N 3.5Å; V176-V178 PolarHBondContact O-N 3.46Å; V178-V180 PolarHBondContact O-N 3.19Å; V178-S181 PolarHBondContact O-N 2.69Å; V178-V182 HydrophobicContact CG1-CG2 4.27Å; V178-V182 WeakPolarHBondContact O-CB 3.22Å; V178-V182 WeakPolarHBondContact O-CG2 3.32Å; V178-V182 PolarHBondContact O-N 3.07Å |
| 179 | T | 76.6 | Confident | 74.7 | Confident | 81 Ų | 81 | 88.6 Ų | 88.6 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 179.5 | -50.7 | 0 | 0 | 0 | 0 | 111.3 | V175 V176 V182 T183 | V175-T179 PolarHBondContact O-N 3.06Å; V175-T179 PolarHBondContact O-OG1 2.93Å; V176-T179 PolarHBondContact O-N 3.09Å; T179-V182 PolarHBondContact O-N 3.2Å; T179-T183 VanDerWaalsContact O-CB 3.28Å; T179-T183 WeakPolarHBondContact O-CB 3.17Å; T179-T183 PolarHBondContact O-N 3.15Å; T179-T183 PolarHBondContact O-OG1 2.83Å |
| 180 | V | 82.8 | Confident | 75.1 | Confident | 81 Ų | 81 | 89.5 Ų | 89.5 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | V176 V178 T183 K184 | V176-V180 HydrophobicContact CG1-CG2 4.5Å; V176-V180 WeakPolarHBondContact O-CG2 3.46Å; V176-V180 PolarHBondContact O-N 3.02Å; V178-V180 PolarHBondContact O-N 3.19Å; V180-T183 PolarHBondContact O-N 3.44Å; V180-K184 HydrophobicContact CG1-CD 4.41Å; V180-K184 WeakPolarHBondContact O-CB 3.36Å; V180-K184 WeakPolarHBondContact O-CG 3.16Å; V180-K184 PolarHBondContact O-N 3.35Å; V180-K184 VanDerWaalsContact O-N 3.09Å |
| 181 | S | 81.1 | Confident | 75.5 | Confident | 82 Ų | 82 | 95.6 Ų | 95.6 | 57% | 0.573 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.6 | -27.1 | 177.7 | -70.9 | 0 | 0 | 0 | 0 | 114.5 | S177 V178 | S177-S181 VanDerWaalsContact O-CB 3.3Å; S177-S181 WeakPolarHBondContact O-CB 3.5Å; S177-S181 PolarHBondContact O-N 3.46Å; S177-S181 PolarHBondContact O-OG 3.27Å; S177-S181 VanDerWaalsContact O-OG 3.07Å; V178-S181 PolarHBondContact O-N 2.69Å |
| 182 | V | 80.1 | Confident | 75.8 | Confident | 116 Ų | 116 | 96.5 Ų | 96.5 | 70% | 0.703 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -85.5 | -26.2 | 176.3 | 166.7 | 0 | 0 | 0 | 0 | 112 | V178 T179 | V178-V182 HydrophobicContact CG1-CG2 4.27Å; V178-V182 WeakPolarHBondContact O-CB 3.22Å; V178-V182 WeakPolarHBondContact O-CG2 3.32Å; V178-V182 PolarHBondContact O-N 3.07Å; T179-V182 PolarHBondContact O-N 3.2Å |
| 183 | T | 75.9 | Confident | 76.1 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -87.8 | -20 | -179.8 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | T179 V180 | T179-T183 VanDerWaalsContact O-CB 3.28Å; T179-T183 WeakPolarHBondContact O-CB 3.17Å; T179-T183 PolarHBondContact O-N 3.15Å; T179-T183 PolarHBondContact O-OG1 2.83Å; V180-T183 PolarHBondContact O-N 3.44Å |
| 184 | K | 57.7 | Low | 76.3 | Confident | 227 Ų | 227 | 96.1 Ų | 96.1 | 99% | 0.987 | 55% | 0.554 | S | S | * | * | | | trans | -85.8 | 0 | 169.3 | -76.5 | -170.9 | 86.4 | 76.1 | 0 | 111.1 | V180 | V180-K184 HydrophobicContact CG1-CD 4.41Å; V180-K184 WeakPolarHBondContact O-CB 3.36Å; V180-K184 WeakPolarHBondContact O-CG 3.16Å; V180-K184 PolarHBondContact O-N 3.35Å; V180-K184 VanDerWaalsContact O-N 3.09Å |