| 1 | M | 44.1 | Very low | 57.3 | Low | 230 Ų | 230 | 142.5 Ų | 142.5 | 100% | 1.133 | 83% | 0.828 | S | S | * | * | | | | 0 | 89.8 | 0 | -67.3 | 169.7 | 179.7 | 0 | 0 | 106.5 | N3 | M1-N3 PolarHBondContact O-N 3.43Š|
| 2 | S | 47.4 | Very low | 56.4 | Low | 109 Ų | 109 | 136.7 Ų | 136.7 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | | | trans | -81.7 | 116.9 | -171.6 | -51.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 3 | N | 55.9 | Low | 56.4 | Low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | -98.9 | 90.1 | 171 | -71.7 | -84.9 | 0 | 0 | 0 | 107.6 | M1 | M1-N3 PolarHBondContact O-N 3.43Š|
| 4 | E | 66.5 | Low | 55.7 | Low | 174 Ų | 174 | 136.9 Ų | 136.9 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 133.1 | 169.5 | -84.8 | 168.6 | 70.1 | 0 | 0 | 110 | | |
| 5 | P | 70.8 | Confident | 54.9 | Low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 153.4 | 175.3 | 30.9 | -34.4 | 0 | 0 | 0 | 111.3 | | |
| 6 | P | 65 | Low | 54.4 | Low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 154.1 | 178.4 | 28.3 | -35.2 | 0 | 0 | 0 | 112.3 | | |
| 7 | P | 66.8 | Low | 53.9 | Low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 157 | -175.8 | 28.8 | -35.9 | 0 | 0 | 0 | 113.1 | | |
| 8 | P | 60.1 | Low | 53.6 | Low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.6 | 178.2 | -15.1 | 29.6 | 0 | 0 | 0 | 111.7 | | |
| 9 | Y | 49.2 | Very low | 53.1 | Low | 225 Ų | 225 | 136.4 Ų | 136.4 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 128.3 | 172.4 | -77.2 | -86 | 0 | 0 | 0 | 111.1 | G11 | Y9-G11 PolarHBondContact O-N 3.29Š|
| 10 | P | 59.5 | Low | 52.7 | Low | 129 Ų | 129 | 139.8 Ų | 139.8 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 123.5 | 172.6 | -17.2 | 31.2 | 0 | 0 | 0 | 110.6 | | |
| 11 | G | 45.1 | Very low | 52 | Low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 158.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y9 | Y9-G11 PolarHBondContact O-N 3.29Š|
| 12 | G | 46.3 | Very low | 51.8 | Low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 110.4 | 133.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 13 | P | 57.1 | Low | 51.3 | Low | 133 Ų | 133 | 134.5 Ų | 134.5 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -96.3 | 123.1 | -179.4 | 34.9 | -30.3 | 0 | 0 | 0 | 113 | | |
| 14 | T | 45.5 | Very low | 50.4 | Low | 143 Ų | 143 | 131.7 Ų | 131.7 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -145.3 | 122.5 | 169.8 | -39 | 0 | 0 | 0 | 0 | 110.8 | | |
| 15 | A | 45 | Very low | 49.5 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | | | trans | -84.8 | 157.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 16 | P | 45.9 | Very low | 48.3 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | | -142.8 | 147.9 | 99.3 | 30.8 | -12.2 | 0 | 0 | 0 | 114.2 | | |
| 17 | L | 46.7 | Very low | 47.3 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | | 36.4 | 128.2 | 100.5 | -46.3 | -169.7 | 0 | 0 | 0 | 113.9 | | |
| 18 | L | 47.6 | Very low | 46 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | cis | -141.3 | -176.2 | 17.9 | -58.5 | 160.4 | 0 | 0 | 0 | 108.5 | | |
| 19 | E | 45.1 | Very low | 45 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | | | cis | -134.5 | 169.2 | -1.1 | -79.5 | -172.7 | 55 | 0 | 0 | 108.8 | | |
| 20 | E | 44.4 | Very low | 44.5 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | | | trans | -133.3 | 121.5 | 149.2 | -169.2 | -179.2 | 94.7 | 0 | 0 | 109 | | |
| 21 | K | 38.5 | Very low | 43.7 | Very low | 168 Ų | 168 | 129.1 Ų | 129.1 | 73% | 0.73 | 81% | 0.814 | S | S | * | * | | | trans | -114.5 | 137.3 | -171.7 | -175 | 175.5 | 176.9 | 176.7 | 0 | 111.7 | | |
| 22 | S | 39.6 | Very low | 43.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | 69.3 | 107.4 | 164.3 | 40.6 | 0 | 0 | 0 | 0 | 119.8 | | |
| 23 | G | 35.9 | Very low | 43.7 | Very low | 83 Ų | 83 | 132 Ų | 132 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | 145.4 | 81.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 24 | A | 37.4 | Very low | 42.9 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -84.1 | 158.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 25 | P | 47.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | | -137.8 | 177.5 | 71 | 36.4 | -17.2 | 0 | 0 | 0 | 114.2 | | |
| 26 | P | 47 | Very low | 43.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -95.8 | 150.8 | -154.7 | 36.2 | -35.1 | 0 | 0 | 0 | 115.7 | | |
| 27 | T | 43.3 | Very low | 43.8 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -118.8 | 127.9 | 156.2 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 28 | P | 40 | Very low | 44.1 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | | | trans | -81.4 | 150.3 | -178.6 | 32.8 | -34.3 | 0 | 0 | 0 | 111.6 | | |
| 29 | G | 37.7 | Very low | 44.4 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 107.1 | 52.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 30 | R | 39.9 | Very low | 44.7 | Very low | 232 Ų | 232 | 131.2 Ų | 131.2 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -84.1 | 106.6 | 156.8 | -177 | -179.9 | -175.8 | 170.2 | 3.3 | 109.3 | | |
| 31 | S | 42 | Very low | 45.2 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -98.9 | 122.8 | 152.8 | 45.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 32 | S | 48.6 | Very low | 45.8 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | | | trans | -63.2 | 153.4 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | A34 | S32-A34 PolarHBondContact O-N 3.16Š|
| 33 | P | 43.2 | Very low | 46.3 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -62.8 | 107.8 | 167.3 | 27.2 | -32.9 | 0 | 0 | 0 | 108.7 | | |
| 34 | A | 40.5 | Very low | 47.4 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | -64 | 136.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S32 M36 | S32-A34 PolarHBondContact O-N 3.16Å; A34-M36 PolarHBondContact O-N 3.42Å |
| 35 | V | 48.9 | Very low | 48.4 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -56.9 | 112.4 | 169.9 | 171.2 | 0 | 0 | 0 | 0 | 108.1 | Q37 | V35-Q37 PolarHBondContact O-N 3.48Š|
| 36 | M | 48.3 | Very low | 48.7 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 89% | 0.892 | 79% | 0.79 | S | S | * | * | | | trans | -72.5 | 98.9 | 177.6 | -161 | 72.9 | 175.3 | 0 | 0 | 108.6 | A34 | A34-M36 PolarHBondContact O-N 3.42Š|
| 37 | Q | 57.8 | Low | 49.2 | Very low | 169 Ų | 169 | 128.3 Ų | 128.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.4 | 170.8 | -71.3 | 179.2 | -62.7 | 0 | 0 | 109.4 | V35 | V35-Q37 PolarHBondContact O-N 3.48Š|
| 38 | P | 53.7 | Low | 49.8 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.6 | 169.9 | 29.5 | -33.2 | 0 | 0 | 0 | 110.7 | | |
| 39 | P | 53.6 | Low | 50.6 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 145.1 | -176.3 | 27.7 | -35 | 0 | 0 | 0 | 112.8 | | |
| 40 | P | 49.9 | Very low | 51.6 | Low | 135 Ų | 135 | 129.2 Ų | 129.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -78.5 | 129.5 | 178.6 | 31.6 | -33.5 | 0 | 0 | 0 | 111.4 | | |
| 41 | G | 55.8 | Low | 52.5 | Low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 152.1 | -4.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 42 | M | 51.4 | Low | 53.4 | Low | 162 Ų | 162 | 124.2 Ų | 124.2 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 126.3 | -177 | -46.1 | -67.6 | -86.8 | 0 | 0 | 110.3 | L44 | M42-L44 PolarHBondContact O-N 3.32Š|
| 43 | P | 50 | Low | 53.9 | Low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 124.4 | 170.1 | -21 | 33.1 | 0 | 0 | 0 | 110.6 | | |
| 44 | L | 58.6 | Low | 54.3 | Low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71 | 133.1 | 173.5 | -65.3 | 170.1 | 0 | 0 | 0 | 109.3 | M42 | M42-L44 PolarHBondContact O-N 3.32Š|
| 45 | P | 57.9 | Low | 55.2 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 148.4 | 169.7 | 28.9 | -33.7 | 0 | 0 | 0 | 110.1 | A47 | P45-A47 PolarHBondContact O-N 3.1Š|
| 46 | P | 55.4 | Low | 55.4 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58 | 131.2 | 177.5 | -24 | 34.1 | 0 | 0 | 0 | 111.9 | D48 | P46-D48 PolarHBondContact O-N 3.46Š|
| 47 | A | 56.2 | Low | 55.7 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -80.3 | 38.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P45 | P45-A47 PolarHBondContact O-N 3.1Š|
| 48 | D | 57.6 | Low | 55.6 | Low | 152 Ų | 152 | 124.4 Ų | 124.4 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | -115.3 | 17.9 | -170.1 | -115.3 | -48.6 | 0 | 0 | 0 | 113.6 | P46 | P46-D48 PolarHBondContact O-N 3.46Š|
| 49 | I | 55.8 | Low | 55.7 | Low | 165 Ų | 165 | 125.2 Ų | 125.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -116 | 87.2 | 171.1 | -57.7 | 176 | 0 | 0 | 0 | 107.7 | | |
| 50 | G | 59.7 | Low | 55.5 | Low | 53 Ų | 53 | 126.1 Ų | 126.1 | 55% | 0.546 | 77% | 0.767 | S | S | . | * | P | Polyproline II helix | trans | -63 | 161.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 51 | P | 57.7 | Low | 55.5 | Low | 123 Ų | 123 | 128.1 Ų | 128.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 141.8 | 172.7 | 26.7 | -34.1 | 0 | 0 | 0 | 109.9 | | |
| 52 | P | 60.4 | Low | 55.4 | Low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 145.5 | -179.4 | 25.4 | -34.2 | 0 | 0 | 0 | 110.6 | Y54 | P52-Y54 PolarHBondContact O-N 3.32Š|
| 53 | P | 60.3 | Low | 55.2 | Low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138.8 | 173.9 | -23.2 | 33.6 | 0 | 0 | 0 | 110.9 | E55 | P53-E55 PolarHBondContact O-N 3.12Š|
| 54 | Y | 51.6 | Low | 55.1 | Low | 224 Ų | 224 | 131.9 Ų | 131.9 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | | | trans | -74.1 | 112.3 | 170.2 | 57.7 | -84.7 | 0 | 0 | 0 | 108.5 | P52 | P52-Y54 PolarHBondContact O-N 3.32Š|
| 55 | E | 58 | Low | 55 | Low | 163 Ų | 163 | 127.4 Ų | 127.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | -84.4 | 132.9 | 169.2 | -91.6 | 177.9 | 78.3 | 0 | 0 | 110.3 | P53 | P53-E55 PolarHBondContact O-N 3.12Š|
| 56 | P | 54.3 | Low | 54.4 | Low | 81 Ų | 81 | 131.9 Ų | 131.9 | 53% | 0.526 | 78% | 0.777 | S | S | . | * | | | trans | -71.9 | 146.4 | 177.5 | 29.7 | -33.4 | 0 | 0 | 0 | 111.2 | G58 | P56-G58 PolarHBondContact O-N 3.31Š|
| 57 | P | 54.3 | Low | 54.2 | Low | 146 Ų | 146 | 134.1 Ų | 134.1 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -73.8 | 92.6 | -176.7 | 29.2 | -34.5 | 0 | 0 | 0 | 111.5 | | |
| 58 | G | 55.8 | Low | 53.9 | Low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | | | trans | -169 | 11 | 178.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | P56 | P56-G58 PolarHBondContact O-N 3.31Š|
| 59 | H | 54.6 | Low | 53.7 | Low | 130 Ų | 130 | 132 Ų | 132 | 60% | 0.602 | 77% | 0.766 | S | S | * | * | | | trans | -128.8 | 109.7 | -169.3 | -46.5 | -39.8 | 0 | 0 | 0 | 111.8 | M61 | H59-M61 PolarHBondContact O-N 3.44Š|
| 60 | P | 50.4 | Low | 53.5 | Low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | -74.2 | 110 | 172.2 | -13.8 | 29.4 | 0 | 0 | 0 | 110.5 | | |
| 61 | M | 50.6 | Low | 52.6 | Low | 177 Ų | 177 | 138.6 Ų | 138.6 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.3 | 172.3 | -158.9 | -176.5 | -150.8 | 0 | 0 | 109.8 | H59 Q63 | H59-M61 PolarHBondContact O-N 3.44Å; M61-Q63 PolarHBondContact O-N 3.38Å |
| 62 | P | 53 | Low | 51.8 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 116.3 | -178 | 28 | -33.4 | 0 | 0 | 0 | 111.4 | | |
| 63 | Q | 46.1 | Very low | 51.3 | Low | 183 Ų | 183 | 136.8 Ų | 136.8 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 123.4 | 171.5 | -68.4 | -163.5 | -10.8 | 0 | 0 | 111.2 | M61 G65 | M61-Q63 PolarHBondContact O-N 3.38Å; Q63-G65 PolarHBondContact O-N 3.19Å |
| 64 | P | 49.7 | Very low | 50.5 | Low | 137 Ų | 137 | 138.5 Ų | 138.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 95.4 | 171.4 | 31.7 | -31.2 | 0 | 0 | 0 | 109.6 | | |
| 65 | G | 55.4 | Low | 50.3 | Low | 68 Ų | 68 | 132.1 Ų | 132.1 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 176.8 | -5.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | Q63 | Q63-G65 PolarHBondContact O-N 3.19Š|
| 66 | F | 44.7 | Very low | 49.1 | Very low | 202 Ų | 202 | 128.9 Ų | 128.9 | 89% | 0.886 | 79% | 0.786 | S | S | * | * | | | trans | -129.5 | 118.3 | 178.9 | -117.8 | -97 | 0 | 0 | 0 | 112.2 | | |
| 67 | I | 52 | Low | 48.6 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 116.4 | 179.2 | -52.5 | 162.6 | 0 | 0 | 0 | 107.2 | | |
| 68 | P | 51.1 | Low | 48.4 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 155.4 | 174.2 | 28.9 | -34.2 | 0 | 0 | 0 | 111.1 | H70 | P68-H70 PolarHBondContact O-N 3.05Š|
| 69 | P | 51.4 | Low | 48 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.4 | 178.6 | 24.6 | -33.2 | 0 | 0 | 0 | 111.4 | M71 | P69-M71 PolarHBondContact O-N 3.09Š|
| 70 | H | 52.7 | Low | 47.8 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 123.6 | -172.5 | 49.3 | -88.4 | 0 | 0 | 0 | 113.5 | P68 | P68-H70 PolarHBondContact O-N 3.05Š|
| 71 | M | 41.3 | Very low | 47.8 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | -102.8 | 93.1 | 158.2 | -73.7 | -178.6 | 163.6 | 0 | 0 | 107.9 | P69 A73 | P69-M71 PolarHBondContact O-N 3.09Å; M71-A73 PolarHBondContact O-N 2.85Å |
| 72 | S | 40 | Very low | 47.3 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -73.9 | 112.2 | 175.4 | -57.5 | 0 | 0 | 0 | 0 | 109.5 | D74 | S72-D74 PolarHBondContact O-N 2.93Å; S72-D74 VanDerWaalsContact O-N 3.12Å |
| 73 | A | 50.5 | Low | 47.3 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -87.2 | 70.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M71 | M71-A73 PolarHBondContact O-N 2.85Š|
| 74 | D | 42.5 | Very low | 47.7 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -133.6 | 123.4 | 166.7 | -79.2 | -65.5 | 0 | 0 | 0 | 109.7 | S72 A76 | S72-D74 PolarHBondContact O-N 2.93Å; S72-D74 VanDerWaalsContact O-N 3.12Å; D74-A76 PolarHBondContact O-N 2.98Å |
| 75 | G | 48.3 | Very low | 48.3 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 94% | 0.938 | 80% | 0.796 | S | S | * | * | | | trans | -74.3 | 115.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 76 | A | 33.5 | Very low | 48.3 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | | | trans | -139 | 132 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D74 | D74-A76 PolarHBondContact O-N 2.98Š|
| 77 | Y | 42.5 | Very low | 48.7 | Very low | 213 Ų | 213 | 133.9 Ų | 133.9 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124.9 | -179.1 | -178.6 | -92.1 | 0 | 0 | 0 | 111.9 | | |
| 78 | M | 51.2 | Low | 48.6 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 130.8 | 172.1 | -67.5 | -153.1 | 81.3 | 0 | 0 | 110.8 | | |
| 79 | P | 46.9 | Very low | 48.8 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 135.1 | 174.1 | 30.8 | -33.3 | 0 | 0 | 0 | 111.1 | G81 | P79-G81 PolarHBondContact O-N 3.01Š|
| 80 | P | 50.1 | Low | 48.6 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 117.4 | 173.6 | 30.9 | -31.7 | 0 | 0 | 0 | 109.8 | | |
| 81 | G | 49.5 | Very low | 48.4 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -172.8 | -8.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | P79 | P79-G81 PolarHBondContact O-N 3.01Š|
| 82 | F | 41.4 | Very low | 48.9 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -128.8 | 94.4 | -175.3 | -85.9 | -92.3 | 0 | 0 | 0 | 114 | | |
| 83 | Y | 53.3 | Low | 48.8 | Very low | 226 Ų | 226 | 131.7 Ų | 131.7 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86 | 132.1 | 155.5 | -87.2 | -91.3 | 0 | 0 | 0 | 109.3 | | |
| 84 | P | 54.7 | Low | 48.5 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74 | 141.7 | 170.4 | 30 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 85 | P | 61.1 | Low | 48.8 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78 | 154.2 | -177.7 | 31.4 | -35.5 | 0 | 0 | 0 | 112.9 | G87 | P85-G87 PolarHBondContact O-N 2.86Š|
| 86 | P | 56 | Low | 49.2 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 128.5 | 170.9 | -17.5 | 31.1 | 0 | 0 | 0 | 111.3 | | |
| 87 | G | 52.2 | Low | 50.1 | Low | 64 Ų | 64 | 143.4 Ų | 143.4 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 161.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | P85 | P85-G87 PolarHBondContact O-N 2.86Š|
| 88 | P | 50.4 | Low | 50.6 | Low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 140.2 | -175.7 | -15.2 | 30.3 | 0 | 0 | 0 | 112.9 | | |
| 89 | H | 55.6 | Low | 50.4 | Low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.1 | 169.7 | 37.5 | -98.4 | 0 | 0 | 0 | 111 | | |
| 90 | A | 47.7 | Very low | 50.4 | Low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 140.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 91 | P | 48.1 | Very low | 50.8 | Low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 152.8 | -178.5 | 31.2 | -34.8 | 0 | 0 | 0 | 112.9 | G93 | P91-G93 PolarHBondContact O-N 3.19Š|
| 92 | M | 52.2 | Low | 50.7 | Low | 193 Ų | 193 | 142.6 Ų | 142.6 | 95% | 0.951 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.1 | -176.6 | -59.7 | -69.1 | -131.4 | 0 | 0 | 113.1 | | |
| 93 | G | 38.2 | Very low | 51.1 | Low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 121.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P91 Y95 | P91-G93 PolarHBondContact O-N 3.19Å; G93-Y95 PolarHBondContact O-N 3.28Å |
| 94 | Y | 43.8 | Very low | 50.9 | Low | 237 Ų | 237 | 130.5 Ų | 130.5 | 93% | 0.929 | 79% | 0.786 | S | S | * | * | | | trans | -73.2 | 115.3 | 176.8 | -151.8 | -92.2 | 0 | 0 | 0 | 110.2 | | |
| 95 | Y | 48.9 | Very low | 50.3 | Low | 213 Ų | 213 | 135.6 Ų | 135.6 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | | | trans | -83.9 | 136.1 | 179.2 | -97.5 | -94.8 | 0 | 0 | 0 | 112.1 | G93 | G93-Y95 PolarHBondContact O-N 3.28Š|
| 96 | P | 56.1 | Low | 49.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | trans | -75.2 | 155.4 | 168.9 | 32.2 | -34.4 | 0 | 0 | 0 | 111.4 | G98 | P96-G98 PolarHBondContact O-N 3.13Å; P96-G98 VanDerWaalsContact O-N 3.16Å |
| 97 | P | 52.5 | Low | 49.4 | Very low | 134 Ų | 134 | 133 Ų | 133 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | 109.5 | -180 | 28.9 | -33.8 | 0 | 0 | 0 | 111.4 | | |
| 98 | G | 53.6 | Low | 49.1 | Very low | 59 Ų | 59 | 136.5 Ų | 136.5 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | | | trans | -75.3 | 159.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P96 Y100 | P96-G98 PolarHBondContact O-N 3.13Å; P96-G98 VanDerWaalsContact O-N 3.16Å; G98-Y100 PolarHBondContact O-N 3.04Å |
| 99 | P | 46.5 | Very low | 49.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -66.8 | 133.4 | -179.4 | 27.7 | -34.1 | 0 | 0 | 0 | 111.7 | T101 | P99-T101 PolarHBondContact O-N 3.34Š|
| 100 | Y | 47.3 | Very low | 48.5 | Very low | 221 Ų | 221 | 128.7 Ų | 128.7 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -66.8 | 114 | 179.9 | 34.1 | -88.6 | 0 | 0 | 0 | 111.6 | G98 | G98-Y100 PolarHBondContact O-N 3.04Š|
| 101 | T | 58.9 | Low | 48.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -99.6 | 129.4 | 159.9 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | P99 G103 | P99-T101 PolarHBondContact O-N 3.34Å; T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.1Å |
| 102 | P | 46.6 | Very low | 48.5 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -73.9 | 104.4 | 177.1 | 28.9 | -32.1 | 0 | 0 | 0 | 109.5 | | |
| 103 | G | 50.6 | Low | 48.4 | Very low | 58 Ų | 58 | 128 Ų | 128 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T101 | T101-G103 PolarHBondContact O-N 2.96Å; T101-G103 VanDerWaalsContact O-N 3.1Å |
| 104 | P | 48.9 | Very low | 48.6 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 134.2 | 175 | 28.5 | -33 | 0 | 0 | 0 | 110.6 | | |
| 105 | Y | 42.2 | Very low | 48.7 | Very low | 221 Ų | 221 | 124.7 Ų | 124.7 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 137.5 | 176 | -75.8 | -101.1 | 0 | 0 | 0 | 111.2 | G107 | Y105-G107 PolarHBondContact O-N 3.09Š|
| 106 | P | 46.8 | Very low | 48.4 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | | | trans | -74.3 | 107.4 | 170.7 | 29.7 | -31.7 | 0 | 0 | 0 | 110.1 | | |
| 107 | G | 49.8 | Very low | 47.7 | Very low | 61 Ų | 61 | 122.3 Ų | 122.3 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | -69.5 | 154.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y105 | Y105-G107 PolarHBondContact O-N 3.09Š|
| 108 | P | 46.9 | Very low | 47.2 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 90% | 0.903 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -73.5 | 133.3 | -173.4 | 29.3 | -34.5 | 0 | 0 | 0 | 112.5 | | |
| 109 | G | 49.3 | Very low | 47 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 87.9 | 51.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 110 | G | 43.9 | Very low | 47.2 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | trans | -149 | 97.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T112 | G110-T112 VanDerWaalsContact C-N 3.25Å; G110-T112 PolarHBondContact O-N 2.98Å |
| 111 | H | 47.5 | Very low | 47.3 | Very low | 187 Ų | 187 | 116.7 Ų | 116.7 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -78.8 | 74.1 | 178 | 31 | -99.3 | 0 | 0 | 0 | 111 | A113 | H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.48Å |
| 112 | T | 48.5 | Very low | 46.3 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | | | trans | -70 | 89.6 | 162.7 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | G110 T114 | G110-T112 VanDerWaalsContact C-N 3.25Å; G110-T112 PolarHBondContact O-N 2.98Å; T112-T114 PolarHBondContact O-N 3.27Å |
| 113 | A | 48.8 | Very low | 46.2 | Very low | 85 Ų | 85 | 114.7 Ų | 114.7 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | | | trans | -67.4 | 99 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | H111 V115 | H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.48Å; A113-V115 VanDerWaalsContact C-N 3.25Å; A113-V115 PolarHBondContact O-N 3.34Å |
| 114 | T | 42.7 | Very low | 45.9 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | | | trans | -69.7 | 85.5 | 170.7 | -52.1 | 0 | 0 | 0 | 0 | 109 | T112 L116 | T112-T114 PolarHBondContact O-N 3.27Å; T114-L116 PolarHBondContact O-N 2.96Å; T114-L116 VanDerWaalsContact O-N 3.09Å |
| 115 | V | 47.1 | Very low | 45.9 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | | | trans | -67.9 | 106.7 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | A113 V117 | A113-V115 VanDerWaalsContact C-N 3.25Å; A113-V115 PolarHBondContact O-N 3.34Å; V115-V117 HydrophobicContact CG1-CG2 4.37Å; V115-V117 PolarHBondContact O-N 3.27Å |
| 116 | L | 41.7 | Very low | 46.2 | Very low | 158 Ų | 158 | 111.9 Ų | 111.9 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | -64.5 | 102 | 166.2 | -75.2 | 160.8 | 0 | 0 | 0 | 108.1 | T114 P118 | T114-L116 PolarHBondContact O-N 2.96Å; T114-L116 VanDerWaalsContact O-N 3.09Å; L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å |
| 117 | V | 42.2 | Very low | 46.3 | Very low | 107 Ų | 107 | 112 Ų | 112 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | | | trans | -77.5 | 116.6 | 179.4 | 178 | 0 | 0 | 0 | 0 | 109.6 | V115 | V115-V117 HydrophobicContact CG1-CG2 4.37Å; V115-V117 PolarHBondContact O-N 3.27Å |
| 118 | P | 41.4 | Very low | 46.4 | Very low | 110 Ų | 110 | 112.3 Ų | 112.3 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | trans | -68.4 | 138.5 | 164.9 | -10.9 | 28.5 | 0 | 0 | 0 | 108.6 | L116 G120 | L116-P118 VanDerWaalsContact O-CD 3.29Å; L116-P118 WeakPolarHBondContact O-CD 3.29Å; P118-G120 PolarHBondContact O-N 3.23Å |
| 119 | S | 49.1 | Very low | 46 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 92% | 0.923 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -65.8 | 93.2 | 179.3 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 120 | G | 50.1 | Low | 45.8 | Very low | 64 Ų | 64 | 112.5 Ų | 112.5 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 174.1 | 81 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | P118 | P118-G120 PolarHBondContact O-N 3.23Š|
| 121 | A | 49.5 | Very low | 45.7 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | | | trans | 38.9 | 87.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 122 | A | 39 | Very low | 45.6 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | | | trans | -142.6 | 107 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111 | T124 | A122-T124 PolarHBondContact O-N 3.25Å; A122-T124 VanDerWaalsContact O-N 3.13Å |
| 123 | T | 44.4 | Very low | 45.6 | Very low | 136 Ų | 136 | 112.9 Ų | 112.9 | 83% | 0.834 | 71% | 0.706 | S | S | * | * | | | trans | -74.7 | 94 | 170 | 23.6 | 0 | 0 | 0 | 0 | 109.7 | V125 | T123-V125 PolarHBondContact O-N 2.92Š|
| 124 | T | 43.8 | Very low | 45.6 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | | | trans | -68.1 | 98.7 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | A122 T126 | A122-T124 PolarHBondContact O-N 3.25Å; A122-T124 VanDerWaalsContact O-N 3.13Å; T124-T126 PolarHBondContact O-N 3.33Å; T124-T126 VanDerWaalsContact O-N 3.09Å |
| 125 | V | 49.9 | Very low | 45.7 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | | | trans | -74.9 | 95.3 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | T123 V127 | T123-V125 PolarHBondContact O-N 2.92Å; V125-V127 PolarHBondContact O-N 2.85Å |
| 126 | T | 47.4 | Very low | 45.4 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | | | trans | -69.2 | 101.3 | 173.4 | -48.9 | 0 | 0 | 0 | 0 | 109.1 | T124 L128 | T124-T126 PolarHBondContact O-N 3.33Å; T124-T126 VanDerWaalsContact O-N 3.09Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 HydrophobicContact CG2-CD1 4.2Å; T126-L128 HydrophobicContact CG2-CG 4.18Å; T126-L128 PolarHBondContact O-N 3.12Å |
| 127 | V | 49.2 | Very low | 45.3 | Very low | 131 Ų | 131 | 109.1 Ų | 109.1 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | | | trans | -71.8 | 90.4 | 171.5 | -177.7 | 0 | 0 | 0 | 0 | 108.1 | V125 Q129 | V125-V127 PolarHBondContact O-N 2.85Å; V127-Q129 PolarHBondContact O-N 2.76Å |
| 128 | L | 51 | Low | 45.7 | Very low | 67 Ų | 67 | 105.5 Ų | 105.5 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | | | trans | -72.2 | 112.2 | 174 | -78.6 | 122.2 | 0 | 0 | 0 | 109.6 | T126 F133 V138 T140 | T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 HydrophobicContact CG2-CD1 4.2Å; T126-L128 HydrophobicContact CG2-CG 4.18Å; T126-L128 PolarHBondContact O-N 3.12Å; L128-F133 HydrophobicContact CB-CE2 4.33Å; L128-V138 HydrophobicContact CD1-CG1 3.86Å; L128-V138 HydrophobicContact CD2-CG1 4.12Å; L128-T140 HydrophobicContact CD1-CG2 4.48Å |
| 129 | Q | 39.1 | Very low | 45.8 | Very low | 162 Ų | 162 | 106.6 Ų | 106.6 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | | | trans | -65.5 | 129.1 | 176.9 | -163.5 | 161.7 | 7.9 | 0 | 0 | 110 | V127 E131 | V127-Q129 PolarHBondContact O-N 2.76Å; Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 3.16Å |
| 130 | G | 45.3 | Very low | 45.9 | Very low | 65 Ų | 65 | 102.9 Ų | 102.9 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 40.9 | -155.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 131 | E | 43 | Very low | 46 | Very low | 175 Ų | 175 | 104.3 Ų | 104.3 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 7 | -175.7 | -75.9 | -177.7 | 101.1 | 0 | 0 | 115.2 | Q129 | Q129-E131 VanDerWaalsContact C-N 3.29Å; Q129-E131 PolarHBondContact O-N 3.16Å |
| 132 | I | 43.9 | Very low | 46 | Very low | 124 Ų | 124 | 99.4 Ų | 99.4 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | | | trans | -123.2 | 20.9 | 178.1 | 63.2 | 168.2 | 0 | 0 | 0 | 114.4 | E134 | I132-E134 VanDerWaalsContact C-N 3.3Å; I132-E134 PolarHBondContact O-N 3.14Å |
| 133 | F | 49.6 | Very low | 46.4 | Very low | 82 Ų | 82 | 100.6 Ų | 100.6 | 36% | 0.36 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | 20.8 | -175.2 | -94.5 | -77.9 | 0 | 0 | 0 | 115.4 | L128 V138 | L128-F133 HydrophobicContact CB-CE2 4.33Å; F133-V138 HydrophobicContact CE1-CB 4.26Å; F133-V138 HydrophobicContact CE1-CG2 3.95Å; F133-V138 HydrophobicContact CZ-CB 4.29Å; F133-V138 HydrophobicContact CZ-CG2 4.02Å |
| 134 | E | 48.5 | Very low | 46.3 | Very low | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -0.5 | -179.6 | -70.6 | -169.9 | 147 | 0 | 0 | 115.3 | I132 | I132-E134 VanDerWaalsContact C-N 3.3Å; I132-E134 PolarHBondContact O-N 3.14Å |
| 135 | G | 44.5 | Very low | 46.3 | Very low | 74 Ų | 74 | 97.4 Ų | 97.4 | 76% | 0.763 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -166.2 | 3.3 | -175 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 136 | A | 41.4 | Very low | 46.4 | Very low | 63 Ų | 63 | 99.3 Ų | 99.3 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | | | trans | -129.1 | 131.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V138 | A136-V138 PolarHBondContact O-N 3.27Š|
| 137 | P | 39.2 | Very low | 46 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | | | trans | -70.4 | 92.8 | 171.6 | 27.5 | -32.2 | 0 | 0 | 0 | 110.7 | Q139 T150 | P137-Q139 PolarHBondContact O-N 2.9Å; P137-T150 HydrophobicContact CB-CG2 3.59Å |
| 138 | V | 49.7 | Very low | 45.9 | Very low | 31 Ų | 31 | 96.7 Ų | 96.7 | 19% | 0.188 | 55% | 0.549 | C | S | . | . | | | trans | -73 | 126.5 | 176.1 | -174 | 0 | 0 | 0 | 0 | 109.9 | L128 F133 A136 T140 | L128-V138 HydrophobicContact CD1-CG1 3.86Å; L128-V138 HydrophobicContact CD2-CG1 4.12Å; F133-V138 HydrophobicContact CE1-CB 4.26Å; F133-V138 HydrophobicContact CE1-CG2 3.95Å; F133-V138 HydrophobicContact CZ-CB 4.29Å; F133-V138 HydrophobicContact CZ-CG2 4.02Å; A136-V138 PolarHBondContact O-N 3.27Å; V138-T140 HydrophobicContact CG1-CG2 4Å; V138-T140 PolarHBondContact O-N 2.92Å |
| 139 | Q | 44.3 | Very low | 45.7 | Very low | 133 Ų | 133 | 94.2 Ų | 94.2 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 113.2 | 170.2 | -67.3 | -139.1 | 93.9 | 0 | 0 | 109.6 | P137 T150 | P137-Q139 PolarHBondContact O-N 2.9Å; Q139-T150 PolarHBondContact OE1-OG1 3.32Å |
| 140 | T | 51.8 | Low | 46 | Very low | 53 Ų | 53 | 89.4 Ų | 89.4 | 33% | 0.325 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 147.1 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | L128 V138 I149 | L128-T140 HydrophobicContact CD1-CG2 4.48Å; V138-T140 HydrophobicContact CG1-CG2 4Å; V138-T140 PolarHBondContact O-N 2.92Å; T140-I149 PolarHBondContact N-O 3.18Å; T140-I149 PolarHBondContact O-N 3.29Å; T140-I149 VanDerWaalsContact O-O 3.12Å |
| 141 | V | 51.1 | Low | 45.9 | Very low | 94 Ų | 94 | 87.7 Ų | 87.7 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.5 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | P143 A148 | V141-P143 WeakPolarHBondContact O-CD 3.42Å; V141-A148 HydrophobicContact CG2-CB 4.32Å |
| 142 | C | 49.1 | Very low | 45.6 | Very low | 9 Ų | 9 | 86.8 Ų | 86.8 | 6% | 0.061 | 49% | 0.488 | C | S | . | . | | | trans | -67.1 | 119 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | H144 C145 Q146 Q147 I149 | C142-H144 PolarHBondContact O-N 3.35Å; C142-H144 VanDerWaalsContact O-N 3.14Å; C142-C145 HydrophobicContact CB-CB 4.33Å; C142-C145 PolarHBondContact O-N 3.37Å; C142-C145 VanDerWaalsContact O-N 3.16Å; C142-Q146 WeakPolarHBondContact O-CA 3.35Å; C142-Q146 PolarHBondContact O-N 3.01Å; C142-Q147 PolarHBondContact N-O 2.03Å; C142-Q147 VanDerWaalsContact N-O 3.12Å; C142-I149 HydrophobicContact CB-CD1 4.06Å |
| 143 | P | 49.3 | Very low | 45.6 | Very low | 103 Ų | 103 | 84.4 Ų | 84.4 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.8 | -177.7 | 26.5 | -34.9 | 0 | 0 | 0 | 112.6 | V141 | V141-P143 WeakPolarHBondContact O-CD 3.42Š|
| 144 | H | 41 | Very low | 45 | Very low | 140 Ų | 140 | 84 Ų | 84 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20 | -179.5 | -125.7 | -65.1 | 0 | 0 | 0 | 114.2 | C142 | C142-H144 PolarHBondContact O-N 3.35Å; C142-H144 VanDerWaalsContact O-N 3.14Å |
| 145 | C | 43.5 | Very low | 44.7 | Very low | 46 Ų | 46 | 83.1 Ų | 83.1 | 31% | 0.311 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -4.1 | -168.8 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | C142 Q147 C197 | C142-C145 HydrophobicContact CB-CB 4.33Å; C142-C145 PolarHBondContact O-N 3.37Å; C142-C145 VanDerWaalsContact O-N 3.16Å; C145-Q147 PolarHBondContact O-N 3.32Å; C145-C197 WeakPolarHBondContact CB-SG 3.45Å; C145-C197 WeakPolarHBondContact SG-CB 3.46Å; C145-C197 CovalentContact SG-SG 2.03Å; C145-C197 PolarHBondContact SG-SG 3.23Å |
| 146 | Q | 52 | Low | 44.6 | Very low | 166 Ų | 166 | 87.6 Ų | 87.6 | 78% | 0.776 | 48% | 0.475 | S | S | * | . | | | trans | 51.4 | 10.4 | 176 | -62.3 | -179.7 | 33 | 0 | 0 | 117 | C142 | C142-Q146 WeakPolarHBondContact O-CA 3.35Å; C142-Q146 PolarHBondContact O-N 3.01Å |
| 147 | Q | 40.7 | Very low | 44.9 | Very low | 115 Ų | 115 | 90.4 Ų | 90.4 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | | | trans | -88.1 | 140.1 | 170.4 | -74.2 | 177.5 | -32.1 | 0 | 0 | 110.8 | C142 C145 I149 | C142-Q147 PolarHBondContact N-O 2.03Å; C142-Q147 VanDerWaalsContact N-O 3.12Å; C145-Q147 PolarHBondContact O-N 3.32Å; Q147-I149 HydrophobicContact CB-CD1 4.21Å; Q147-I149 HydrophobicContact CB-CG1 4.05Å; Q147-I149 PolarHBondContact O-N 3.46Å |
| 148 | A | 45.3 | Very low | 45.4 | Very low | 65 Ų | 65 | 87.5 Ų | 87.5 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 117.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | V141 | V141-A148 HydrophobicContact CG2-CB 4.32Å |
| 149 | I | 47.2 | Very low | 45.5 | Very low | 16 Ų | 16 | 92.2 Ų | 92.2 | 8% | 0.082 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.5 | -175.5 | -65.5 | 169.4 | 0 | 0 | 0 | 108.2 | T140 C142 Q147 T151 P195 S196 | T140-I149 PolarHBondContact N-O 3.18Å; T140-I149 PolarHBondContact O-N 3.29Å; T140-I149 VanDerWaalsContact O-O 3.12Å; C142-I149 HydrophobicContact CB-CD1 4.06Å; Q147-I149 HydrophobicContact CB-CD1 4.21Å; Q147-I149 HydrophobicContact CB-CG1 4.05Å; Q147-I149 PolarHBondContact O-N 3.46Å; I149-T151 PolarHBondContact O-N 3.14Å; I149-P195 HydrophobicContact CG2-CG 3.62Å; I149-S196 WeakPolarHBondContact CD1-OG 3.08Å |
| 150 | T | 45.1 | Very low | 45.9 | Very low | 61 Ų | 61 | 93 Ų | 93 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 111 | 162.2 | -62.4 | 0 | 0 | 0 | 0 | 108.6 | P137 Q139 K152 | P137-T150 HydrophobicContact CB-CG2 3.59Å; Q139-T150 PolarHBondContact OE1-OG1 3.32Å; T150-K152 PolarHBondContact O-N 3.02Å |
| 151 | T | 44.3 | Very low | 46.1 | Very low | 28 Ų | 28 | 93 Ų | 93 | 17% | 0.172 | 50% | 0.495 | C | S | . | . | | | trans | -66.1 | 122.2 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | I149 | I149-T151 PolarHBondContact O-N 3.14Š|
| 152 | K | 36.9 | Very low | 46.5 | Very low | 156 Ų | 156 | 95.2 Ų | 95.2 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | | | trans | -80.5 | 123.8 | 168.5 | -77 | -168.5 | 172.4 | -177.3 | 0 | 109 | T150 S154 | T150-K152 PolarHBondContact O-N 3.02Å; K152-S154 PolarHBondContact O-N 2.95Å |
| 153 | I | 42.7 | Very low | 47.1 | Very low | 74 Ų | 74 | 98.7 Ų | 98.7 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | | | trans | -77.6 | 100.8 | 174.3 | -54.2 | 171.3 | 0 | 0 | 0 | 107.4 | Y155 V190 | I153-Y155 HydrophobicContact CB-CE2 4.13Å; I153-Y155 HydrophobicContact CG2-CD1 4.27Å; I153-Y155 HydrophobicContact CG2-CD2 3.89Å; I153-Y155 HydrophobicContact CG2-CE1 3.9Å; I153-Y155 HydrophobicContact CG2-CE2 3.47Å; I153-Y155 VanDerWaalsContact CG2-CE2 3.47Å; I153-Y155 HydrophobicContact CG2-CG 4.27Å; I153-Y155 VanDerWaalsContact CG2-CZ 3.48Å; I153-V190 HydrophobicContact CG2-CG1 4Å |
| 154 | S | 37.8 | Very low | 47.6 | Very low | 74 Ų | 74 | 97.2 Ų | 97.2 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | | | trans | -91.3 | 98.9 | 170.3 | -71.7 | 0 | 0 | 0 | 0 | 108.8 | K152 E156 | K152-S154 PolarHBondContact O-N 2.95Å; S154-E156 PolarHBondContact O-N 3.49Å; S154-E156 VanDerWaalsContact O-N 3.08Å |
| 155 | Y | 42.6 | Very low | 48.7 | Very low | 144 Ų | 144 | 92.2 Ų | 92.2 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | | | trans | -71.3 | 97.4 | 171.8 | -61.6 | -87.5 | 0 | 0 | 0 | 109.7 | I153 I157 | I153-Y155 HydrophobicContact CB-CE2 4.13Å; I153-Y155 HydrophobicContact CG2-CD1 4.27Å; I153-Y155 HydrophobicContact CG2-CD2 3.89Å; I153-Y155 HydrophobicContact CG2-CE1 3.9Å; I153-Y155 HydrophobicContact CG2-CE2 3.47Å; I153-Y155 VanDerWaalsContact CG2-CE2 3.47Å; I153-Y155 HydrophobicContact CG2-CG 4.27Å; I153-Y155 VanDerWaalsContact CG2-CZ 3.48Å; Y155-I157 PolarHBondContact O-N 3.39Å |
| 156 | E | 41.2 | Very low | 49.7 | Very low | 168 Ų | 168 | 95.9 Ų | 95.9 | 79% | 0.785 | 50% | 0.501 | S | S | * | . | | | trans | -68.8 | 122.8 | 165 | -73.6 | -140.5 | 149.8 | 0 | 0 | 109.5 | S154 G158 | S154-E156 PolarHBondContact O-N 3.49Å; S154-E156 VanDerWaalsContact O-N 3.08Å; E156-G158 PolarHBondContact O-N 2.84Å |
| 157 | I | 48.5 | Very low | 50.2 | Low | 123 Ų | 123 | 93.9 Ų | 93.9 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | | | trans | -79.6 | 78.7 | 177 | -55 | 176.8 | 0 | 0 | 0 | 107.6 | Y155 N161 | Y155-I157 PolarHBondContact O-N 3.39Å; I157-N161 HydrophobicContact CG2-CB 3.87Å |
| 158 | G | 48.9 | Very low | 51.3 | Low | 39 Ų | 39 | 89.4 Ų | 89.4 | 40% | 0.402 | 47% | 0.471 | S | S | . | . | | | trans | -57.8 | 152 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E156 M160 N161 | E156-G158 PolarHBondContact O-N 2.84Å; G158-M160 PolarHBondContact O-N 2.96Å; G158-N161 WeakPolarHBondContact O-CB 3.48Å; G158-N161 PolarHBondContact O-N 3.31Å |
| 159 | L | 52.1 | Low | 52.1 | Low | 129 Ų | 129 | 90.8 Ų | 90.8 | 68% | 0.675 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -50.4 | -29.9 | -176.3 | -177.8 | 138.8 | 0 | 0 | 0 | 113.7 | N161 F162 V163 | L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 3.07Å; L159-F162 WeakPolarHBondContact O-CA 3.39Å; L159-F162 WeakPolarHBondContact O-CB 3.09Å; L159-F162 PolarHBondContact O-N 3.42Å; L159-V163 HydrophobicContact CD2-CG2 3.7Å; L159-V163 HydrophobicContact CG-CG2 4.44Å; L159-V163 PolarHBondContact O-N 2.88Å |
| 160 | M | 52.9 | Low | 52.9 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 74% | 0.739 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.5 | -33.5 | 175.1 | -58.3 | -53.1 | 176.8 | 0 | 0 | 113.6 | G158 F162 V163 L164 | G158-M160 PolarHBondContact O-N 2.96Å; M160-F162 VanDerWaalsContact C-N 3.32Å; M160-V163 PolarHBondContact O-N 3.43Å; M160-L164 VanDerWaalsContact O-CB 3.26Å; M160-L164 WeakPolarHBondContact O-CB 3.46Å; M160-L164 PolarHBondContact O-N 3.03Å |
| 161 | N | 55.5 | Low | 53.7 | Low | 53 Ų | 53 | 102.1 Ų | 102.1 | 28% | 0.283 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 175.6 | -165.6 | 94.5 | 0 | 0 | 0 | 112 | I157 G158 L159 G165 N185 K188 | I157-N161 HydrophobicContact CG2-CB 3.87Å; G158-N161 WeakPolarHBondContact O-CB 3.48Å; G158-N161 PolarHBondContact O-N 3.31Å; L159-N161 VanDerWaalsContact C-N 3.26Å; L159-N161 PolarHBondContact O-N 3.07Å; N161-G165 PolarHBondContact O-N 3.33Å; N161-N185 PolarHBondContact OD1-OD1 2.85Å; N161-K188 VanDerWaalsContact CG-NZ 3.27Å; N161-K188 PolarHBondContact OD1-NZ 3.22Å |
| 162 | F | 60.5 | Low | 54.5 | Low | 141 Ų | 141 | 102.9 Ų | 102.9 | 62% | 0.618 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.3 | -42.3 | 176.7 | -148.3 | -97.9 | 0 | 0 | 0 | 110.4 | L159 M160 G165 F166 | L159-F162 WeakPolarHBondContact O-CA 3.39Å; L159-F162 WeakPolarHBondContact O-CB 3.09Å; L159-F162 PolarHBondContact O-N 3.42Å; M160-F162 VanDerWaalsContact C-N 3.32Å; F162-G165 PolarHBondContact O-N 3.08Å; F162-F166 AromaticContact CD1-CD2 3.85Å; F162-F166 HydrophobicContact CD1-CD2 3.85Å; F162-F166 AromaticContact CD1-CE2 3.91Å; F162-F166 HydrophobicContact CD1-CE2 3.91Å; F162-F166 AromaticContact CE1-CD2 3.83Å; F162-F166 HydrophobicContact CE1-CD2 3.83Å; F162-F166 AromaticContact CE1-CE2 3.38Å; F162-F166 HydrophobicContact CE1-CE2 3.38Å; F162-F166 HydrophobicContact CE1-CZ 4.4Å; F162-F166 HydrophobicContact CZ-CE2 4.03Å; F162-F166 WeakPolarHBondContact O-CB 3.11Å; F162-F166 PolarHBondContact O-N 3.37Å |
| 163 | V | 60.3 | Low | 55.3 | Low | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 173 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | L159 M160 F166 F167 | L159-V163 HydrophobicContact CD2-CG2 3.7Å; L159-V163 HydrophobicContact CG-CG2 4.44Å; L159-V163 PolarHBondContact O-N 2.88Å; M160-V163 PolarHBondContact O-N 3.43Å; V163-F166 PolarHBondContact O-N 3.22Å; V163-F167 VanDerWaalsContact O-CB 3.28Å; V163-F167 WeakPolarHBondContact O-CB 3.09Å; V163-F167 PolarHBondContact O-N 3.32Å |
| 164 | L | 61.3 | Low | 56 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 38% | 0.377 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -40.4 | 177.2 | -175.6 | 62.6 | 0 | 0 | 0 | 111.9 | M160 F167 C168 P181 | M160-L164 VanDerWaalsContact O-CB 3.26Å; M160-L164 WeakPolarHBondContact O-CB 3.46Å; M160-L164 PolarHBondContact O-N 3.03Å; L164-F167 PolarHBondContact O-N 3.02Å; L164-C168 WeakPolarHBondContact O-CB 3.41Å; L164-C168 PolarHBondContact O-N 3.16Å; L164-P181 HydrophobicContact CD2-CB 4.48Å |
| 165 | G | 62.8 | Low | 56.6 | Low | 36 Ų | 36 | 107.8 Ų | 107.8 | 37% | 0.371 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N161 F162 C168 C169 | N161-G165 PolarHBondContact O-N 3.33Å; F162-G165 PolarHBondContact O-N 3.08Å; G165-C168 PolarHBondContact O-N 3.37Å; G165-C169 PolarHBondContact O-N 3.21Å |
| 166 | F | 64.2 | Low | 57.2 | Low | 123 Ų | 123 | 103.3 Ų | 103.3 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.2 | -43.2 | 174.9 | -101.5 | -96.3 | 0 | 0 | 0 | 112.4 | F162 V163 C169 F170 | F162-F166 AromaticContact CD1-CD2 3.85Å; F162-F166 HydrophobicContact CD1-CD2 3.85Å; F162-F166 AromaticContact CD1-CE2 3.91Å; F162-F166 HydrophobicContact CD1-CE2 3.91Å; F162-F166 AromaticContact CE1-CD2 3.83Å; F162-F166 HydrophobicContact CE1-CD2 3.83Å; F162-F166 AromaticContact CE1-CE2 3.38Å; F162-F166 HydrophobicContact CE1-CE2 3.38Å; F162-F166 HydrophobicContact CE1-CZ 4.4Å; F162-F166 HydrophobicContact CZ-CE2 4.03Å; F162-F166 WeakPolarHBondContact O-CB 3.11Å; F162-F166 PolarHBondContact O-N 3.37Å; V163-F166 PolarHBondContact O-N 3.22Å; F166-C169 PolarHBondContact O-N 3.29Å; F166-F170 PolarHBondContact O-N 3.39Å |
| 167 | F | 63.8 | Low | 57.7 | Low | 123 Ų | 123 | 97.7 Ų | 97.7 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178 | -174.2 | -101.4 | 0 | 0 | 0 | 111.8 | V163 L164 F170 M171 | V163-F167 VanDerWaalsContact O-CB 3.28Å; V163-F167 WeakPolarHBondContact O-CB 3.09Å; V163-F167 PolarHBondContact O-N 3.32Å; L164-F167 PolarHBondContact O-N 3.02Å; F167-F170 PolarHBondContact O-N 3.19Å; F167-M171 HydrophobicContact CD1-CG 4.43Å; F167-M171 HydrophobicContact CE1-CG 4.05Å; F167-M171 HydrophobicContact CE2-CE 3.85Å; F167-M171 HydrophobicContact CE2-CG 4.21Å; F167-M171 HydrophobicContact CZ-CE 3.88Å; F167-M171 HydrophobicContact CZ-CG 3.94Å; F167-M171 WeakPolarHBondContact O-CB 3.39Å; F167-M171 PolarHBondContact O-N 3.26Å |
| 168 | C | 63.8 | Low | 57.6 | Low | 21 Ų | 21 | 94.2 Ų | 94.2 | 14% | 0.142 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | L164 G165 F170 M171 P181 | L164-C168 WeakPolarHBondContact O-CB 3.41Å; L164-C168 PolarHBondContact O-N 3.16Å; G165-C168 PolarHBondContact O-N 3.37Å; C168-F170 VanDerWaalsContact C-N 3.31Å; C168-F170 PolarHBondContact O-N 3.23Å; C168-M171 PolarHBondContact O-N 3.49Å; C168-P181 HydrophobicContact CB-CG 4.39Å |
| 169 | C | 60.9 | Low | 57.5 | Low | 95 Ų | 95 | 98.6 Ų | 98.6 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -33.7 | 173.8 | -81.1 | 0 | 0 | 0 | 0 | 112.8 | G165 F166 | G165-C169 PolarHBondContact O-N 3.21Å; F166-C169 PolarHBondContact O-N 3.29Å |
| 170 | F | 63.8 | Low | 57.5 | Low | 175 Ų | 175 | 98 Ų | 98 | 77% | 0.768 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -78.1 | -26.1 | 179.5 | -108.6 | -91.2 | 0 | 0 | 0 | 114.2 | F166 F167 C168 G172 | F166-F170 PolarHBondContact O-N 3.39Å; F167-F170 PolarHBondContact O-N 3.19Å; C168-F170 VanDerWaalsContact C-N 3.31Å; C168-F170 PolarHBondContact O-N 3.23Å; F170-G172 VanDerWaalsContact C-N 3.35Å; F170-G172 PolarHBondContact O-N 3.23Å |
| 171 | M | 63.4 | Low | 57.3 | Low | 139 Ų | 139 | 92.4 Ų | 92.4 | 69% | 0.685 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 13.9 | -173.1 | -79.9 | -69.6 | 174.6 | 0 | 0 | 115.4 | F167 C168 | F167-M171 HydrophobicContact CD1-CG 4.43Å; F167-M171 HydrophobicContact CE1-CG 4.05Å; F167-M171 HydrophobicContact CE2-CE 3.85Å; F167-M171 HydrophobicContact CE2-CG 4.21Å; F167-M171 HydrophobicContact CZ-CE 3.88Å; F167-M171 HydrophobicContact CZ-CG 3.94Å; F167-M171 WeakPolarHBondContact O-CB 3.39Å; F167-M171 PolarHBondContact O-N 3.26Å; C168-M171 PolarHBondContact O-N 3.49Å |
| 172 | G | 59.8 | Low | 56.9 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | | | trans | 100.7 | 117 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F170 C177 | F170-G172 VanDerWaalsContact C-N 3.35Å; F170-G172 PolarHBondContact O-N 3.23Å; G172-C177 PolarHBondContact O-SG 3.29Å |
| 173 | C | 55.3 | Low | 56.1 | Low | 78 Ų | 78 | 93.2 Ų | 93.2 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | | | trans | -124.9 | 72.8 | -169.6 | -169 | 0 | 0 | 0 | 0 | 111.1 | C178 | C173-C178 PolarHBondContact SG-SG 2.74Š|
| 174 | D | 56.8 | Low | 55.4 | Low | 153 Ų | 153 | 93.6 Ų | 93.6 | 82% | 0.818 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -122 | -23.7 | -178 | -80 | -77.6 | 0 | 0 | 0 | 115 | | |
| 175 | L | 50.3 | Low | 54.6 | Low | 176 Ų | 176 | 92.8 Ų | 92.8 | 92% | 0.921 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -149.5 | 42.8 | -173.6 | -135.9 | 74.6 | 0 | 0 | 0 | 116.1 | | |
| 176 | G | 54.8 | Low | 53.6 | Low | 51 Ų | 51 | 95.2 Ų | 95.2 | 53% | 0.526 | 53% | 0.532 | S | S | . | . | S | Bend | trans | 100.6 | 8 | 164 | 0 | 0 | 0 | 0 | 0 | 117.6 | C178 L179 | G176-C178 PolarHBondContact O-N 3.42Å; G176-L179 PolarHBondContact O-N 3.49Å |
| 177 | C | 51.3 | Low | 52.5 | Low | 50 Ų | 50 | 96.3 Ų | 96.3 | 34% | 0.338 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -57.2 | -29 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | G172 L179 I180 P181 | G172-C177 PolarHBondContact O-SG 3.29Å; C177-L179 PolarHBondContact O-N 2.76Å; C177-I180 PolarHBondContact O-N 2.91Å; C177-P181 WeakPolarHBondContact O-CD 3.19Å |
| 178 | C | 47.3 | Very low | 51.4 | Low | 50 Ų | 50 | 92.7 Ų | 92.7 | 34% | 0.338 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -68 | -12.9 | -178.9 | -64.7 | 0 | 0 | 0 | 0 | 115.2 | C173 G176 C182 | C173-C178 PolarHBondContact SG-SG 2.74Å; G176-C178 PolarHBondContact O-N 3.42Å; C178-C182 PolarHBondContact O-SG 3.28Å |
| 179 | L | 47.3 | Very low | 50.3 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 69% | 0.686 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -80.6 | -20.2 | 178.3 | -68.9 | 172.2 | 0 | 0 | 0 | 113.3 | G176 C177 | G176-L179 PolarHBondContact O-N 3.49Å; C177-L179 PolarHBondContact O-N 2.76Å |
| 180 | I | 52 | Low | 49.4 | Very low | 117 Ų | 117 | 94.2 Ų | 94.2 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79.2 | -43.5 | -178.1 | -58.2 | 174.1 | 0 | 0 | 0 | 112.1 | C177 C182 L183 I184 | C177-I180 PolarHBondContact O-N 2.91Å; I180-C182 PolarHBondContact O-N 3.06Å; I180-L183 PolarHBondContact O-N 2.97Å; I180-L183 VanDerWaalsContact O-N 3.07Å; I180-I184 HydrophobicContact CG2-CD1 4.29Å; I180-I184 PolarHBondContact O-N 2.9Å |
| 181 | P | 47.8 | Very low | 48.3 | Very low | 31 Ų | 31 | 87.8 Ų | 87.8 | 20% | 0.201 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -62.1 | -21.9 | 172.5 | -24.1 | 35 | 0 | 0 | 0 | 113.8 | L164 C168 C177 I184 N185 | L164-P181 HydrophobicContact CD2-CB 4.48Å; C168-P181 HydrophobicContact CB-CG 4.39Å; C177-P181 WeakPolarHBondContact O-CD 3.19Å; P181-I184 PolarHBondContact O-N 3.45Å; P181-N185 PolarHBondContact O-ND2 3.4Å |
| 182 | C | 47.3 | Very low | 47.4 | Very low | 78 Ų | 78 | 85 Ų | 85 | 53% | 0.527 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 172.4 | -70.6 | 0 | 0 | 0 | 0 | 112.4 | C178 I180 I184 N185 | C178-C182 PolarHBondContact O-SG 3.28Å; I180-C182 PolarHBondContact O-N 3.06Å; C182-I184 VanDerWaalsContact C-N 3.31Å; C182-N185 PolarHBondContact O-ND2 2.98Å |
| 183 | L | 44.1 | Very low | 46.6 | Very low | 133 Ų | 133 | 85.5 Ų | 85.5 | 70% | 0.696 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.4 | -13.3 | 173.5 | -101.3 | 72.5 | 0 | 0 | 0 | 113.8 | I180 N185 | I180-L183 PolarHBondContact O-N 2.97Å; I180-L183 VanDerWaalsContact O-N 3.07Å; L183-N185 PolarHBondContact O-N 3.47Å |
| 184 | I | 45.4 | Very low | 45.7 | Very low | 90 Ų | 90 | 82.3 Ų | 82.3 | 46% | 0.462 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -82.4 | 0.4 | 176 | -73 | 167.9 | 0 | 0 | 0 | 111.8 | I180 P181 C182 D186 F187 | I180-I184 HydrophobicContact CG2-CD1 4.29Å; I180-I184 PolarHBondContact O-N 2.9Å; P181-I184 PolarHBondContact O-N 3.45Å; C182-I184 VanDerWaalsContact C-N 3.31Å; I184-D186 PolarHBondContact O-N 2.96Å; I184-F187 PolarHBondContact O-N 3.34Å |
| 185 | N | 43.9 | Very low | 45.2 | Very low | 55 Ų | 55 | 78.5 Ų | 78.5 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -65.2 | -16 | 170.8 | -75.5 | -82 | 0 | 0 | 0 | 113.3 | N161 P181 C182 L183 F187 K188 | N161-N185 PolarHBondContact OD1-OD1 2.85Å; P181-N185 PolarHBondContact O-ND2 3.4Å; C182-N185 PolarHBondContact O-ND2 2.98Å; L183-N185 PolarHBondContact O-N 3.47Å; N185-F187 PolarHBondContact O-N 3Å; N185-K188 WeakPolarHBondContact O-CB 3.32Å; N185-K188 PolarHBondContact O-N 2.9Å; N185-K188 WeakPolarHBondContact OD1-CD 3.26Å; N185-K188 PolarHBondContact OD1-NZ 3.47Å |
| 186 | D | 41.4 | Very low | 44.5 | Very low | 87 Ų | 87 | 73.6 Ų | 73.6 | 47% | 0.465 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -74.5 | -3.8 | 175.4 | -58.8 | -58.9 | 0 | 0 | 0 | 113.8 | I184 | I184-D186 PolarHBondContact O-N 2.96Š|
| 187 | F | 41.1 | Very low | 43.6 | Very low | 145 Ų | 145 | 73 Ų | 73 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -104.2 | 9.6 | 165.6 | -77.8 | -85.5 | 0 | 0 | 0 | 114 | I184 N185 | I184-F187 PolarHBondContact O-N 3.34Å; N185-F187 PolarHBondContact O-N 3Å |
| 188 | K | 42.3 | Very low | 43.3 | Very low | 48 Ų | 48 | 79.6 Ų | 79.6 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -84.4 | 120.7 | 178 | -159.6 | 168.2 | 177.5 | 178.1 | 0 | 109.3 | N161 N185 V190 | N161-K188 VanDerWaalsContact CG-NZ 3.27Å; N161-K188 PolarHBondContact OD1-NZ 3.22Å; N185-K188 WeakPolarHBondContact O-CB 3.32Å; N185-K188 PolarHBondContact O-N 2.9Å; N185-K188 WeakPolarHBondContact OD1-CD 3.26Å; N185-K188 PolarHBondContact OD1-NZ 3.47Å; K188-V190 WeakPolarHBondContact O-CG2 3.34Å; K188-V190 PolarHBondContact O-N 3.27Å |
| 189 | D | 40.9 | Very low | 43 | Very low | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 43% | 0.426 | S | S | . | . | | | trans | -49.9 | 112.7 | -173.8 | -76.6 | -29.7 | 0 | 0 | 0 | 112.2 | T191 Y204 | D189-T191 PolarHBondContact O-N 2.89Å; D189-T191 VanDerWaalsContact O-N 3.16Å; D189-Y204 VanDerWaalsContact OD1-O 3.12Å |
| 190 | V | 41.1 | Very low | 42.8 | Very low | 69 Ų | 69 | 79.6 Ų | 79.6 | 42% | 0.418 | 42% | 0.422 | S | S | . | . | | | trans | -83.3 | 91.3 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | I153 K188 H192 | I153-V190 HydrophobicContact CG2-CG1 4Å; K188-V190 WeakPolarHBondContact O-CG2 3.34Å; K188-V190 PolarHBondContact O-N 3.27Å; V190-H192 WeakPolarHBondContact CG1-NE2 3.46Å; V190-H192 PolarHBondContact O-CD2 3.44Å; V190-H192 PolarHBondContact O-N 3.05Å |
| 191 | T | 41.7 | Very low | 42.7 | Very low | 40 Ų | 40 | 78 Ų | 78 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | | | trans | -77.3 | 87.2 | 175.9 | -12.5 | 0 | 0 | 0 | 0 | 111.1 | D189 T193 Y200 | D189-T191 PolarHBondContact O-N 2.89Å; D189-T191 VanDerWaalsContact O-N 3.16Å; T191-T193 PolarHBondContact O-N 2.97Å; T191-T193 PolarHBondContact O-OG1 3.02Å; T191-Y200 HydrophobicContact CG2-CE2 4.04Å |
| 192 | H | 44.3 | Very low | 42.5 | Very low | 79 Ų | 79 | 85 Ų | 85 | 37% | 0.366 | 44% | 0.437 | S | S | . | . | | | trans | -60.1 | 104.3 | 174.3 | -66.8 | -89.8 | 0 | 0 | 0 | 111 | V190 | V190-H192 WeakPolarHBondContact CG1-NE2 3.46Å; V190-H192 PolarHBondContact O-CD2 3.44Å; V190-H192 PolarHBondContact O-N 3.05Å |
| 193 | T | 41.2 | Very low | 42.1 | Very low | 56 Ų | 56 | 84.4 Ų | 84.4 | 34% | 0.344 | 43% | 0.432 | S | S | . | . | | | trans | -105.4 | 128.9 | -178.4 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | T191 P195 | T191-T193 PolarHBondContact O-N 2.97Å; T191-T193 PolarHBondContact O-OG1 3.02Å; T193-P195 WeakPolarHBondContact O-CD 3.48Å |
| 194 | C | 38.4 | Very low | 42 | Very low | 11 Ų | 11 | 85.7 Ų | 85.7 | 7% | 0.074 | 43% | 0.428 | C | S | . | . | | | trans | -79.3 | 118 | -177 | -176 | 0 | 0 | 0 | 0 | 112.1 | S196 C197 K198 | C194-S196 PolarHBondContact O-N 3.05Å; C194-C197 PolarHBondContact O-N 3.47Å; C194-C197 VanDerWaalsContact SG-SG 3.63Å; C194-K198 PolarHBondContact O-N 3.49Å |
| 195 | P | 44.3 | Very low | 41.7 | Very low | 72 Ų | 72 | 88.5 Ų | 88.5 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.5 | -173.7 | 25.8 | -35.6 | 0 | 0 | 0 | 114.7 | I149 T193 | I149-P195 HydrophobicContact CG2-CG 3.62Å; T193-P195 WeakPolarHBondContact O-CD 3.48Å |
| 196 | S | 35.9 | Very low | 41.6 | Very low | 73 Ų | 73 | 92.5 Ų | 92.5 | 51% | 0.51 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.1 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 113.4 | I149 C194 | I149-S196 WeakPolarHBondContact CD1-OG 3.08Å; C194-S196 PolarHBondContact O-N 3.05Å |
| 197 | C | 35.9 | Very low | 41.9 | Very low | 40 Ų | 40 | 95.6 Ų | 95.6 | 27% | 0.27 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -19.9 | -161 | -36.1 | 0 | 0 | 0 | 0 | 113.2 | C145 C194 A199 | C145-C197 WeakPolarHBondContact CB-SG 3.45Å; C145-C197 WeakPolarHBondContact SG-CB 3.46Å; C145-C197 CovalentContact SG-SG 2.03Å; C145-C197 PolarHBondContact SG-SG 3.23Å; C194-C197 PolarHBondContact O-N 3.47Å; C194-C197 VanDerWaalsContact SG-SG 3.63Å; C197-A199 HydrophobicContact CB-CB 4.33Å; C197-A199 PolarHBondContact O-N 2.98Å |
| 198 | K | 46.3 | Very low | 41.7 | Very low | 187 Ų | 187 | 98.3 Ų | 98.3 | 81% | 0.813 | 50% | 0.499 | S | S | * | . | | | trans | 51 | 8.5 | -171.4 | -65.1 | -177.7 | 178.4 | 177.7 | 0 | 115.2 | C194 Y200 | C194-K198 PolarHBondContact O-N 3.49Å; K198-Y200 PolarHBondContact O-N 3.34Å |
| 199 | A | 39.4 | Very low | 41.7 | Very low | 30 Ų | 30 | 100.9 Ų | 100.9 | 25% | 0.248 | 51% | 0.513 | C | S | . | . | | | trans | -69.7 | 129.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | C197 I201 | C197-A199 HydrophobicContact CB-CB 4.33Å; C197-A199 PolarHBondContact O-N 2.98Å; A199-I201 PolarHBondContact O-N 2.98Å |
| 200 | Y | 43.1 | Very low | 41.7 | Very low | 152 Ų | 152 | 102 Ų | 102 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | | | trans | -82 | 105.3 | 179.8 | -167.2 | -91.7 | 0 | 0 | 0 | 108.6 | T191 K198 T203 | T191-Y200 HydrophobicContact CG2-CE2 4.04Å; K198-Y200 PolarHBondContact O-N 3.34Å; Y200-T203 WeakPolarHBondContact CE1-OG1 3.28Å; Y200-T203 PolarHBondContact OH-OG1 3.41Å |
| 201 | I | 51.3 | Low | 41.8 | Very low | 83 Ų | 83 | 103.8 Ų | 103.8 | 43% | 0.426 | 52% | 0.524 | S | S | . | . | | | trans | -90.9 | -38.5 | -168.7 | -61.8 | -175.8 | 0 | 0 | 0 | 112.7 | A199 | A199-I201 PolarHBondContact O-N 2.98Š|
| 202 | Y | 42.7 | Very low | 41.8 | Very low | 177 Ų | 177 | 107.6 Ų | 107.6 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | | | trans | -162.3 | 143.9 | 175.9 | -145 | -106.9 | 0 | 0 | 0 | 113.4 | | |
| 203 | T | 39.8 | Very low | 41.6 | Very low | 66 Ų | 66 | 109.4 Ų | 109.4 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | | | trans | -102.4 | 108.5 | 161.7 | -32.3 | 0 | 0 | 0 | 0 | 108.1 | Y200 K205 | Y200-T203 WeakPolarHBondContact CE1-OG1 3.28Å; Y200-T203 PolarHBondContact OH-OG1 3.41Å; T203-K205 PolarHBondContact O-N 2.85Å |
| 204 | Y | 41.4 | Very low | 41.6 | Very low | 160 Ų | 160 | 112.9 Ų | 112.9 | 63% | 0.627 | 57% | 0.565 | S | S | * | * | | | trans | -81.9 | 101.2 | 164.9 | -170.4 | -102.8 | 0 | 0 | 0 | 108 | D189 R206 | D189-Y204 VanDerWaalsContact OD1-O 3.12Å; Y204-R206 HydrophobicContact CD1-CG 3.89Å; Y204-R206 HydrophobicContact CE1-CG 3.6Å; Y204-R206 PolarHBondContact O-N 2.97Å |
| 205 | K | 40 | Very low | 41.9 | Very low | 149 Ų | 149 | 120.2 Ų | 120.2 | 65% | 0.648 | 60% | 0.6 | S | S | * | * | | | trans | -79.7 | 113.8 | 169.7 | -95.4 | -173.1 | 168.8 | -176.9 | 0 | 108.9 | T203 L207 | T203-K205 PolarHBondContact O-N 2.85Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 HydrophobicContact CB-CG 4.37Å; K205-L207 PolarHBondContact O-N 3.47Å |
| 206 | R | 41.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | | | trans | -71.8 | 88.6 | 160 | -71.3 | -173.4 | -175.6 | -136 | 4.1 | 109.1 | Y204 C208 | Y204-R206 HydrophobicContact CD1-CG 3.89Å; Y204-R206 HydrophobicContact CE1-CG 3.6Å; Y204-R206 PolarHBondContact O-N 2.97Å; R206-C208 PolarHBondContact O-N 3.37Å |
| 207 | L | 46.9 | Very low | 42.2 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | | | trans | -74 | 102.9 | 167.6 | -72.8 | 162.5 | 0 | 0 | 0 | 108.8 | K205 | K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 HydrophobicContact CB-CG 4.37Å; K205-L207 PolarHBondContact O-N 3.47Å |
| 208 | C | 37.4 | Very low | 42.7 | Very low | 203 Ų | 203 | 136.2 Ų | 136.2 | 100% | 1.372 | 65% | 0.65 | S | S | * | * | | | trans | -135.6 | 0 | 159.9 | -71.9 | 0 | 0 | 0 | 0 | 107.2 | R206 | R206-C208 PolarHBondContact O-N 3.37Š|