| 1 | M | 44.1 | Very low | 44.6 | Very low | 228 Ų | 228 | 133.3 Ų | 133.3 | 100% | 1.123 | 86% | 0.862 | S | S | * | * | | | | 0 | 75.4 | 0 | 46.4 | 177.1 | 85.1 | 0 | 0 | 106.8 | | |
| 2 | S | 39.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 85% | 0.85 | S | S | * | * | | | | 79.7 | 123.9 | 80 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | S | 43.3 | Very low | 44.3 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 76% | 0.755 | 85% | 0.846 | S | S | * | * | | | trans | 77.9 | 137 | 146.6 | -66.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 4 | L | 46.7 | Very low | 44.6 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | | | cis | -168.9 | 158.8 | 7 | -91.4 | 151.1 | 0 | 0 | 0 | 107.7 | | |
| 5 | G | 38.9 | Very low | 44.7 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 84% | 0.843 | S | S | * | * | | | trans | 144.7 | 109.4 | 142 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 6 | G | 41.8 | Very low | 45 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 92% | 0.918 | 84% | 0.844 | S | S | * | * | | | trans | 98.6 | 122.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 7 | G | 41.7 | Very low | 45 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | cis | 163.6 | 111.6 | 6.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 8 | S | 47.9 | Very low | 44.9 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | | | trans | -75.7 | 139.1 | 173.4 | -55.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 9 | Q | 54.3 | Low | 44.9 | Very low | 192 Ų | 192 | 124.2 Ų | 124.2 | 90% | 0.897 | 83% | 0.833 | S | S | * | * | | | trans | -155.8 | 133.5 | 150.8 | -112.7 | 166.2 | 83.3 | 0 | 0 | 111.8 | | |
| 10 | D | 42.1 | Very low | 44.6 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 83% | 0.834 | S | S | * | * | | | trans | -72.9 | 145.1 | -168.4 | -51.9 | -84.5 | 0 | 0 | 0 | 113.1 | | |
| 11 | T | 50.6 | Low | 44.3 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | | | trans | -120 | 101 | 158.1 | 56.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 12 | G | 42.1 | Very low | 44.3 | Very low | 70 Ų | 70 | 118.2 Ų | 118.2 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -65.5 | 157.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 13 | G | 43.1 | Very low | 44.4 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -66.9 | 157.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 14 | S | 48 | Very low | 44.2 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -136 | 103.6 | 167.1 | -67 | 0 | 0 | 0 | 0 | 108.4 | | |
| 15 | S | 46.9 | Very low | 43.9 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -80.5 | 122.6 | 166.4 | -51.6 | 0 | 0 | 0 | 0 | 108 | | |
| 16 | S | 48.6 | Very low | 43.7 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -107.5 | 86.9 | 175 | -53.6 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | S | 45.4 | Very low | 43.5 | Very low | 101 Ų | 101 | 118.4 Ų | 118.4 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | trans | -95 | 123.2 | 157.6 | 47.8 | 0 | 0 | 0 | 0 | 108 | | |
| 18 | N | 43.8 | Very low | 43.4 | Very low | 171 Ų | 171 | 119.9 Ų | 119.9 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | | | trans | -131.3 | 124.2 | 164.7 | -110.5 | 4.8 | 0 | 0 | 0 | 111 | | |
| 19 | T | 43.5 | Very low | 42.9 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -99.6 | 149.4 | 175.5 | 43.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 20 | N | 40.2 | Very low | 42.8 | Very low | 158 Ų | 158 | 114.1 Ų | 114.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | 64.6 | 119.4 | 145.9 | -63.3 | -8.6 | 0 | 0 | 0 | 122 | | |
| 21 | A | 38.1 | Very low | 42.6 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | | -163 | 123 | 123.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 22 | S | 44.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | cis | 65.6 | 91.6 | 49.3 | 71.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 23 | D | 41.8 | Very low | 41.6 | Very low | 176 Ų | 176 | 114.9 Ų | 114.9 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | | | trans | -167.4 | 132.3 | 147.4 | -80.3 | -42.9 | 0 | 0 | 0 | 105.3 | | |
| 24 | G | 39.3 | Very low | 41.5 | Very low | 64 Ų | 64 | 116.2 Ų | 116.2 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | cis | 123.5 | 117.3 | 17.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 25 | S | 39.4 | Very low | 41 | Very low | 138 Ų | 138 | 115.8 Ų | 115.8 | 97% | 0.965 | 80% | 0.804 | S | S | * | * | | | trans | 87.5 | 133.1 | 168.4 | -30 | 0 | 0 | 0 | 0 | 116.7 | | |
| 26 | G | 34.7 | Very low | 40.7 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | cis | 158.8 | 150.8 | 2.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 27 | S | 38.5 | Very low | 40.3 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 70.7 | 137.8 | 162.9 | 79.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 28 | S | 39.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | cis | -162.4 | 144.6 | 22.7 | -42.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 29 | G | 35.9 | Very low | 39.8 | Very low | 67 Ų | 67 | 117.9 Ų | 117.9 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | | | trans | -72.2 | -165.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 30 | P | 52.3 | Low | 39.6 | Very low | 118 Ų | 118 | 117 Ų | 117 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | cis | -142.8 | 174.4 | 25.3 | 41 | -21.6 | 0 | 0 | 0 | 117.2 | | |
| 31 | K | 39.6 | Very low | 39.5 | Very low | 206 Ų | 206 | 116.6 Ų | 116.6 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | | | trans | 52.4 | 154.6 | 139 | -81.9 | -171.5 | 171.9 | -177.6 | 0 | 119.9 | | |
| 32 | A | 35.6 | Very low | 39.3 | Very low | 96 Ų | 96 | 116.7 Ų | 116.7 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | | | cis | -177.4 | 165.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 33 | G | 35.2 | Very low | 38.7 | Very low | 79 Ų | 79 | 116.6 Ų | 116.6 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 145.6 | 89.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 34 | A | 40.2 | Very low | 38.3 | Very low | 107 Ų | 107 | 112.8 Ų | 112.8 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -77.6 | 146.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 35 | A | 38.4 | Very low | 38.3 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | trans | -162.6 | 122.5 | 150 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 36 | D | 40.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | | | trans | -84 | 145.9 | 169.4 | -160.7 | -73.3 | 0 | 0 | 0 | 109.5 | | |
| 37 | K | 40.6 | Very low | 38.7 | Very low | 203 Ų | 203 | 115.4 Ų | 115.4 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | 176.7 | 128.4 | 139.5 | -105.1 | 172.1 | 176.2 | -177.9 | 0 | 114.7 | | |
| 38 | S | 41.5 | Very low | 38.7 | Very low | 111 Ų | 111 | 114.9 Ų | 114.9 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -61.7 | 153 | 165.5 | -47.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 39 | A | 36.1 | Very low | 38.8 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -161.5 | 127.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 40 | A | 39.6 | Very low | 39.4 | Very low | 97 Ų | 97 | 118.1 Ų | 118.1 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | -82.2 | 150.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 41 | V | 37.6 | Very low | 38.7 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | -145.9 | 136.7 | 152.1 | -157.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 42 | A | 34.3 | Very low | 39.3 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | -87.1 | 168.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 43 | A | 32.1 | Very low | 39.9 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | 109.3 | 144 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 44 | A | 34.2 | Very low | 40.8 | Very low | 96 Ų | 96 | 119 Ų | 119 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | 88.7 | 96.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 45 | A | 39.4 | Very low | 41.6 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | -82.3 | 146.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 46 | P | 44.3 | Very low | 42.2 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | | -137.1 | 166.5 | 116.7 | 35.5 | -23.3 | 0 | 0 | 0 | 113.9 | | |
| 47 | A | 36.8 | Very low | 42.6 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -75.3 | 169.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 48 | S | 39.1 | Very low | 43.1 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | 78.3 | 111.6 | 158.9 | 72.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 49 | V | 41.5 | Very low | 43.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | | -172.1 | 144 | 102.2 | -86 | 0 | 0 | 0 | 0 | 108.7 | | |
| 50 | A | 48.5 | Very low | 44.8 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -69.9 | 129.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 51 | D | 39 | Very low | 45.7 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | -137.4 | 116.1 | 158.6 | -131.7 | -60.3 | 0 | 0 | 0 | 107.9 | A53 | D51-A53 PolarHBondContact O-N 2.83Š|
| 52 | D | 50.3 | Low | 46.8 | Very low | 164 Ų | 164 | 130 Ų | 130 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -74.7 | 98.5 | 178.8 | -171.8 | -97.1 | 0 | 0 | 0 | 107.8 | | |
| 53 | A | 48.9 | Very low | 47.8 | Very low | 80 Ų | 80 | 127.6 Ų | 127.6 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | -138.8 | 122.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | D51 | D51-A53 PolarHBondContact O-N 2.83Š|
| 54 | P | 54.9 | Low | 48.8 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 149.5 | -176.7 | 27.4 | -33.2 | 0 | 0 | 0 | 112.2 | | |
| 55 | P | 57.2 | Low | 49.7 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 151 | -177 | 26.6 | -33.5 | 0 | 0 | 0 | 112.6 | E57 | P55-E57 PolarHBondContact O-N 2.84Š|
| 56 | P | 49.7 | Very low | 50.2 | Low | 128 Ų | 128 | 131.2 Ų | 131.2 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 117.5 | -176.4 | 26.5 | -33.8 | 0 | 0 | 0 | 111.2 | R58 | P56-R58 PolarHBondContact O-N 3.12Å; P56-R58 VanDerWaalsContact O-N 3.07Å |
| 57 | E | 48.8 | Very low | 50.9 | Low | 156 Ų | 156 | 133.2 Ų | 133.2 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | | | trans | -65.3 | 106.3 | 178.4 | -150.6 | -174.3 | 132.2 | 0 | 0 | 109.9 | P55 R59 | P55-E57 PolarHBondContact O-N 2.84Å; E57-R59 VanDerWaalsContact C-N 3.27Å; E57-R59 PolarHBondContact O-N 2.92Å |
| 58 | R | 51.8 | Low | 51.6 | Low | 251 Ų | 251 | 134.6 Ų | 134.6 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | | | trans | -69.9 | 85.3 | 172.6 | -109.9 | 179.5 | 165.3 | -98.9 | 1.2 | 109.3 | P56 N60 | P56-R58 PolarHBondContact O-N 3.12Å; P56-R58 VanDerWaalsContact O-N 3.07Å; R58-N60 PolarHBondContact O-N 3Å |
| 59 | R | 54.6 | Low | 52.1 | Low | 195 Ų | 195 | 137.6 Ų | 137.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -69.9 | 116.2 | 178.4 | -162.8 | 169.9 | -173.3 | 152.6 | 3 | 110.6 | E57 | E57-R59 VanDerWaalsContact C-N 3.27Å; E57-R59 PolarHBondContact O-N 2.92Å |
| 60 | N | 58.3 | Low | 52.4 | Low | 92 Ų | 92 | 137.5 Ų | 137.5 | 49% | 0.492 | 75% | 0.754 | S | S | . | * | | | trans | -71.7 | 156.4 | 165.1 | 63.9 | 27.4 | 0 | 0 | 0 | 109.8 | R58 S62 G63 | R58-N60 PolarHBondContact O-N 3Å; N60-S62 PolarHBondContact O-N 2.64Å; N60-G63 PolarHBondContact O-N 2.79Å |
| 61 | K | 58.2 | Low | 52.8 | Low | 221 Ų | 221 | 142.4 Ų | 142.4 | 96% | 0.961 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 7.2 | -168.8 | -150.3 | 91.3 | 169.2 | -77.9 | 0 | 115.4 | | |
| 62 | S | 60.4 | Low | 53.4 | Low | 93 Ų | 93 | 140.2 Ų | 140.2 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -10.9 | -174.8 | -39.3 | 0 | 0 | 0 | 0 | 114.1 | N60 I64 | N60-S62 PolarHBondContact O-N 2.64Å; S62-I64 VanDerWaalsContact C-N 3.26Å; S62-I64 WeakPolarHBondContact O-CG1 3.42Å; S62-I64 PolarHBondContact O-N 3.19Å; S62-I64 VanDerWaalsContact O-N 3.15Å |
| 63 | G | 55.8 | Low | 53.5 | Low | 41 Ų | 41 | 140.3 Ų | 140.3 | 42% | 0.423 | 75% | 0.753 | S | S | . | * | | | trans | 61.3 | 23.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | N60 | N60-G63 PolarHBondContact O-N 2.79Š|
| 64 | I | 53.8 | Low | 53.6 | Low | 130 Ų | 130 | 147.9 Ų | 147.9 | 67% | 0.667 | 76% | 0.764 | S | S | * | * | | | trans | -105.8 | 117.2 | 175.2 | -40 | -176.2 | 0 | 0 | 0 | 108.4 | S62 S66 | S62-I64 VanDerWaalsContact C-N 3.26Å; S62-I64 WeakPolarHBondContact O-CG1 3.42Å; S62-I64 PolarHBondContact O-N 3.19Å; S62-I64 VanDerWaalsContact O-N 3.15Å; I64-S66 PolarHBondContact O-N 3.31Å |
| 65 | I | 52.8 | Low | 53.4 | Low | 136 Ų | 136 | 153.7 Ų | 153.7 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | trans | -61.7 | 119.4 | 175.4 | -56.9 | 170.3 | 0 | 0 | 0 | 107.5 | E67 | I65-E67 HydrophobicContact CG2-CG 4.26Å; I65-E67 PolarHBondContact O-N 3.03Å |
| 66 | S | 49.7 | Very low | 52.8 | Low | 107 Ų | 107 | 154 Ų | 154 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -86.2 | 87 | 170.9 | -55.9 | 0 | 0 | 0 | 0 | 108 | I64 | I64-S66 PolarHBondContact O-N 3.31Š|
| 67 | E | 59.3 | Low | 53.1 | Low | 170 Ų | 170 | 159 Ų | 159 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -69 | 139.6 | 166.5 | -87.7 | -177 | 125.5 | 0 | 0 | 110.1 | I65 L69 | I65-E67 HydrophobicContact CG2-CG 4.26Å; I65-E67 PolarHBondContact O-N 3.03Å; E67-L69 PolarHBondContact O-N 3.21Å |
| 68 | P | 50.9 | Low | 53 | Low | 121 Ų | 121 | 157.6 Ų | 157.6 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | -70.6 | 117.3 | 174.7 | 28.7 | -30.6 | 0 | 0 | 0 | 108.9 | N70 | P68-N70 PolarHBondContact O-N 2.95Š|
| 69 | L | 50.9 | Low | 52.6 | Low | 174 Ų | 174 | 153.8 Ų | 153.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -53.1 | 93.9 | 178.7 | -166.1 | 78.1 | 0 | 0 | 0 | 111.3 | E67 | E67-L69 PolarHBondContact O-N 3.21Š|
| 70 | N | 47.6 | Very low | 51.9 | Low | 138 Ų | 138 | 149.4 Ų | 149.4 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -74.1 | 140.2 | 170.9 | -163.5 | -48.8 | 0 | 0 | 0 | 109.4 | P68 S72 | P68-N70 PolarHBondContact O-N 2.95Å; N70-S72 VanDerWaalsContact C-N 3.33Å; N70-S72 PolarHBondContact O-N 3.08Å |
| 71 | K | 56.3 | Low | 51.4 | Low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -65.3 | 79.4 | -174 | -64.6 | 140.9 | 178.3 | 173.3 | 0 | 111 | | |
| 72 | S | 50.7 | Low | 50.3 | Low | 109 Ų | 109 | 153.1 Ų | 153.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -140.2 | 65.6 | 169.9 | -161.3 | 0 | 0 | 0 | 0 | 111.7 | N70 | N70-S72 VanDerWaalsContact C-N 3.33Å; N70-S72 PolarHBondContact O-N 3.08Å |
| 73 | L | 52.7 | Low | 49.3 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -142.4 | 47.3 | 163.3 | -116 | 153.2 | 0 | 0 | 0 | 109.7 | | |
| 74 | R | 52.3 | Low | 48.5 | Very low | 239 Ų | 239 | 156.7 Ų | 156.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -102.2 | 80 | 162.1 | -73 | -135.9 | 177.7 | -148.9 | 0.7 | 108.9 | | |
| 75 | R | 49.8 | Very low | 47.8 | Very low | 240 Ų | 240 | 159.6 Ų | 159.6 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | | | trans | -171.7 | 73.6 | 154.5 | -92.1 | 134.6 | -169.7 | 177.8 | 1.8 | 108.4 | | |
| 76 | S | 45.2 | Very low | 47 | Very low | 119 Ų | 119 | 156.3 Ų | 156.3 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.4 | 163.7 | 49.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 77 | R | 55.3 | Low | 46.3 | Very low | 233 Ų | 233 | 157.1 Ų | 157.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139.6 | 159.6 | -70.3 | 178.2 | 169.9 | -161.4 | -3.2 | 108.7 | L79 | R77-L79 PolarHBondContact O-N 3.43Š|
| 78 | P | 47.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 155.2 Ų | 155.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 117.5 | 168.6 | 31.1 | -27.6 | 0 | 0 | 0 | 108.1 | | |
| 79 | L | 42.5 | Very low | 44.6 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 130.6 | 173 | -161.2 | 70.6 | 0 | 0 | 0 | 109.7 | R77 | R77-L79 PolarHBondContact O-N 3.43Š|
| 80 | S | 40.2 | Very low | 43.9 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 153.4 | -169.6 | -40.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 81 | H | 46.7 | Very low | 43.5 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.875 | 83% | 0.833 | S | S | * | * | | | trans | -43.6 | 127.3 | 173 | -65 | -96.8 | 0 | 0 | 0 | 113.7 | | |
| 82 | Y | 36.6 | Very low | 42.4 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | | | trans | -114.1 | 107.1 | 159.8 | -164.4 | -97.3 | 0 | 0 | 0 | 108.6 | S84 | Y82-S84 PolarHBondContact O-N 3.01Š|
| 83 | S | 38 | Very low | 41.7 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -69.1 | 118.5 | 174.1 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 84 | S | 38.9 | Very low | 40.8 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | -97 | 111.3 | 167.2 | -68.4 | 0 | 0 | 0 | 0 | 109.1 | Y82 | Y82-S84 PolarHBondContact O-N 3.01Š|
| 85 | F | 39.8 | Very low | 40.2 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 84% | 0.838 | 83% | 0.831 | S | S | * | * | | | trans | -69 | 127.3 | 158.7 | 60 | -83.4 | 0 | 0 | 0 | 107.8 | | |
| 86 | G | 35.4 | Very low | 39.5 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | | | trans | -150.4 | 100.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S88 | G86-S88 PolarHBondContact O-N 3.41Š|
| 87 | S | 35.5 | Very low | 39.3 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | | | trans | -56.5 | 126.7 | -176 | -51.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 88 | S | 38.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -69.4 | 124.7 | 165 | -45.7 | 0 | 0 | 0 | 0 | 109.7 | G86 | G86-S88 PolarHBondContact O-N 3.41Š|
| 89 | G | 36.1 | Very low | 37.8 | Very low | 80 Ų | 80 | 119 Ų | 119 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -125.7 | 127.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 90 | G | 36.9 | Very low | 37.6 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | | | trans | 100.2 | 84.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 91 | S | 37.7 | Very low | 37.5 | Very low | 133 Ų | 133 | 124.3 Ų | 124.3 | 93% | 0.93 | 84% | 0.839 | S | S | * | * | | | trans | -56.9 | 135.8 | 155.7 | 9.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 92 | G | 33.7 | Very low | 36.9 | Very low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | | | trans | -138.3 | 100.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 93 | S | 37.1 | Very low | 36.8 | Very low | 127 Ų | 127 | 112.9 Ų | 112.9 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | | | trans | -68.6 | 132.2 | 174 | 34.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 94 | G | 33.8 | Very low | 36.7 | Very low | 76 Ų | 76 | 116.9 Ų | 116.9 | 78% | 0.784 | 84% | 0.842 | S | S | * | * | | | trans | -152.6 | 90.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 95 | S | 37.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | | | trans | -67 | 124.6 | 173 | -46.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 96 | G | 36.1 | Very low | 36.7 | Very low | 75 Ų | 75 | 113 Ų | 113 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | | | trans | -150.9 | 97 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 97 | S | 41 | Very low | 37.3 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 92% | 0.923 | 85% | 0.853 | S | S | * | * | | | trans | -63.4 | 132.7 | 169.7 | 39.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 98 | G | 34.9 | Very low | 37.6 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | | | trans | -167 | 75.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 99 | S | 35.3 | Very low | 37.8 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 90% | 0.895 | 85% | 0.847 | S | S | * | * | | | trans | -67 | 131.7 | 170.6 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 100 | M | 40.2 | Very low | 38.1 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | | | trans | -148.1 | 125.4 | 152.5 | 41 | -162.4 | 170.4 | 0 | 0 | 109.5 | | |
| 101 | M | 38 | Very low | 38.4 | Very low | 199 Ų | 199 | 122.3 Ų | 122.3 | 98% | 0.98 | 84% | 0.84 | S | S | * | * | | | trans | -69 | 150.1 | -173.9 | -79.7 | -84.6 | -171.6 | 0 | 0 | 112.8 | | |
| 102 | G | 32.5 | Very low | 38.6 | Very low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | | | trans | 180 | 86.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 103 | G | 35.1 | Very low | 38.9 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | -90.2 | 145.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 104 | E | 35.5 | Very low | 39.2 | Very low | 188 Ų | 188 | 118.2 Ų | 118.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -149.3 | 116.4 | 160 | -58.2 | -175.6 | 116.5 | 0 | 0 | 109.4 | | |
| 105 | S | 36.1 | Very low | 39.6 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 61.9 | 104.4 | 161.7 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 106 | A | 43.8 | Very low | 39.9 | Very low | 92 Ų | 92 | 115.8 Ų | 115.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -72.2 | 128.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 107 | D | 46.5 | Very low | 40.4 | Very low | 164 Ų | 164 | 117 Ų | 117 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | 168.5 | 63.8 | 145.7 | -87.8 | -38.5 | 0 | 0 | 0 | 110.3 | | |
| 108 | K | 43.1 | Very low | 40.6 | Very low | 198 Ų | 198 | 117.7 Ų | 117.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -165.7 | 63.5 | 163.1 | -145.7 | 173 | 177.3 | -171.7 | 0 | 113.7 | | |
| 109 | A | 41.8 | Very low | 41.2 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -137.9 | 17.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 110 | T | 44 | Very low | 41.6 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -122 | 8.3 | 174.9 | 31.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 111 | A | 41.9 | Very low | 41.6 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -108.1 | 10.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 112 | A | 42.3 | Very low | 42 | Very low | 90 Ų | 90 | 112.6 Ų | 112.6 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -105.6 | -7.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 113 | A | 40.9 | Very low | 42.3 | Very low | 87 Ų | 87 | 117 Ų | 117 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -101.9 | -16.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 114 | A | 42 | Very low | 42.2 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 60% | 0.603 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -93.7 | -11.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 115 | A | 43.4 | Very low | 42.6 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 58% | 0.579 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -87.8 | -10.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 116 | A | 44.7 | Very low | 42.8 | Very low | 89 Ų | 89 | 117.9 Ų | 117.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -88.5 | -12.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 117 | S | 44.5 | Very low | 42.6 | Very low | 101 Ų | 101 | 118.5 Ų | 118.5 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -104.9 | 1.1 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 118 | L | 46.3 | Very low | 42.2 | Very low | 146 Ų | 146 | 115.7 Ų | 115.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -113.1 | 10.8 | -174.7 | -85 | 164.2 | 0 | 0 | 0 | 115.4 | | |
| 119 | L | 47.3 | Very low | 42.1 | Very low | 167 Ų | 167 | 115.7 Ų | 115.7 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -107.8 | 28.3 | 174.2 | -65.9 | 175.6 | 0 | 0 | 0 | 113 | | |
| 120 | A | 43.6 | Very low | 41.9 | Very low | 84 Ų | 84 | 115.7 Ų | 115.7 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -99.6 | -2.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 121 | N | 40.4 | Very low | 41.6 | Very low | 152 Ų | 152 | 115.5 Ų | 115.5 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -134.6 | 110.9 | 173.8 | -79.9 | -58.4 | 0 | 0 | 0 | 109.6 | H123 | N121-H123 PolarHBondContact O-N 3.14Š|
| 122 | G | 45.4 | Very low | 41.2 | Very low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -63.8 | 127.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 123 | H | 39.1 | Very low | 41.4 | Very low | 173 Ų | 173 | 124 Ų | 124 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | | | trans | -160 | 127.1 | 151.4 | -119.6 | -76.7 | 0 | 0 | 0 | 110.3 | N121 | N121-H123 PolarHBondContact O-N 3.14Š|
| 124 | D | 33.2 | Very low | 41.4 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | 40.2 | 110 | 157.9 | -72.1 | -73 | 0 | 0 | 0 | 121.8 | A126 | D124-A126 PolarHBondContact O-N 2.93Å; D124-A126 VanDerWaalsContact O-N 3.15Å |
| 125 | L | 44.9 | Very low | 41.6 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -79.3 | 73.3 | 165.3 | -162.6 | 104.3 | 0 | 0 | 0 | 110.6 | | |
| 126 | A | 39 | Very low | 41.4 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -158.2 | 48 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D124 | D124-A126 PolarHBondContact O-N 2.93Å; D124-A126 VanDerWaalsContact O-N 3.15Å |
| 127 | A | 40.9 | Very low | 41.6 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -161.4 | 84.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 128 | A | 37.2 | Very low | 41.8 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -163.6 | 55.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 129 | M | 41.3 | Very low | 41.9 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 98% | 0.975 | 80% | 0.795 | S | S | * | * | | | trans | -109.1 | 91.9 | 158 | -76.5 | -161.8 | 166.8 | 0 | 0 | 108 | | |
| 130 | A | 36.9 | Very low | 42 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -158.8 | 100.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 131 | V | 38.6 | Very low | 42.3 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | | | trans | 52.5 | 101.6 | 138.5 | -167 | 0 | 0 | 0 | 0 | 118.2 | | |
| 132 | D | 32.4 | Very low | 42.8 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | | -135.1 | 126.7 | 126.5 | -162.8 | -91.9 | 0 | 0 | 0 | 109.4 | S134 | D132-S134 PolarHBondContact O-N 3.4Š|
| 133 | K | 48 | Very low | 43.1 | Very low | 203 Ų | 203 | 133.2 Ų | 133.2 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -93.7 | 92.5 | -171 | -177 | 160.2 | 178.2 | 162.8 | 0 | 108.9 | | |
| 134 | S | 39.8 | Very low | 43.7 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | -141.9 | 120.2 | 164.7 | 42.4 | 0 | 0 | 0 | 0 | 111 | D132 P136 | D132-S134 PolarHBondContact O-N 3.4Å; S134-P136 VanDerWaalsContact O-CD 3.29Å; S134-P136 WeakPolarHBondContact O-CD 3.43Å |
| 135 | N | 46.6 | Very low | 44.8 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | trans | -77.9 | 124.6 | 175.6 | -179.3 | 12.6 | 0 | 0 | 0 | 109.5 | | |
| 136 | P | 39.1 | Very low | 45.3 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -133.5 | 128.4 | 142.2 | 35.5 | -23.1 | 0 | 0 | 0 | 112.2 | S134 S138 | S134-P136 VanDerWaalsContact O-CD 3.29Å; S134-P136 WeakPolarHBondContact O-CD 3.43Å; P136-S138 PolarHBondContact O-N 3.26Å; P136-S138 VanDerWaalsContact O-N 3.08Å |
| 137 | T | 49.2 | Very low | 46 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | | | trans | -67 | 99.6 | 169.6 | 63.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 138 | S | 47.8 | Very low | 46.7 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | | | trans | -157.1 | 117.7 | 166.8 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | P136 H140 | P136-S138 PolarHBondContact O-N 3.26Å; P136-S138 VanDerWaalsContact O-N 3.08Å; S138-H140 PolarHBondContact O-N 3.11Å; S138-H140 VanDerWaalsContact O-N 3.07Å |
| 139 | K | 50.3 | Low | 47.7 | Very low | 201 Ų | 201 | 120.6 Ų | 120.6 | 87% | 0.874 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 14.1 | -177.6 | -70.3 | 179.7 | 176.3 | 174.1 | 0 | 114.5 | | |
| 140 | H | 48.6 | Very low | 48.3 | Very low | 163 Ų | 163 | 114.6 Ų | 114.6 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -0.7 | -173.6 | -71.8 | -79.3 | 0 | 0 | 0 | 115.4 | S138 | S138-H140 PolarHBondContact O-N 3.11Å; S138-H140 VanDerWaalsContact O-N 3.07Å |
| 141 | K | 49 | Very low | 49.2 | Very low | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -92.4 | -20.3 | -172.5 | -150.3 | 166 | -176.2 | -176.9 | 0 | 115.2 | G143 | K141-G143 PolarHBondContact O-N 3.46Š|
| 142 | S | 52.3 | Low | 50 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -72.3 | -24.8 | 179.2 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | V145 | S142-V145 VanDerWaalsContact O-CG2 3.26Å; S142-V145 WeakPolarHBondContact O-CG2 3.08Å |
| 143 | G | 52 | Low | 51.1 | Low | 45 Ų | 45 | 113 Ų | 113 | 46% | 0.464 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -75.5 | -29.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | K141 S147 | K141-G143 PolarHBondContact O-N 3.46Å; G143-S147 VanDerWaalsContact O-CB 3.29Å; G143-S147 WeakPolarHBondContact O-CB 3.4Å; G143-S147 PolarHBondContact O-N 3.27Å |
| 144 | A | 51.5 | Low | 51.4 | Low | 53 Ų | 53 | 112.3 Ų | 112.3 | 44% | 0.438 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.2 | -40.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S147 L148 | A144-S147 PolarHBondContact O-N 2.8Å; A144-L148 VanDerWaalsContact O-CG 3.28Å; A144-L148 WeakPolarHBondContact O-CG 3.22Å; A144-L148 PolarHBondContact O-N 3.31Å |
| 145 | V | 55.9 | Low | 52.1 | Low | 96 Ų | 96 | 110.8 Ų | 110.8 | 58% | 0.582 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.4 | -38.7 | 177.7 | -67 | 0 | 0 | 0 | 0 | 112.2 | S142 L148 L149 | S142-V145 VanDerWaalsContact O-CG2 3.26Å; S142-V145 WeakPolarHBondContact O-CG2 3.08Å; V145-L148 PolarHBondContact O-N 3.36Å; V145-L149 PolarHBondContact O-N 3.32Å; V145-L149 VanDerWaalsContact O-N 3.1Å |
| 146 | A | 55.2 | Low | 52.6 | Low | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L148 L149 S150 | A146-L148 PolarHBondContact O-N 3.22Å; A146-L149 PolarHBondContact O-N 3.17Å; A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 VanDerWaalsContact O-N 3.09Å; A146-S150 PolarHBondContact O-OG 2.99Å |
| 147 | S | 53.7 | Low | 53.3 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70 | -30.5 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | G143 A144 K151 | G143-S147 VanDerWaalsContact O-CB 3.29Å; G143-S147 WeakPolarHBondContact O-CB 3.4Å; G143-S147 PolarHBondContact O-N 3.27Å; A144-S147 PolarHBondContact O-N 2.8Å; S147-K151 WeakPolarHBondContact O-CB 3.48Å; S147-K151 PolarHBondContact O-N 3.18Å |
| 148 | L | 56.5 | Low | 53.5 | Low | 120 Ų | 120 | 108.4 Ų | 108.4 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.8 | -36.8 | 173.7 | -69.6 | 173.7 | 0 | 0 | 0 | 112 | A144 V145 A146 K151 A152 | A144-L148 VanDerWaalsContact O-CG 3.28Å; A144-L148 WeakPolarHBondContact O-CG 3.22Å; A144-L148 PolarHBondContact O-N 3.31Å; V145-L148 PolarHBondContact O-N 3.36Å; A146-L148 PolarHBondContact O-N 3.22Å; L148-K151 PolarHBondContact O-N 3.43Å; L148-A152 PolarHBondContact O-N 3.43Å |
| 149 | L | 56.9 | Low | 53.8 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 67% | 0.665 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -47.3 | 174.7 | -134.6 | 86.8 | 0 | 0 | 0 | 111.3 | V145 A146 K151 A152 E153 | V145-L149 PolarHBondContact O-N 3.32Å; V145-L149 VanDerWaalsContact O-N 3.1Å; A146-L149 PolarHBondContact O-N 3.17Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 3.39Å; L149-A152 PolarHBondContact O-N 2.78Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-E153 PolarHBondContact O-N 3.37Å |
| 150 | S | 55.1 | Low | 54.2 | Low | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -25.1 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | A146 R154 | A146-S150 PolarHBondContact O-N 3.05Å; A146-S150 VanDerWaalsContact O-N 3.09Å; A146-S150 PolarHBondContact O-OG 2.99Å; S150-R154 PolarHBondContact O-N 3.22Å |
| 151 | K | 55.4 | Low | 54.6 | Low | 150 Ų | 150 | 98.4 Ų | 98.4 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.9 | -34.6 | 172.1 | -106.1 | 176.3 | 172.5 | 175.9 | 0 | 112.4 | S147 L148 L149 A155 | S147-K151 WeakPolarHBondContact O-CB 3.48Å; S147-K151 PolarHBondContact O-N 3.18Å; L148-K151 PolarHBondContact O-N 3.43Å; L149-K151 VanDerWaalsContact C-N 3.27Å; L149-K151 PolarHBondContact O-N 3.39Å; K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.91Å |
| 152 | A | 55 | Low | 55.3 | Low | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.9 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L148 L149 R154 A155 T156 | L148-A152 PolarHBondContact O-N 3.43Å; L149-A152 PolarHBondContact O-N 2.78Å; L149-A152 VanDerWaalsContact O-N 3.16Å; A152-R154 VanDerWaalsContact C-N 3.35Å; A152-R154 PolarHBondContact O-N 3.48Å; A152-A155 WeakPolarHBondContact O-CB 3.35Å; A152-A155 PolarHBondContact O-N 3.02Å; A152-T156 PolarHBondContact O-N 3.26Å; A152-T156 PolarHBondContact O-OG1 3.32Å; A152-T156 VanDerWaalsContact O-OG1 3.1Å |
| 153 | E | 55.9 | Low | 55.5 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 63% | 0.631 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 178.1 | -139.6 | 179.2 | 153.2 | 0 | 0 | 112.2 | L149 A155 T156 E157 | L149-E153 PolarHBondContact O-N 3.37Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 2.98Å; E153-T156 WeakPolarHBondContact CA-OG1 3.27Å; E153-T156 PolarHBondContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 3.07Å; E153-E157 PolarHBondContact O-N 3.01Å |
| 154 | R | 54.8 | Low | 56 | Low | 188 Ų | 188 | 97.1 Ų | 97.1 | 71% | 0.709 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.3 | -29 | 173.1 | -85.2 | -88.6 | 176.5 | 121.2 | -5.5 | 113.6 | S150 A152 L158 | S150-R154 PolarHBondContact O-N 3.22Å; A152-R154 VanDerWaalsContact C-N 3.35Å; A152-R154 PolarHBondContact O-N 3.48Å; R154-L158 PolarHBondContact O-N 3.28Å |
| 155 | A | 53.4 | Low | 56.6 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -79.3 | -33.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K151 A152 E153 A159 | K151-A155 WeakPolarHBondContact O-CB 3.18Å; K151-A155 PolarHBondContact O-N 2.91Å; A152-A155 WeakPolarHBondContact O-CB 3.35Å; A152-A155 PolarHBondContact O-N 3.02Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 2.98Å; A155-A159 PolarHBondContact O-N 2.65Å; A155-A159 VanDerWaalsContact O-N 3.14Å |
| 156 | T | 57.9 | Low | 57.2 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.8 | -36.3 | 174.8 | 40.6 | 0 | 0 | 0 | 0 | 112.9 | A152 E153 A159 A160 | A152-T156 PolarHBondContact O-N 3.26Å; A152-T156 PolarHBondContact O-OG1 3.32Å; A152-T156 VanDerWaalsContact O-OG1 3.1Å; E153-T156 WeakPolarHBondContact CA-OG1 3.27Å; E153-T156 PolarHBondContact O-N 3.08Å; E153-T156 PolarHBondContact O-OG1 3.07Å; T156-A159 PolarHBondContact O-N 2.75Å; T156-A160 PolarHBondContact O-N 3.02Å; T156-A160 VanDerWaalsContact O-N 3.17Å |
| 157 | E | 52.6 | Low | 57.9 | Low | 129 Ų | 129 | 103.3 Ų | 103.3 | 60% | 0.603 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.1 | -41.3 | 173.9 | -76.4 | -151.1 | 118.4 | 0 | 0 | 112.8 | E153 A159 A160 E161 | E153-E157 PolarHBondContact O-N 3.01Å; E157-A159 VanDerWaalsContact C-N 3.27Å; E157-A159 PolarHBondContact O-N 2.96Å; E157-A160 PolarHBondContact O-N 3.27Å; E157-E161 WeakPolarHBondContact O-CG 3.33Å; E157-E161 PolarHBondContact O-N 3.2Å |
| 158 | L | 53.4 | Low | 58.7 | Low | 118 Ų | 118 | 106.3 Ų | 106.3 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -31 | 175.4 | -87.9 | 161.6 | 0 | 0 | 0 | 113.1 | R154 G162 | R154-L158 PolarHBondContact O-N 3.28Å; L158-G162 PolarHBondContact O-N 3.03Å |
| 159 | A | 54.8 | Low | 59.4 | Low | 55 Ų | 55 | 107.1 Ų | 107.1 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A155 T156 E157 G162 Q163 | A155-A159 PolarHBondContact O-N 2.65Å; A155-A159 VanDerWaalsContact O-N 3.14Å; T156-A159 PolarHBondContact O-N 2.75Å; E157-A159 VanDerWaalsContact C-N 3.27Å; E157-A159 PolarHBondContact O-N 2.96Å; A159-G162 PolarHBondContact O-N 3.24Å; A159-Q163 WeakPolarHBondContact O-CG 3.49Å; A159-Q163 PolarHBondContact O-N 2.95Å |
| 160 | A | 58 | Low | 60.1 | Low | 54 Ų | 54 | 103.5 Ų | 103.5 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.1 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T156 E157 Q163 L164 | T156-A160 PolarHBondContact O-N 3.02Å; T156-A160 VanDerWaalsContact O-N 3.17Å; E157-A160 PolarHBondContact O-N 3.27Å; A160-Q163 PolarHBondContact O-N 3.09Å; A160-L164 PolarHBondContact O-N 2.88Å; A160-L164 VanDerWaalsContact O-N 3.13Å |
| 161 | E | 56.6 | Low | 60.9 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.7 | -36.7 | 174.9 | -66.7 | -176.9 | 162.1 | 0 | 0 | 112.3 | E157 L164 T165 | E157-E161 WeakPolarHBondContact O-CG 3.33Å; E157-E161 PolarHBondContact O-N 3.2Å; E161-L164 PolarHBondContact O-N 3.33Å; E161-T165 PolarHBondContact O-N 3.19Å; E161-T165 VanDerWaalsContact O-N 3.15Å; E161-T165 PolarHBondContact O-OG1 3.43Å |
| 162 | G | 63.7 | Low | 61.4 | Low | 36 Ų | 36 | 101.6 Ų | 101.6 | 37% | 0.371 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L158 A159 T165 L166 | L158-G162 PolarHBondContact O-N 3.03Å; A159-G162 PolarHBondContact O-N 3.24Å; G162-T165 WeakPolarHBondContact CA-OG1 3.32Å; G162-T165 PolarHBondContact O-OG1 2.64Å; G162-L166 WeakPolarHBondContact O-CB 3.39Å; G162-L166 PolarHBondContact O-N 3.29Å |
| 163 | Q | 57.1 | Low | 62 | Low | 142 Ų | 142 | 101.3 Ų | 101.3 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.8 | -38.2 | 175.6 | -77.7 | -179.9 | -13.1 | 0 | 0 | 112.4 | A159 A160 L166 Q167 | A159-Q163 WeakPolarHBondContact O-CG 3.49Å; A159-Q163 PolarHBondContact O-N 2.95Å; A160-Q163 PolarHBondContact O-N 3.09Å; Q163-L166 PolarHBondContact O-N 3.31Å; Q163-Q167 WeakPolarHBondContact O-CB 3.43Å; Q163-Q167 PolarHBondContact O-N 3.08Å |
| 164 | L | 63.7 | Low | 62.6 | Low | 105 Ų | 105 | 99.4 Ų | 99.4 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 177.1 | -118 | 162.6 | 0 | 0 | 0 | 111.9 | A160 E161 Q167 Q168 | A160-L164 PolarHBondContact O-N 2.88Å; A160-L164 VanDerWaalsContact O-N 3.13Å; E161-L164 PolarHBondContact O-N 3.33Å; L164-Q167 PolarHBondContact O-N 2.84Å; L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 PolarHBondContact O-N 3.49Å |
| 165 | T | 63.3 | Low | 63 | Low | 86 Ų | 86 | 96.6 Ų | 96.6 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 176.9 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | E161 G162 Q168 F169 | E161-T165 PolarHBondContact O-N 3.19Å; E161-T165 VanDerWaalsContact O-N 3.15Å; E161-T165 PolarHBondContact O-OG1 3.43Å; G162-T165 WeakPolarHBondContact CA-OG1 3.32Å; G162-T165 PolarHBondContact O-OG1 2.64Å; T165-Q168 PolarHBondContact O-N 3.09Å; T165-F169 WeakPolarHBondContact O-CB 3.3Å; T165-F169 PolarHBondContact O-N 3.15Å |
| 166 | L | 68.4 | Low | 63.6 | Low | 130 Ų | 130 | 99.1 Ų | 99.1 | 68% | 0.681 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 173.8 | -163.4 | 100.8 | 0 | 0 | 0 | 111.8 | G162 Q163 F169 A170 | G162-L166 WeakPolarHBondContact O-CB 3.39Å; G162-L166 PolarHBondContact O-N 3.29Å; Q163-L166 PolarHBondContact O-N 3.31Å; L166-F169 PolarHBondContact O-N 3.41Å; L166-A170 WeakPolarHBondContact O-CB 3.32Å; L166-A170 PolarHBondContact O-N 3.36Å |
| 167 | Q | 70.4 | Confident | 64.1 | Low | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68 | -39.3 | 175.9 | -170.3 | 172.4 | 39.4 | 0 | 0 | 111.8 | Q163 L164 F169 A170 Q171 | Q163-Q167 WeakPolarHBondContact O-CB 3.43Å; Q163-Q167 PolarHBondContact O-N 3.08Å; L164-Q167 PolarHBondContact O-N 2.84Å; Q167-F169 VanDerWaalsContact C-N 3.33Å; Q167-A170 PolarHBondContact O-N 2.94Å; Q167-Q171 WeakPolarHBondContact O-CG 3.5Å; Q167-Q171 PolarHBondContact O-N 3.27Å |
| 168 | Q | 69.1 | Low | 64.6 | Low | 131 Ų | 131 | 102.6 Ų | 102.6 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 173.3 | -121.8 | 167.4 | 25.6 | 0 | 0 | 111.7 | L164 T165 Q171 S172 | L164-Q168 WeakPolarHBondContact O-CB 3.42Å; L164-Q168 PolarHBondContact O-N 3.49Å; T165-Q168 PolarHBondContact O-N 3.09Å; Q168-Q171 PolarHBondContact O-N 3.47Å; Q168-S172 WeakPolarHBondContact O-CB 3.45Å; Q168-S172 PolarHBondContact O-N 3.33Å |
| 169 | F | 71.5 | Confident | 64.8 | Low | 138 Ų | 138 | 100.9 Ų | 100.9 | 61% | 0.605 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 174.1 | -172.6 | -99.2 | 0 | 0 | 0 | 111 | T165 L166 Q167 Q171 S172 T173 | T165-F169 WeakPolarHBondContact O-CB 3.3Å; T165-F169 PolarHBondContact O-N 3.15Å; L166-F169 PolarHBondContact O-N 3.41Å; Q167-F169 VanDerWaalsContact C-N 3.33Å; F169-Q171 PolarHBondContact O-N 3.08Å; F169-S172 PolarHBondContact O-N 3.38Å; F169-S172 VanDerWaalsContact O-N 3.14Å; F169-S172 PolarHBondContact O-OG 3.36Å; F169-T173 HydrophobicContact CD1-CG2 4.13Å; F169-T173 HydrophobicContact CE1-CG2 3.78Å; F169-T173 HydrophobicContact CZ-CG2 4.04Å; F169-T173 WeakPolarHBondContact O-CG2 3.48Å; F169-T173 PolarHBondContact O-N 2.92Å |
| 170 | A | 71.6 | Confident | 65.2 | Low | 51 Ų | 51 | 102.6 Ų | 102.6 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L166 Q167 S172 T173 E174 | L166-A170 WeakPolarHBondContact O-CB 3.32Å; L166-A170 PolarHBondContact O-N 3.36Å; Q167-A170 PolarHBondContact O-N 2.94Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 3.11Å; A170-T173 PolarHBondContact O-N 2.88Å; A170-T173 PolarHBondContact O-OG1 2.94Å; A170-E174 PolarHBondContact O-N 3.19Å; A170-E174 VanDerWaalsContact O-N 3.11Å |
| 171 | Q | 72 | Confident | 65.2 | Low | 120 Ų | 120 | 107.4 Ų | 107.4 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -38.6 | 176.1 | -73.8 | -167.4 | -3.6 | 0 | 0 | 112.7 | Q167 Q168 F169 T173 E174 M175 | Q167-Q171 WeakPolarHBondContact O-CG 3.5Å; Q167-Q171 PolarHBondContact O-N 3.27Å; Q168-Q171 PolarHBondContact O-N 3.47Å; F169-Q171 PolarHBondContact O-N 3.08Å; Q171-T173 VanDerWaalsContact C-N 3.32Å; Q171-T173 PolarHBondContact O-N 2.93Å; Q171-E174 PolarHBondContact O-N 3.37Å; Q171-M175 PolarHBondContact O-N 3.48Å; Q171-M175 VanDerWaalsContact O-N 3.1Å |
| 172 | S | 67.3 | Low | 65.1 | Low | 63 Ų | 63 | 109.2 Ų | 109.2 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -35.7 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 112.5 | Q168 F169 A170 L176 | Q168-S172 WeakPolarHBondContact O-CB 3.45Å; Q168-S172 PolarHBondContact O-N 3.33Å; F169-S172 PolarHBondContact O-N 3.38Å; F169-S172 VanDerWaalsContact O-N 3.14Å; F169-S172 PolarHBondContact O-OG 3.36Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 3.11Å; S172-L176 WeakPolarHBondContact O-CB 3.41Å; S172-L176 PolarHBondContact O-N 2.8Å |
| 173 | T | 66.3 | Low | 64.7 | Low | 51 Ų | 51 | 114.8 Ų | 114.8 | 31% | 0.313 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.3 | -29.6 | 176.9 | 64 | 0 | 0 | 0 | 0 | 112.8 | F169 A170 Q171 K177 | F169-T173 HydrophobicContact CD1-CG2 4.13Å; F169-T173 HydrophobicContact CE1-CG2 3.78Å; F169-T173 HydrophobicContact CZ-CG2 4.04Å; F169-T173 WeakPolarHBondContact O-CG2 3.48Å; F169-T173 PolarHBondContact O-N 2.92Å; A170-T173 PolarHBondContact O-N 2.88Å; A170-T173 PolarHBondContact O-OG1 2.94Å; Q171-T173 VanDerWaalsContact C-N 3.32Å; Q171-T173 PolarHBondContact O-N 2.93Å; T173-K177 WeakPolarHBondContact O-CB 3.39Å; T173-K177 WeakPolarHBondContact O-CG 3.13Å; T173-K177 PolarHBondContact O-N 3.17Å |
| 174 | E | 68.3 | Low | 63.9 | Low | 95 Ų | 95 | 114.6 Ų | 114.6 | 44% | 0.444 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -73.1 | -40.1 | 175.9 | -160.1 | -169.6 | 148.8 | 0 | 0 | 111.5 | A170 Q171 L176 K177 R178 | A170-E174 PolarHBondContact O-N 3.19Å; A170-E174 VanDerWaalsContact O-N 3.11Å; Q171-E174 PolarHBondContact O-N 3.37Å; E174-L176 VanDerWaalsContact C-N 3.34Å; E174-K177 PolarHBondContact O-N 3.33Å; E174-R178 PolarHBondContact O-N 3.12Å; E174-R178 IonicContact OE1-CZ 3.12Å; E174-R178 IonicContact OE1-NH1 2.68Å; E174-R178 PolarHBondContact OE1-NH1 2.73Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.39Å |
| 175 | M | 63.9 | Low | 63.2 | Low | 129 Ų | 129 | 114.1 Ų | 114.1 | 64% | 0.635 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.7 | -42.4 | 171.6 | -75.4 | -75.2 | -84 | 0 | 0 | 111.3 | Q171 R178 V179 | Q171-M175 PolarHBondContact O-N 3.48Å; Q171-M175 VanDerWaalsContact O-N 3.1Å; M175-R178 PolarHBondContact O-N 3.4Å; M175-V179 WeakPolarHBondContact O-CG2 3.44Å; M175-V179 PolarHBondContact O-N 3.39Å |
| 176 | L | 66.2 | Low | 62.2 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 59% | 0.586 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -39 | 176.2 | -170.4 | 65 | 0 | 0 | 0 | 112 | S172 E174 V179 V180 | S172-L176 WeakPolarHBondContact O-CB 3.41Å; S172-L176 PolarHBondContact O-N 2.8Å; E174-L176 VanDerWaalsContact C-N 3.34Å; L176-V179 PolarHBondContact O-N 2.95Å; L176-V180 HydrophobicContact CG-CG2 4.49Å; L176-V180 WeakPolarHBondContact O-CB 3.21Å; L176-V180 VanDerWaalsContact O-CG2 3.24Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.47Å |
| 177 | K | 67.3 | Low | 60.9 | Low | 153 Ų | 153 | 120.7 Ų | 120.7 | 67% | 0.665 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.9 | -38.8 | 175.3 | -81.5 | 178.9 | 178 | 177.2 | 0 | 112.6 | T173 E174 V180 Q181 | T173-K177 WeakPolarHBondContact O-CB 3.39Å; T173-K177 WeakPolarHBondContact O-CG 3.13Å; T173-K177 PolarHBondContact O-N 3.17Å; E174-K177 PolarHBondContact O-N 3.33Å; K177-V180 PolarHBondContact O-N 3.07Å; K177-Q181 VanDerWaalsContact O-CB 3.23Å; K177-Q181 WeakPolarHBondContact O-CB 3.27Å; K177-Q181 PolarHBondContact O-N 3.43Å |
| 178 | R | 62.8 | Low | 59.2 | Low | 141 Ų | 141 | 120.2 Ų | 120.2 | 53% | 0.532 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.7 | -42.2 | 174 | -73.1 | -161.2 | 177.9 | 85.4 | 8.7 | 112.1 | E174 M175 V180 Q181 E182 | E174-R178 PolarHBondContact O-N 3.12Å; E174-R178 IonicContact OE1-CZ 3.12Å; E174-R178 IonicContact OE1-NH1 2.68Å; E174-R178 PolarHBondContact OE1-NH1 2.73Å; E174-R178 IonicContact OE1-NH2 2.74Å; E174-R178 PolarHBondContact OE1-NH2 3.39Å; M175-R178 PolarHBondContact O-N 3.4Å; R178-V180 PolarHBondContact O-N 3.45Å; R178-Q181 PolarHBondContact O-N 3.49Å; R178-E182 VanDerWaalsContact O-CG 3.29Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 3.44Å |
| 179 | V | 58.8 | Low | 57.8 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.2 | -37.9 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | M175 L176 H183 | M175-V179 WeakPolarHBondContact O-CG2 3.44Å; M175-V179 PolarHBondContact O-N 3.39Å; L176-V179 PolarHBondContact O-N 2.95Å; V179-H183 PolarHBondContact O-CD2 3.08Å; V179-H183 PolarHBondContact O-N 3.23Å |
| 180 | V | 62.1 | Low | 56.4 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.9 | -33.3 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | L176 K177 R178 L184 | L176-V180 HydrophobicContact CG-CG2 4.49Å; L176-V180 WeakPolarHBondContact O-CB 3.21Å; L176-V180 VanDerWaalsContact O-CG2 3.24Å; L176-V180 WeakPolarHBondContact O-CG2 3.47Å; L176-V180 PolarHBondContact O-N 3.47Å; K177-V180 PolarHBondContact O-N 3.07Å; R178-V180 PolarHBondContact O-N 3.45Å; V180-L184 PolarHBondContact O-N 3.1Å |
| 181 | Q | 58.7 | Low | 54.6 | Low | 155 Ų | 155 | 121.3 Ų | 121.3 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.4 | -32.6 | 178.8 | -171.7 | 150.6 | 54.2 | 0 | 0 | 113.1 | K177 R178 H183 | K177-Q181 VanDerWaalsContact O-CB 3.23Å; K177-Q181 WeakPolarHBondContact O-CB 3.27Å; K177-Q181 PolarHBondContact O-N 3.43Å; R178-Q181 PolarHBondContact O-N 3.49Å; Q181-H183 VanDerWaalsContact C-N 3.32Å |
| 182 | E | 55.5 | Low | 53.1 | Low | 163 Ų | 163 | 121.1 Ų | 121.1 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.1 | -18.2 | 175 | -69 | -71.7 | 129.5 | 0 | 0 | 113.2 | R178 | R178-E182 VanDerWaalsContact O-CG 3.29Å; R178-E182 WeakPolarHBondContact O-CG 3.33Å; R178-E182 PolarHBondContact O-N 3.44Å |
| 183 | H | 53.7 | Low | 51.5 | Low | 152 Ų | 152 | 121.9 Ų | 121.9 | 70% | 0.704 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 10.3 | -178 | -79.4 | -63.7 | 0 | 0 | 0 | 115.4 | V179 Q181 P185 | V179-H183 PolarHBondContact O-CD2 3.08Å; V179-H183 PolarHBondContact O-N 3.23Å; Q181-H183 VanDerWaalsContact C-N 3.32Å; H183-P185 WeakPolarHBondContact O-CD 3.24Å |
| 184 | L | 41.8 | Very low | 50.2 | Low | 138 Ų | 138 | 127.7 Ų | 127.7 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | | | trans | -103.9 | 94.5 | 170 | -163.9 | 70 | 0 | 0 | 0 | 110.1 | V180 L186 | V180-L184 PolarHBondContact O-N 3.1Å; L184-L186 PolarHBondContact O-N 3.48Å |
| 185 | P | 47.3 | Very low | 49.2 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | | | trans | -63.7 | 130.5 | 169.4 | 24.3 | -29.2 | 0 | 0 | 0 | 109.2 | H183 M187 | H183-P185 WeakPolarHBondContact O-CD 3.24Å; P185-M187 PolarHBondContact O-N 2.91Å; P185-M187 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 42.2 | Very low | 47.7 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 93% | 0.932 | 73% | 0.734 | S | S | * | * | | | trans | -51.2 | 114.9 | 171.6 | -67.6 | 172.3 | 0 | 0 | 0 | 109.7 | L184 | L184-L186 PolarHBondContact O-N 3.48Š|
| 187 | M | 41.7 | Very low | 46.6 | Very low | 175 Ų | 175 | 130 Ų | 130 | 86% | 0.862 | 74% | 0.738 | S | S | * | * | | | trans | -118.9 | 96.9 | 160.9 | 35.3 | 179.5 | 60.1 | 0 | 0 | 108.2 | P185 | P185-M187 PolarHBondContact O-N 2.91Å; P185-M187 VanDerWaalsContact O-N 3.11Å |
| 188 | S | 35.9 | Very low | 45.3 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | trans | -162.6 | 129.1 | 166.3 | -160.3 | 0 | 0 | 0 | 0 | 104 | | |
| 189 | E | 39.7 | Very low | 44 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | cis | -158.6 | 172.4 | 12.4 | -152.5 | -148.9 | 112.5 | 0 | 0 | 108 | | |
| 190 | A | 40.6 | Very low | 43.1 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -44.4 | 157.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 191 | G | 33.8 | Very low | 42 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 148.9 | 96.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 192 | A | 41.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 95% | 0.95 | 79% | 0.791 | S | S | * | * | | | trans | 65.8 | 116.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 193 | G | 34.7 | Very low | 40 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 162.5 | 95.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 194 | L | 37.3 | Very low | 39.3 | Very low | 173 Ų | 173 | 127 Ų | 127 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | -58.9 | 171.7 | 156.9 | -73.3 | 166.4 | 0 | 0 | 0 | 110.5 | | |
| 195 | P | 48.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | cis | -135.4 | 154.1 | 17.9 | 44 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 196 | D | 32.1 | Very low | 39.1 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | | 111.5 | 144.2 | 84.4 | 180 | 45.6 | 0 | 0 | 0 | 112.5 | | |
| 197 | M | 43 | Very low | 38.8 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | | | trans | 58.7 | 118.9 | 165.3 | -136.4 | 61.7 | 73.6 | 0 | 0 | 117.1 | | |
| 198 | E | 39.3 | Very low | 38.3 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | | -165.3 | 148.6 | 64.2 | -165.5 | 138.7 | 84.4 | 0 | 0 | 112.4 | | |
| 199 | A | 35.5 | Very low | 38.3 | Very low | 85 Ų | 85 | 127.1 Ų | 127.1 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | | | trans | -69.9 | 148.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 200 | V | 39.5 | Very low | 38.5 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | | | | -159.7 | 126 | 114.3 | 115.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 201 | A | 40 | Very low | 38.2 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -78.5 | 150.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 202 | G | 34.4 | Very low | 38.2 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -159.3 | 92.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 203 | A | 36.9 | Very low | 38.6 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | trans | -69.4 | 144.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 204 | E | 40.3 | Very low | 39.1 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | 43 | 122.6 | 132.3 | -50.9 | -161.6 | 138.1 | 0 | 0 | 120.9 | | |
| 205 | A | 37.7 | Very low | 39.8 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | | | trans | -164 | 144.2 | 136.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 206 | L | 46 | Very low | 39.5 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -83.8 | 160.1 | -170.5 | -55.7 | 166.9 | 0 | 0 | 0 | 113 | | |
| 207 | N | 37.2 | Very low | 40.1 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | | | trans | 83.4 | 116 | 148.8 | -160.3 | 43.9 | 0 | 0 | 0 | 118.8 | | |
| 208 | G | 31.6 | Very low | 40.4 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 155.3 | 94 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 209 | Q | 34.3 | Very low | 40.8 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | 54.1 | 111.5 | 132 | -150.5 | 140.4 | -45.6 | 0 | 0 | 120.2 | | |
| 210 | S | 44.7 | Very low | 41.7 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | 40.1 | 107.9 | 149.3 | 59.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 211 | D | 33.7 | Very low | 41.9 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | | -167 | 132.7 | 127.4 | -98 | -43.2 | 0 | 0 | 0 | 110.7 | | |
| 212 | F | 34.1 | Very low | 42.6 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -59.1 | 135.9 | 172.5 | -83.2 | -100.6 | 0 | 0 | 0 | 109.3 | Y214 | F212-Y214 VanDerWaalsContact C-N 3.3Å; F212-Y214 PolarHBondContact O-N 3.48Å |
| 213 | P | 49.5 | Very low | 43.6 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | trans | -69.7 | 92.7 | 169.7 | 27.5 | -30.5 | 0 | 0 | 0 | 108.8 | L215 | P213-L215 HydrophobicContact CB-CD1 4.1Å; P213-L215 HydrophobicContact CB-CG 4.02Å; P213-L215 PolarHBondContact O-N 3.36Å |
| 214 | Y | 46.2 | Very low | 44.8 | Very low | 204 Ų | 204 | 130.2 Ų | 130.2 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | trans | -67.3 | 69.7 | 156.6 | -175 | -99.8 | 0 | 0 | 0 | 108.1 | F212 G216 | F212-Y214 VanDerWaalsContact C-N 3.3Å; F212-Y214 PolarHBondContact O-N 3.48Å; Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 PolarHBondContact O-N 3.17Å; Y214-G216 VanDerWaalsContact O-N 3.12Å |
| 215 | L | 50.4 | Low | 45.7 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 78.2 | 170.5 | -76.2 | 172.2 | 0 | 0 | 0 | 108.5 | P213 | P213-L215 HydrophobicContact CB-CD1 4.1Å; P213-L215 HydrophobicContact CB-CG 4.02Å; P213-L215 PolarHBondContact O-N 3.36Å |
| 216 | G | 43.9 | Very low | 47.3 | Very low | 39 Ų | 39 | 125.8 Ų | 125.8 | 40% | 0.402 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.9 | 6.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y214 F218 | Y214-G216 VanDerWaalsContact C-N 3.27Å; Y214-G216 PolarHBondContact O-N 3.17Å; Y214-G216 VanDerWaalsContact O-N 3.12Å; G216-F218 VanDerWaalsContact C-N 3.29Å; G216-F218 WeakPolarHBondContact O-CD2 3.41Å; G216-F218 PolarHBondContact O-N 2.91Å |
| 217 | A | 45 | Very low | 47.7 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -69.2 | 90.8 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 218 | F | 48.3 | Very low | 49.2 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | | | trans | -55.4 | 127.6 | 166.3 | -78.1 | -90.1 | 0 | 0 | 0 | 108.1 | G216 I220 | G216-F218 VanDerWaalsContact C-N 3.29Å; G216-F218 WeakPolarHBondContact O-CD2 3.41Å; G216-F218 PolarHBondContact O-N 2.91Å; F218-I220 PolarHBondContact O-N 3.36Å |
| 219 | P | 47.9 | Very low | 50.5 | Low | 95 Ų | 95 | 124.2 Ų | 124.2 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | | | trans | -61 | 114.6 | 176.6 | 24.4 | -31.1 | 0 | 0 | 0 | 107.8 | N221 | P219-N221 PolarHBondContact O-N 3.24Š|
| 220 | I | 53.2 | Low | 51.8 | Low | 156 Ų | 156 | 119.7 Ų | 119.7 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | | | trans | -69.7 | 80.3 | 177.8 | -49 | 170.2 | 0 | 0 | 0 | 106.9 | F218 | F218-I220 PolarHBondContact O-N 3.36Š|
| 221 | N | 45.6 | Very low | 52.4 | Low | 106 Ų | 106 | 116.6 Ų | 116.6 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | | | trans | -76.5 | 122.3 | 163 | -82.6 | -75.6 | 0 | 0 | 0 | 107.2 | P219 G223 L224 | P219-N221 PolarHBondContact O-N 3.24Å; N221-G223 PolarHBondContact O-N 3.23Å; N221-L224 PolarHBondContact O-N 2.82Å; N221-L224 VanDerWaalsContact O-N 3.14Å |
| 222 | P | 53.9 | Low | 53.6 | Low | 132 Ų | 132 | 112.8 Ų | 112.8 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 104.1 | 174.6 | 26.6 | -32 | 0 | 0 | 0 | 108.3 | | |
| 223 | G | 56.2 | Low | 54.9 | Low | 51 Ų | 51 | 108.4 Ų | 108.4 | 53% | 0.526 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 132.3 | -2.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N221 F225 | N221-G223 PolarHBondContact O-N 3.23Å; G223-F225 WeakPolarHBondContact O-CD2 3.44Å; G223-F225 PolarHBondContact O-N 3.2Å |
| 224 | L | 60.7 | Low | 55.7 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 42% | 0.419 | 61% | 0.614 | S | S | . | * | | | trans | -74 | 114.2 | 175.6 | -167.1 | 67.6 | 0 | 0 | 0 | 111.2 | N221 | N221-L224 PolarHBondContact O-N 2.82Å; N221-L224 VanDerWaalsContact O-N 3.14Å |
| 225 | F | 60.1 | Low | 56.3 | Low | 129 Ų | 129 | 99.6 Ų | 99.6 | 57% | 0.566 | 59% | 0.59 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.8 | 171.4 | -68.5 | -79.9 | 0 | 0 | 0 | 109.7 | G223 V232 L234 | G223-F225 WeakPolarHBondContact O-CD2 3.44Å; G223-F225 PolarHBondContact O-N 3.2Å; F225-V232 HydrophobicContact CB-CG1 3.57Å; F225-V232 HydrophobicContact CD1-CG1 3.94Å; F225-V232 HydrophobicContact CG-CG1 4.09Å; F225-L234 HydrophobicContact CD1-CD2 3.86Å; F225-L234 HydrophobicContact CD1-CG 4.13Å; F225-L234 HydrophobicContact CE1-CD2 3.4Å; F225-L234 HydrophobicContact CE1-CG 3.69Å; F225-L234 HydrophobicContact CE2-CD2 4.47Å; F225-L234 HydrophobicContact CZ-CD2 3.75Å; F225-L234 HydrophobicContact CZ-CG 4.45Å |
| 226 | I | 71.6 | Confident | 56.4 | Low | 77 Ų | 77 | 100 Ų | 100 | 40% | 0.395 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 116.7 | 177.6 | -55.6 | 177.3 | 0 | 0 | 0 | 108.2 | T228 V232 F233 | I226-T228 HydrophobicContact CG2-CG2 4.06Å; I226-T228 PolarHBondContact O-N 2.97Å; I226-V232 WeakPolarHBondContact O-CA 3.35Å; I226-F233 PolarHBondContact N-O 3.16Å; I226-F233 PolarHBondContact O-N 2.85Å |
| 227 | M | 53.6 | Low | 56.9 | Low | 163 Ų | 163 | 101 Ų | 101 | 80% | 0.803 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.1 | 99.9 | 175.3 | -166.4 | 162.4 | 74.2 | 0 | 0 | 109.3 | V232 | M227-V232 HydrophobicContact CB-CG2 4.17Å; M227-V232 HydrophobicContact CG-CG2 3.84Å; M227-V232 HydrophobicContact SD-CG2 4.27Å |
| 228 | T | 68.3 | Low | 57.4 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 159.3 | 171.4 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | I226 A230 G231 | I226-T228 HydrophobicContact CG2-CG2 4.06Å; I226-T228 PolarHBondContact O-N 2.97Å; T228-A230 PolarHBondContact O-N 2.95Å; T228-G231 PolarHBondContact N-O 3.3Å; T228-G231 PolarHBondContact O-N 3.37Å; T228-G231 PolarHBondContact OG1-O 3.25Å |
| 229 | P | 58.5 | Low | 57.7 | Low | 149 Ų | 149 | 96.6 Ų | 96.6 | 97% | 0.968 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -14.3 | 175.2 | -25.2 | 34.3 | 0 | 0 | 0 | 114.6 | | |
| 230 | A | 62.5 | Low | 58.1 | Low | 91 Ų | 91 | 99.9 Ų | 99.9 | 75% | 0.752 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -5.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T228 | T228-A230 PolarHBondContact O-N 2.95Š|
| 231 | G | 56.7 | Low | 57.9 | Low | 28 Ų | 28 | 99.2 Ų | 99.2 | 29% | 0.289 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 136.4 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T228 | T228-G231 PolarHBondContact N-O 3.3Å; T228-G231 PolarHBondContact O-N 3.37Å; T228-G231 PolarHBondContact OG1-O 3.25Å |
| 232 | V | 60.1 | Low | 58.3 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 50% | 0.503 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.1 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | F225 I226 M227 | F225-V232 HydrophobicContact CB-CG1 3.57Å; F225-V232 HydrophobicContact CD1-CG1 3.94Å; F225-V232 HydrophobicContact CG-CG1 4.09Å; I226-V232 WeakPolarHBondContact O-CA 3.35Å; M227-V232 HydrophobicContact CB-CG2 4.17Å; M227-V232 HydrophobicContact CG-CG2 3.84Å; M227-V232 HydrophobicContact SD-CG2 4.27Å |
| 233 | F | 61.8 | Low | 58.1 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 46% | 0.456 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.1 | 179.9 | -64.7 | -88.6 | 0 | 0 | 0 | 111.4 | I226 | I226-F233 PolarHBondContact N-O 3.16Å; I226-F233 PolarHBondContact O-N 2.85Å |
| 234 | L | 65.3 | Low | 57.6 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.4 | 139.2 | 169.1 | -77.2 | 165.6 | 0 | 0 | 0 | 109.5 | F225 E236 S237 A238 | F225-L234 HydrophobicContact CD1-CD2 3.86Å; F225-L234 HydrophobicContact CD1-CG 4.13Å; F225-L234 HydrophobicContact CE1-CD2 3.4Å; F225-L234 HydrophobicContact CE1-CG 3.69Å; F225-L234 HydrophobicContact CE2-CD2 4.47Å; F225-L234 HydrophobicContact CZ-CD2 3.75Å; F225-L234 HydrophobicContact CZ-CG 4.45Å; L234-E236 PolarHBondContact O-N 2.93Å; L234-S237 PolarHBondContact O-N 2.94Å; L234-S237 VanDerWaalsContact O-N 3.17Å; L234-S237 PolarHBondContact O-OG 2.98Å; L234-S237 VanDerWaalsContact O-OG 3.09Å; L234-A238 PolarHBondContact O-N 3.03Å |
| 235 | A | 58.3 | Low | 57 | Low | 36 Ų | 36 | 97.6 Ų | 97.6 | 30% | 0.298 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -55.2 | -29 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A238 L239 | A235-A238 PolarHBondContact O-N 3.03Å; A235-L239 PolarHBondContact O-N 3.36Å |
| 236 | E | 52.9 | Low | 56.2 | Low | 175 Ų | 175 | 100.1 Ų | 100.1 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.8 | -35.8 | -178.4 | -165.8 | 172.4 | -176.5 | 0 | 0 | 113.1 | L234 | L234-E236 PolarHBondContact O-N 2.93Å |
| 237 | S | 54.1 | Low | 54.6 | Low | 60 Ų | 60 | 104.8 Ų | 104.8 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -84.6 | -22 | 173.5 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | L234 M241 | L234-S237 PolarHBondContact O-N 2.94Å; L234-S237 VanDerWaalsContact O-N 3.17Å; L234-S237 PolarHBondContact O-OG 2.98Å; L234-S237 VanDerWaalsContact O-OG 3.09Å; S237-M241 WeakPolarHBondContact O-CG 3.18Å; S237-M241 PolarHBondContact O-N 3.36Å |
| 238 | A | 55.1 | Low | 54.3 | Low | 29 Ų | 29 | 103 Ų | 103 | 24% | 0.24 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -68.1 | -38.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L234 A235 M241 A242 | L234-A238 PolarHBondContact O-N 3.03Å; A235-A238 PolarHBondContact O-N 3.03Å; A238-M241 PolarHBondContact O-N 3.19Å; A238-A242 VanDerWaalsContact O-CB 3.22Å; A238-A242 WeakPolarHBondContact O-CB 3.3Å; A238-A242 PolarHBondContact O-N 3.21Å |
| 239 | L | 56.3 | Low | 53.5 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 70% | 0.702 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 178.5 | -165.5 | 68.5 | 0 | 0 | 0 | 112.2 | A235 M241 A242 G243 | A235-L239 PolarHBondContact O-N 3.36Å; L239-M241 PolarHBondContact O-N 2.83Å; L239-A242 PolarHBondContact O-N 3.15Å; L239-G243 PolarHBondContact O-N 2.74Å |
| 240 | H | 55.8 | Low | 52.9 | Low | 163 Ų | 163 | 105.2 Ų | 105.2 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.9 | -28.9 | 174.5 | -120.3 | 99.2 | 0 | 0 | 0 | 112.6 | | |
| 241 | M | 48.9 | Very low | 52.4 | Low | 142 Ų | 142 | 102.9 Ų | 102.9 | 70% | 0.7 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -88.6 | -29.5 | 173.5 | -67.3 | -66.5 | -70.2 | 0 | 0 | 113 | S237 A238 L239 L244 | S237-M241 WeakPolarHBondContact O-CG 3.18Å; S237-M241 PolarHBondContact O-N 3.36Å; A238-M241 PolarHBondContact O-N 3.19Å; L239-M241 PolarHBondContact O-N 2.83Å; M241-L244 PolarHBondContact O-N 2.7Å |
| 242 | A | 53.1 | Low | 52.2 | Low | 54 Ų | 54 | 107.6 Ų | 107.6 | 45% | 0.446 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -73.6 | -29.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A238 L239 L244 A245 | A238-A242 VanDerWaalsContact O-CB 3.22Å; A238-A242 WeakPolarHBondContact O-CB 3.3Å; A238-A242 PolarHBondContact O-N 3.21Å; L239-A242 PolarHBondContact O-N 3.15Å; A242-L244 PolarHBondContact O-N 2.98Å; A242-A245 WeakPolarHBondContact O-CB 3.33Å; A242-A245 PolarHBondContact O-N 3.45Å |
| 243 | G | 49.9 | Very low | 51.7 | Low | 63 Ų | 63 | 110.4 Ų | 110.4 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -10.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L239 | L239-G243 PolarHBondContact O-N 2.74Š|
| 244 | L | 46.9 | Very low | 51.1 | Low | 139 Ų | 139 | 108.2 Ų | 108.2 | 73% | 0.728 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -3.5 | 171.6 | -61.5 | -177.6 | 0 | 0 | 0 | 113.3 | M241 A242 | M241-L244 PolarHBondContact O-N 2.7Å; A242-L244 PolarHBondContact O-N 2.98Å |
| 245 | A | 47.1 | Very low | 50.5 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 66% | 0.661 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -15 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A242 Y247 | A242-A245 WeakPolarHBondContact O-CB 3.33Å; A242-A245 PolarHBondContact O-N 3.45Å; A245-Y247 VanDerWaalsContact C-N 3.34Å; A245-Y247 PolarHBondContact O-N 3.43Å |
| 246 | E | 43.9 | Very low | 50.2 | Low | 182 Ų | 182 | 108.7 Ų | 108.7 | 85% | 0.85 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -91.9 | 61.6 | 172.6 | -157.5 | 78.2 | -139.9 | 0 | 0 | 110.7 | | |
| 247 | Y | 37.4 | Very low | 50.3 | Low | 175 Ų | 175 | 107.7 Ų | 107.7 | 69% | 0.686 | 62% | 0.617 | S | S | * | * | | | trans | -148 | 123 | 164.9 | -143.9 | -130.5 | 0 | 0 | 0 | 109 | A245 M249 | A245-Y247 VanDerWaalsContact C-N 3.34Å; A245-Y247 PolarHBondContact O-N 3.43Å; Y247-M249 HydrophobicContact CD1-CB 3.36Å; Y247-M249 HydrophobicContact CD1-CG 3.28Å; Y247-M249 HydrophobicContact CE1-CB 3.91Å; Y247-M249 HydrophobicContact CE1-CG 3.31Å; Y247-M249 HydrophobicContact CG-CB 4.21Å; Y247-M249 HydrophobicContact CG-CG 4.21Å; Y247-M249 PolarHBondContact O-N 3.14Å |
| 248 | P | 46.6 | Very low | 50.1 | Low | 126 Ų | 126 | 106.9 Ų | 106.9 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 49.2 | 178.8 | 34.3 | -35.4 | 0 | 0 | 0 | 111 | | |
| 249 | M | 52 | Low | 50.1 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 35% | 0.345 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.9 | 4.6 | -170.4 | -86.6 | -69.1 | 136.7 | 0 | 0 | 115.1 | Y247 G251 E252 | Y247-M249 HydrophobicContact CD1-CB 3.36Å; Y247-M249 HydrophobicContact CD1-CG 3.28Å; Y247-M249 HydrophobicContact CE1-CB 3.91Å; Y247-M249 HydrophobicContact CE1-CG 3.31Å; Y247-M249 HydrophobicContact CG-CB 4.21Å; Y247-M249 HydrophobicContact CG-CG 4.21Å; Y247-M249 PolarHBondContact O-N 3.14Å; M249-G251 PolarHBondContact O-N 2.95Å; M249-E252 HydrophobicContact CE-CG 3.88Å; M249-E252 PolarHBondContact O-N 3.1Å; M249-E252 HydrophobicContact SD-CB 3.7Å; M249-E252 VanDerWaalsContact SD-CD 3.56Å; M249-E252 HydrophobicContact SD-CG 3.4Å; M249-E252 WeakPolarHBondContact SD-CG 3.37Å |
| 250 | Q | 45.5 | Very low | 50.1 | Low | 185 Ų | 185 | 107.9 Ų | 107.9 | 86% | 0.864 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.3 | -15.3 | 171.9 | -135.4 | -179.9 | -4.7 | 0 | 0 | 112.7 | | |
| 251 | G | 53.5 | Low | 50.7 | Low | 43 Ų | 43 | 109.9 Ų | 109.9 | 44% | 0.443 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.9 | -23.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M249 S255 K262 | M249-G251 PolarHBondContact O-N 2.95Å; G251-S255 PolarHBondContact O-OG 3.11Å; G251-K262 PolarHBondContact O-NZ 3.4Å |
| 252 | E | 52.4 | Low | 52.1 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -91.6 | -41.3 | -170.7 | -70.7 | -143.7 | 128.4 | 0 | 0 | 113.5 | M249 A254 S255 A256 | M249-E252 HydrophobicContact CE-CG 3.88Å; M249-E252 PolarHBondContact O-N 3.1Å; M249-E252 HydrophobicContact SD-CB 3.7Å; M249-E252 VanDerWaalsContact SD-CD 3.56Å; M249-E252 HydrophobicContact SD-CG 3.4Å; M249-E252 WeakPolarHBondContact SD-CG 3.37Å; E252-A254 PolarHBondContact O-N 3.31Å; E252-S255 WeakPolarHBondContact O-CA 3.39Å; E252-S255 WeakPolarHBondContact O-CB 3.46Å; E252-S255 PolarHBondContact O-N 2.74Å; E252-A256 PolarHBondContact O-N 3.46Å |
| 253 | L | 49.4 | Very low | 53.5 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -36.8 | 174.9 | -70.3 | 169.8 | 0 | 0 | 0 | 112 | S255 A256 | L253-S255 PolarHBondContact O-N 2.68Å; L253-A256 PolarHBondContact O-N 2.77Å |
| 254 | A | 48.7 | Very low | 55.4 | Low | 59 Ų | 59 | 116.5 Ų | 116.5 | 49% | 0.488 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -73.5 | 2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E252 K262 | E252-A254 PolarHBondContact O-N 3.31Å; A254-K262 PolarHBondContact O-NZ 2.91Å; A254-K262 VanDerWaalsContact O-NZ 3.08Å |
| 255 | S | 52 | Low | 57.5 | Low | 54 Ų | 54 | 118.9 Ų | 118.9 | 38% | 0.378 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -102 | -23.7 | 171.9 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | G251 E252 L253 K262 | G251-S255 PolarHBondContact O-OG 3.11Å; E252-S255 WeakPolarHBondContact O-CA 3.39Å; E252-S255 WeakPolarHBondContact O-CB 3.46Å; E252-S255 PolarHBondContact O-N 2.74Å; L253-S255 PolarHBondContact O-N 2.68Å; S255-K262 PolarHBondContact OG-NZ 2.93Å |
| 256 | A | 51.9 | Low | 59.8 | Low | 81 Ų | 81 | 124.3 Ų | 124.3 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.1 | -29.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E252 L253 | E252-A256 PolarHBondContact O-N 3.46Å; L253-A256 PolarHBondContact O-N 2.77Å |
| 257 | I | 55 | Low | 62.2 | Low | 154 Ų | 154 | 117.3 Ų | 117.3 | 79% | 0.79 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -94.3 | -5.1 | -179 | -20.5 | 177.9 | 0 | 0 | 0 | 112.5 | | |
| 258 | S | 51 | Low | 65 | Low | 44 Ų | 44 | 110.7 Ų | 110.7 | 31% | 0.308 | 60% | 0.602 | S | S | . | * | | | trans | -103.7 | 56.4 | 178.4 | 165.9 | 0 | 0 | 0 | 0 | 110.3 | G260 | S258-G260 PolarHBondContact O-N 2.93Å; S258-G260 VanDerWaalsContact O-N 3.07Å |
| 259 | S | 54.4 | Low | 67.3 | Low | 123 Ų | 123 | 111.6 Ų | 111.6 | 86% | 0.86 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -5.5 | 169.7 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | K261 | S259-K261 PolarHBondContact O-N 3.38Š|
| 260 | G | 56.5 | Low | 69.5 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 86.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S258 K262 | S258-G260 PolarHBondContact O-N 2.93Å; S258-G260 VanDerWaalsContact O-N 3.07Å; G260-K262 PolarHBondContact O-N 3.36Å; G260-K262 VanDerWaalsContact O-N 3.08Å |
| 261 | K | 67.6 | Low | 71.9 | Confident | 206 Ų | 206 | 102.1 Ų | 102.1 | 90% | 0.896 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 40.7 | 53.6 | 157.1 | -64.5 | 161.9 | -175.4 | 170.7 | 0 | 116.2 | S259 K263 | S259-K261 PolarHBondContact O-N 3.38Å; K261-K263 PolarHBondContact O-N 3.48Å |
| 262 | K | 78.8 | Confident | 74 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | | | trans | -55.7 | 125.2 | 169.1 | -168.6 | 164.7 | -178.5 | 169.2 | 0 | 110.3 | G251 A254 S255 G260 R264 | G251-K262 PolarHBondContact O-NZ 3.4Å; A254-K262 PolarHBondContact O-NZ 2.91Å; A254-K262 VanDerWaalsContact O-NZ 3.08Å; S255-K262 PolarHBondContact OG-NZ 2.93Å; G260-K262 PolarHBondContact O-N 3.36Å; G260-K262 VanDerWaalsContact O-N 3.08Å; K262-R264 PolarHBondContact O-N 3.33Å; K262-R264 VanDerWaalsContact O-N 3.08Å |
| 263 | K | 83.6 | Confident | 76.1 | Confident | 190 Ų | 190 | 95.5 Ų | 95.5 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | | | trans | -64.9 | 109.3 | -179.9 | -176.4 | 176.3 | -179 | 176.6 | 0 | 110 | K261 | K261-K263 PolarHBondContact O-N 3.48Š|
| 264 | R | 89.3 | Confident | 78.4 | Confident | 108 Ų | 108 | 95.7 Ų | 95.7 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -55 | 140 | 175 | -69.1 | -178.2 | -71.7 | 139.8 | -4.1 | 111.3 | K262 E302 L303 K305 | K262-R264 PolarHBondContact O-N 3.33Å; K262-R264 VanDerWaalsContact O-N 3.08Å; R264-E302 PolarHBondContact NH1-O 3.25Å; R264-L303 HydrophobicContact CB-CD2 3.71Å; R264-L303 PolarHBondContact NH2-O 3.43Å; R264-K305 PolarHBondContact NH1-O 3Å; R264-K305 PolarHBondContact NH2-O 3Å |
| 265 | K | 91.1 | Very high | 80.7 | Confident | 189 Ų | 189 | 98.1 Ų | 98.1 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 164.6 | 175.1 | -62 | -68.6 | -177.6 | 170 | 0 | 110.3 | | |
| 266 | R | 94.5 | Very high | 82.8 | Confident | 193 Ų | 193 | 106 Ų | 106 | 73% | 0.728 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -89.9 | 147.5 | 176.6 | 55.9 | 175.3 | 177.3 | -101.3 | -3.1 | 109.5 | G268 C300 L303 | R266-G268 VanDerWaalsContact C-N 3.34Å; R266-G268 PolarHBondContact O-N 3.23Å; R266-C300 HydrophobicContact CB-CB 4.16Å; R266-L303 HydrophobicContact CB-CD1 3.94Å |
| 267 | C | 95 | Very high | 84.9 | Confident | 36 Ų | 36 | 108.9 Ų | 108.9 | 24% | 0.243 | 53% | 0.532 | C | S | . | . | | | trans | -72.2 | -23.2 | -178.2 | 70.3 | 0 | 0 | 0 | 0 | 114.8 | M269 C270 C300 E302 | C267-M269 PolarHBondContact O-N 3.41Å; C267-C270 PolarHBondContact SG-N 2.94Å; C267-C270 VanDerWaalsContact SG-N 3.43Å; C267-C300 PolarHBondContact N-SG 3.45Å; C267-E302 HydrophobicContact CB-CG 4.37Å; C267-E302 WeakPolarHBondContact CB-OE1 3.29Å; C267-E302 VanDerWaalsContact CB-OE2 3.32Å; C267-E302 WeakPolarHBondContact CB-OE2 3.26Å |
| 268 | G | 95.3 | Very high | 86.8 | Confident | 35 Ų | 35 | 103.5 Ų | 103.5 | 36% | 0.361 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 77.7 | -24.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R266 | R266-G268 VanDerWaalsContact C-N 3.34Å; R266-G268 PolarHBondContact O-N 3.23Å |
| 269 | M | 96.3 | Very high | 89 | Confident | 145 Ų | 145 | 103.4 Ų | 103.4 | 71% | 0.714 | 50% | 0.504 | S | S | * | . | | | trans | -106.1 | -1.4 | -170 | -58.6 | -57.9 | -82.2 | 0 | 0 | 115.4 | C267 R274 | C267-M269 PolarHBondContact O-N 3.41Å; M269-R274 PolarHBondContact O-NH1 3.15Å; M269-R274 PolarHBondContact O-NH2 2.87Å; M269-R274 VanDerWaalsContact O-NH2 3.08Å |
| 270 | C | 96.8 | Very high | 91 | Very high | 11 Ų | 11 | 104.2 Ų | 104.2 | 7% | 0.074 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -84.5 | 157.1 | 171.9 | 67.5 | 0 | 0 | 0 | 0 | 111.6 | C267 P272 C273 R274 E301 | C267-C270 PolarHBondContact SG-N 2.94Å; C267-C270 VanDerWaalsContact SG-N 3.43Å; C270-P272 VanDerWaalsContact C-N 3.31Å; C270-C273 WeakPolarHBondContact O-CA 3.39Å; C270-C273 WeakPolarHBondContact O-CB 3.46Å; C270-C273 PolarHBondContact O-N 3.15Å; C270-C273 PolarHBondContact SG-SG 2.88Å; C270-R274 PolarHBondContact O-N 3.43Å; C270-R274 VanDerWaalsContact O-N 3.11Å; C270-E301 HydrophobicContact CB-CB 4.33Å; C270-E301 HydrophobicContact CB-CG 4.35Å |
| 271 | A | 96.5 | Very high | 93 | Very high | 45 Ų | 45 | 109.8 Ų | 109.8 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.2 | -40.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | C273 R274 | A271-C273 VanDerWaalsContact C-N 3.35Å; A271-C273 PolarHBondContact O-N 3.43Å; A271-R274 PolarHBondContact O-N 3.32Å |
| 272 | P | 97.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 100.6 Ų | 100.6 | 4% | 0.039 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 171 | -26.6 | 36.2 | 0 | 0 | 0 | 115.1 | C270 F297 R298 K299 E301 | C270-P272 VanDerWaalsContact C-N 3.31Å; P272-F297 WeakPolarHBondContact CA-O 3.23Å; P272-F297 WeakPolarHBondContact CB-O 3.29Å; P272-R298 WeakPolarHBondContact O-CA 3.48Å; P272-K299 VanDerWaalsContact CB-O 3.27Å; P272-K299 WeakPolarHBondContact CB-O 3.49Å; P272-E301 WeakPolarHBondContact CD-OE1 3.33Å; P272-E301 HydrophobicContact CG-CG 4.18Å |
| 273 | C | 97.4 | Very high | 95.2 | Very high | 25 Ų | 25 | 99.9 Ų | 99.9 | 17% | 0.169 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -72.4 | -34.7 | 179.9 | -81.2 | 0 | 0 | 0 | 0 | 113.1 | C270 A271 R275 C300 | C270-C273 WeakPolarHBondContact O-CA 3.39Å; C270-C273 WeakPolarHBondContact O-CB 3.46Å; C270-C273 PolarHBondContact O-N 3.15Å; C270-C273 PolarHBondContact SG-SG 2.88Å; A271-C273 VanDerWaalsContact C-N 3.35Å; A271-C273 PolarHBondContact O-N 3.43Å; C273-R275 VanDerWaalsContact C-N 3.25Å; C273-R275 PolarHBondContact O-N 3.14Å; C273-C300 VanDerWaalsContact SG-CB 3.52Å |
| 274 | R | 97 | Very high | 95.9 | Very high | 146 Ų | 146 | 92.1 Ų | 92.1 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70 | -20.4 | 177.8 | -72.2 | -171 | -82.3 | -94.4 | -5.9 | 113.4 | M269 C270 A271 R276 | M269-R274 PolarHBondContact O-NH1 3.15Å; M269-R274 PolarHBondContact O-NH2 2.87Å; M269-R274 VanDerWaalsContact O-NH2 3.08Å; C270-R274 PolarHBondContact O-N 3.43Å; C270-R274 VanDerWaalsContact O-N 3.11Å; A271-R274 PolarHBondContact O-N 3.32Å; R274-R276 PolarHBondContact O-N 3.34Å |
| 275 | R | 96.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 87.4 Ų | 87.4 | 42% | 0.415 | 43% | 0.427 | S | S | . | . | | | trans | -68.6 | 116.9 | 177.8 | -70.7 | -177.2 | -176.5 | 100.9 | 6.8 | 111.8 | C273 F297 R298 | C273-R275 VanDerWaalsContact C-N 3.25Å; C273-R275 PolarHBondContact O-N 3.14Å; R275-F297 PolarHBondContact NH1-O 3.34Å; R275-R298 HydrophobicContact CB-CG 4.04Å; R275-R298 PolarHBondContact O-NE 3.33Å; R275-R298 PolarHBondContact O-NH2 3.29Å |
| 276 | R | 96.3 | Very high | 96.5 | Very high | 218 Ų | 218 | 88.8 Ų | 88.8 | 82% | 0.823 | 43% | 0.427 | S | S | * | . | | | trans | -81.7 | -40.9 | 175.9 | -60.4 | -63.6 | -176.9 | 175 | -0.3 | 112.3 | R274 R298 | R274-R276 PolarHBondContact O-N 3.34Å; R276-R298 VanDerWaalsContact O-CZ 3.3Å; R276-R298 PolarHBondContact O-NH2 3.46Å |
| 277 | I | 96 | Very high | 96.6 | Very high | 142 Ų | 142 | 84.1 Ų | 84.1 | 73% | 0.728 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -89.3 | 152.7 | -178.6 | 63.4 | 172.1 | 0 | 0 | 0 | 112.4 | R298 | I277-R298 VanDerWaalsContact O-CD 3.3Å; I277-R298 WeakPolarHBondContact O-CD 3.39Å |
| 278 | N | 96.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 87.3 Ų | 87.3 | 22% | 0.219 | 42% | 0.423 | C | S | . | . | | | trans | -87.9 | 150.3 | 174.4 | -61.9 | -72.2 | 0 | 0 | 0 | 110.2 | E280 R288 C295 R298 | N278-E280 PolarHBondContact O-N 3.03Å; N278-R288 VanDerWaalsContact CG-NH1 3.34Å; N278-R288 PolarHBondContact ND2-NH1 3.01Å; N278-R288 VanDerWaalsContact ND2-NH1 3.17Å; N278-R288 PolarHBondContact OD1-NH1 3.41Å; N278-R288 PolarHBondContact OD1-NH2 3.47Å; N278-C295 HydrophobicContact CB-CB 4.41Å; N278-R298 VanDerWaalsContact OD1-CD 3.27Å; N278-R298 WeakPolarHBondContact OD1-CD 3.43Å; N278-R298 PolarHBondContact OD1-NH1 3.06Å |
| 279 | C | 96.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 95.3 Ų | 95.3 | 29% | 0.291 | 45% | 0.448 | S | S | . | . | | | trans | -74.6 | -15.2 | -179.5 | 76.9 | 0 | 0 | 0 | 0 | 114.2 | Q281 C282 C285 C295 F297 | C279-Q281 WeakPolarHBondContact O-CG 3.49Å; C279-Q281 PolarHBondContact O-N 3.47Å; C279-C282 PolarHBondContact SG-N 3.25Å; C279-C282 VanDerWaalsContact SG-N 3.4Å; C279-C282 VanDerWaalsContact SG-SG 3.61Å; C279-C285 VanDerWaalsContact SG-SG 3.67Å; C279-C295 PolarHBondContact SG-SG 3.13Å; C279-F297 HydrophobicContact CB-CD2 3.54Å; C279-F297 HydrophobicContact CB-CE2 4.06Å; C279-F297 HydrophobicContact CB-CG 4.44Å; C279-F297 WeakPolarHBondContact SG-CD2 3.47Å |
| 280 | E | 96.3 | Very high | 96.5 | Very high | 139 Ų | 139 | 94 Ų | 94 | 65% | 0.65 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 60.5 | -23.4 | -177.1 | -66.5 | 173.1 | -171.1 | 0 | 0 | 117.2 | N278 C285 | N278-E280 PolarHBondContact O-N 3.03Å; E280-C285 VanDerWaalsContact C-CB 3.5Å; E280-C285 VanDerWaalsContact O-CB 3.3Å; E280-C285 WeakPolarHBondContact O-CB 3.46Å |
| 281 | Q | 97.8 | Very high | 96.3 | Very high | 178 Ų | 178 | 95.2 Ų | 95.2 | 83% | 0.832 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -92.7 | -14.9 | -175.4 | -53.1 | -58.8 | 9.4 | 0 | 0 | 115.9 | C279 | C279-Q281 WeakPolarHBondContact O-CG 3.49Å; C279-Q281 PolarHBondContact O-N 3.47Å |
| 282 | C | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 101.2 Ų | 101.2 | 9% | 0.088 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -78.7 | 158.2 | 179.9 | 78.3 | 0 | 0 | 0 | 0 | 111.6 | C279 S284 C285 R286 K296 F297 | C279-C282 PolarHBondContact SG-N 3.25Å; C279-C282 VanDerWaalsContact SG-N 3.4Å; C279-C282 VanDerWaalsContact SG-SG 3.61Å; C282-S284 VanDerWaalsContact C-N 3.3Å; C282-S284 PolarHBondContact O-N 3.19Å; C282-C285 WeakPolarHBondContact O-CA 3.5Å; C282-C285 WeakPolarHBondContact O-CB 3.46Å; C282-C285 PolarHBondContact O-N 3.17Å; C282-C285 PolarHBondContact SG-SG 3.46Å; C282-R286 PolarHBondContact O-N 3.47Å; C282-K296 HydrophobicContact CB-CB 3.92Å; C282-K296 PolarHBondContact SG-N 3.27Å; C282-K296 VanDerWaalsContact SG-N 3.39Å; C282-F297 HydrophobicContact CB-CE2 4.3Å |
| 283 | S | 96.4 | Very high | 96 | Very high | 84 Ų | 84 | 106.4 Ų | 106.4 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -51.2 | -44.9 | 178.4 | 57 | 0 | 0 | 0 | 0 | 113.5 | C285 R286 N287 | S283-C285 PolarHBondContact O-N 3.21Å; S283-R286 PolarHBondContact O-N 3.07Å; S283-N287 PolarHBondContact O-N 3.07Å; S283-N287 PolarHBondContact O-OD1 3.17Å |
| 284 | S | 97 | Very high | 95.9 | Very high | 28 Ų | 28 | 108.8 Ų | 108.8 | 20% | 0.196 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -62 | -27.9 | 175.8 | -47 | 0 | 0 | 0 | 0 | 113.6 | C282 | C282-S284 VanDerWaalsContact C-N 3.3Å; C282-S284 PolarHBondContact O-N 3.19Å |
| 285 | C | 97.4 | Very high | 95.9 | Very high | 9 Ų | 9 | 101.9 Ų | 101.9 | 6% | 0.061 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -79.5 | -42.3 | 174.1 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | C279 E280 C282 S283 N287 R288 | C279-C285 VanDerWaalsContact SG-SG 3.67Å; E280-C285 VanDerWaalsContact C-CB 3.5Å; E280-C285 VanDerWaalsContact O-CB 3.3Å; E280-C285 WeakPolarHBondContact O-CB 3.46Å; C282-C285 WeakPolarHBondContact O-CA 3.5Å; C282-C285 WeakPolarHBondContact O-CB 3.46Å; C282-C285 PolarHBondContact O-N 3.17Å; C282-C285 PolarHBondContact SG-SG 3.46Å; S283-C285 PolarHBondContact O-N 3.21Å; C285-N287 VanDerWaalsContact C-N 3.26Å; C285-N287 PolarHBondContact O-N 3.41Å; C285-R288 WeakPolarHBondContact O-CB 3.43Å; C285-R288 WeakPolarHBondContact O-CD 3.36Å; C285-R288 WeakPolarHBondContact O-CG 3.4Å; C285-R288 PolarHBondContact O-N 3.24Å; C285-R288 PolarHBondContact SG-NH2 2.99Å |
| 286 | R | 97 | Very high | 95.9 | Very high | 217 Ų | 217 | 103.3 Ų | 103.3 | 82% | 0.819 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -34.4 | 178.4 | -167.4 | 173.4 | 178.6 | 164.6 | -0.9 | 112.2 | C282 S283 | C282-R286 PolarHBondContact O-N 3.47Å; S283-R286 PolarHBondContact O-N 3.07Å |
| 287 | N | 96.8 | Very high | 96 | Very high | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 31.9 | 178 | -60.5 | 92.9 | 0 | 0 | 0 | 113.3 | S283 C285 K289 T290 G291 | S283-N287 PolarHBondContact O-N 3.07Å; S283-N287 PolarHBondContact O-OD1 3.17Å; C285-N287 VanDerWaalsContact C-N 3.26Å; C285-N287 PolarHBondContact O-N 3.41Å; N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 3.4Å; N287-T290 PolarHBondContact O-N 2.82Å; N287-T290 VanDerWaalsContact O-N 3.15Å; N287-G291 PolarHBondContact O-N 3.46Å |
| 288 | R | 93.9 | Very high | 96 | Very high | 104 Ų | 104 | 94.4 Ų | 94.4 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -52.7 | -39.6 | -176.7 | -94.8 | 167.3 | -169.2 | -75.4 | -27.1 | 114.7 | N278 C285 T290 | N278-R288 VanDerWaalsContact CG-NH1 3.34Å; N278-R288 PolarHBondContact ND2-NH1 3.01Å; N278-R288 VanDerWaalsContact ND2-NH1 3.17Å; N278-R288 PolarHBondContact OD1-NH1 3.41Å; N278-R288 PolarHBondContact OD1-NH2 3.47Å; C285-R288 WeakPolarHBondContact O-CB 3.43Å; C285-R288 WeakPolarHBondContact O-CD 3.36Å; C285-R288 WeakPolarHBondContact O-CG 3.4Å; C285-R288 PolarHBondContact O-N 3.24Å; C285-R288 PolarHBondContact SG-NH2 2.99Å; R288-T290 VanDerWaalsContact C-N 3.26Å; R288-T290 PolarHBondContact O-N 3.43Å |
| 289 | K | 93.8 | Very high | 96 | Very high | 203 Ų | 203 | 95.9 Ų | 95.9 | 88% | 0.883 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66 | -28.1 | -176.5 | -166.5 | 173.2 | -177.3 | -179.8 | 0 | 113 | N287 | N287-K289 VanDerWaalsContact C-N 3.27Å; N287-K289 PolarHBondContact O-N 3.4Å |
| 290 | T | 95.4 | Very high | 96 | Very high | 118 Ų | 118 | 94 Ų | 94 | 72% | 0.724 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -116.2 | -31.7 | -171.9 | -46.1 | 0 | 0 | 0 | 0 | 112.9 | N287 R288 | N287-T290 PolarHBondContact O-N 2.82Å; N287-T290 VanDerWaalsContact O-N 3.15Å; R288-T290 VanDerWaalsContact C-N 3.26Å; R288-T290 PolarHBondContact O-N 3.43Å |
| 291 | G | 93.1 | Very high | 96 | Very high | 35 Ų | 35 | 91.9 Ų | 91.9 | 36% | 0.361 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -79.3 | -23.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N287 Q293 | N287-G291 PolarHBondContact O-N 3.46Å; G291-Q293 WeakPolarHBondContact O-CG 3.37Å; G291-Q293 PolarHBondContact O-N 3.5Å |
| 292 | H | 93.6 | Very high | 95.7 | Very high | 171 Ų | 171 | 88.5 Ų | 88.5 | 79% | 0.792 | 43% | 0.426 | S | S | * | . | | | trans | 46.7 | 20.4 | -171.4 | -62.7 | 156.3 | 0 | 0 | 0 | 115 | | |
| 293 | Q | 95 | Very high | 95.3 | Very high | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 43% | 0.433 | S | S | . | . | | | trans | -94.2 | 141.6 | 178.7 | -65.6 | -58.5 | -1.4 | 0 | 0 | 110.6 | G291 | G291-Q293 WeakPolarHBondContact O-CG 3.37Å; G291-Q293 PolarHBondContact O-N 3.5Å |
| 294 | I | 94.6 | Very high | 94.9 | Very high | 75 Ų | 75 | 91.4 Ų | 91.4 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | | | trans | -65.6 | 146.8 | 169.4 | -170.3 | 167 | 0 | 0 | 0 | 110.1 | K296 R298 K299 | I294-K296 PolarHBondContact O-N 3.06Å; I294-R298 HydrophobicContact CD1-CB 3.95Å; I294-R298 WeakPolarHBondContact CD1-O 3.44Å; I294-R298 HydrophobicContact CG1-CB 3.89Å; I294-K299 HydrophobicContact CG2-CB 4.02Å; I294-K299 HydrophobicContact CG2-CD 3.34Å; I294-K299 HydrophobicContact CG2-CG 4.29Å |
| 295 | C | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 97 Ų | 97 | 1% | 0.007 | 45% | 0.449 | C | S | . | . | | | trans | -45.6 | 135.8 | 172.2 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | N278 C279 F297 R298 K299 | N278-C295 HydrophobicContact CB-CB 4.41Å; C279-C295 PolarHBondContact SG-SG 3.13Å; C295-F297 PolarHBondContact O-N 3.2Å; C295-F297 VanDerWaalsContact O-N 3.15Å; C295-R298 HydrophobicContact CB-CB 4.06Å; C295-R298 HydrophobicContact CB-CG 3.93Å; C295-R298 CarbonylContact O-C 3.56Å; C295-R298 WeakPolarHBondContact O-CA 3.49Å; C295-R298 PolarHBondContact O-N 3.02Å; C295-K299 PolarHBondContact O-N 3.1Å; C295-K299 VanDerWaalsContact O-N 3.09Å |
| 296 | K | 96.5 | Very high | 93 | Very high | 139 Ų | 139 | 105.7 Ų | 105.7 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -52.7 | -39.1 | -179.1 | -172.1 | 176.4 | 179.7 | -177.7 | 0 | 112.4 | C282 I294 R298 | C282-K296 HydrophobicContact CB-CB 3.92Å; C282-K296 PolarHBondContact SG-N 3.27Å; C282-K296 VanDerWaalsContact SG-N 3.39Å; I294-K296 PolarHBondContact O-N 3.06Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.16Å |
| 297 | F | 97 | Very high | 91.6 | Very high | 107 Ų | 107 | 100 Ų | 100 | 47% | 0.469 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -82.1 | -6.3 | 179.6 | -60.6 | -79 | 0 | 0 | 0 | 114.8 | P272 R275 C279 C282 C295 | P272-F297 WeakPolarHBondContact CA-O 3.23Å; P272-F297 WeakPolarHBondContact CB-O 3.29Å; R275-F297 PolarHBondContact NH1-O 3.34Å; C279-F297 HydrophobicContact CB-CD2 3.54Å; C279-F297 HydrophobicContact CB-CE2 4.06Å; C279-F297 HydrophobicContact CB-CG 4.44Å; C279-F297 WeakPolarHBondContact SG-CD2 3.47Å; C282-F297 HydrophobicContact CB-CE2 4.3Å; C295-F297 PolarHBondContact O-N 3.2Å; C295-F297 VanDerWaalsContact O-N 3.15Å |
| 298 | R | 97.1 | Very high | 89.6 | Confident | 66 Ų | 66 | 100.3 Ų | 100.3 | 25% | 0.249 | 49% | 0.487 | C | S | . | . | G | 310 helix | trans | -109.1 | -3.2 | 175.4 | -59.8 | -179.2 | 73.7 | -162.7 | 0.9 | 113.2 | P272 R275 R276 I277 N278 I294 C295 K296 C300 | P272-R298 WeakPolarHBondContact O-CA 3.48Å; R275-R298 HydrophobicContact CB-CG 4.04Å; R275-R298 PolarHBondContact O-NE 3.33Å; R275-R298 PolarHBondContact O-NH2 3.29Å; R276-R298 VanDerWaalsContact O-CZ 3.3Å; R276-R298 PolarHBondContact O-NH2 3.46Å; I277-R298 VanDerWaalsContact O-CD 3.3Å; I277-R298 WeakPolarHBondContact O-CD 3.39Å; N278-R298 VanDerWaalsContact OD1-CD 3.27Å; N278-R298 WeakPolarHBondContact OD1-CD 3.43Å; N278-R298 PolarHBondContact OD1-NH1 3.06Å; I294-R298 HydrophobicContact CD1-CB 3.95Å; I294-R298 WeakPolarHBondContact CD1-O 3.44Å; I294-R298 HydrophobicContact CG1-CB 3.89Å; C295-R298 HydrophobicContact CB-CB 4.06Å; C295-R298 HydrophobicContact CB-CG 3.93Å; C295-R298 CarbonylContact O-C 3.56Å; C295-R298 WeakPolarHBondContact O-CA 3.49Å; C295-R298 PolarHBondContact O-N 3.02Å; K296-R298 VanDerWaalsContact C-N 3.33Å; K296-R298 PolarHBondContact O-N 3.16Å; R298-C300 PolarHBondContact O-N 2.95Å |
| 299 | K | 96.1 | Very high | 87.7 | Confident | 72 Ų | 72 | 99.3 Ų | 99.3 | 31% | 0.313 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -67.8 | 115.6 | 175.6 | -172 | 80.4 | 173.8 | -155.3 | 0 | 109.1 | P272 I294 C295 K304 | P272-K299 VanDerWaalsContact CB-O 3.27Å; P272-K299 WeakPolarHBondContact CB-O 3.49Å; I294-K299 HydrophobicContact CG2-CB 4.02Å; I294-K299 HydrophobicContact CG2-CD 3.34Å; I294-K299 HydrophobicContact CG2-CG 4.29Å; C295-K299 PolarHBondContact O-N 3.1Å; C295-K299 VanDerWaalsContact O-N 3.09Å; K299-K304 HydrophobicContact CB-CG 4.46Å; K299-K304 HydrophobicContact CG-CD 4.43Å; K299-K304 HydrophobicContact CG-CG 3.69Å; K299-K304 WeakPolarHBondContact O-CE 3.28Å; K299-K304 PolarHBondContact O-NZ 3.1Å |
| 300 | C | 96.8 | Very high | 85.6 | Confident | 4 Ų | 4 | 94.8 Ų | 94.8 | 3% | 0.027 | 50% | 0.501 | C | S | . | . | | | trans | -54.7 | 138 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | R266 C267 C273 R298 L303 K304 | R266-C300 HydrophobicContact CB-CB 4.16Å; C267-C300 PolarHBondContact N-SG 3.45Å; C273-C300 VanDerWaalsContact SG-CB 3.52Å; R298-C300 PolarHBondContact O-N 2.95Å; C300-L303 HydrophobicContact CB-CB 3.99Å; C300-L303 HydrophobicContact CB-CD1 3.58Å; C300-L303 HydrophobicContact CB-CG 4.22Å; C300-L303 PolarHBondContact O-N 3.22Å; C300-K304 WeakPolarHBondContact O-CG 3.36Å; C300-K304 PolarHBondContact O-N 3.09Å; C300-K304 VanDerWaalsContact O-N 3.07Å |
| 301 | E | 95.3 | Very high | 83.4 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -42.4 | -176.7 | -74.9 | 161.3 | -163.9 | 0 | 0 | 112.5 | C270 P272 L303 K304 K305 | C270-E301 HydrophobicContact CB-CB 4.33Å; C270-E301 HydrophobicContact CB-CG 4.35Å; P272-E301 WeakPolarHBondContact CD-OE1 3.33Å; P272-E301 HydrophobicContact CG-CG 4.18Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 2.81Å; E301-K304 WeakPolarHBondContact O-CB 3.29Å; E301-K304 PolarHBondContact O-N 3.23Å; E301-K304 VanDerWaalsContact O-N 3.08Å; E301-K305 PolarHBondContact O-N 3.39Å |
| 302 | E | 91.6 | Very high | 81.6 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -31.1 | 174.4 | -68.6 | 172.4 | -152.9 | 0 | 0 | 113.5 | R264 C267 | R264-E302 PolarHBondContact NH1-O 3.25Å; C267-E302 HydrophobicContact CB-CG 4.37Å; C267-E302 WeakPolarHBondContact CB-OE1 3.29Å; C267-E302 VanDerWaalsContact CB-OE2 3.32Å; C267-E302 WeakPolarHBondContact CB-OE2 3.26Å |
| 303 | L | 90.1 | Very high | 79.4 | Confident | 43 Ų | 43 | 101.1 Ų | 101.1 | 23% | 0.225 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -76.2 | -24.4 | 175.3 | -83.2 | 152.7 | 0 | 0 | 0 | 112.6 | R264 R266 C300 E301 | R264-L303 HydrophobicContact CB-CD2 3.71Å; R264-L303 PolarHBondContact NH2-O 3.43Å; R266-L303 HydrophobicContact CB-CD1 3.94Å; C300-L303 HydrophobicContact CB-CB 3.99Å; C300-L303 HydrophobicContact CB-CD1 3.58Å; C300-L303 HydrophobicContact CB-CG 4.22Å; C300-L303 PolarHBondContact O-N 3.22Å; E301-L303 VanDerWaalsContact C-N 3.27Å; E301-L303 PolarHBondContact O-N 2.81Å |
| 304 | K | 86.6 | Confident | 77.3 | Confident | 114 Ų | 114 | 101 Ų | 101 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.2 | -33.3 | 174.9 | -71.6 | 172.3 | -179 | 166 | 0 | 111.7 | K299 C300 E301 K306 | K299-K304 HydrophobicContact CB-CG 4.46Å; K299-K304 HydrophobicContact CG-CD 4.43Å; K299-K304 HydrophobicContact CG-CG 3.69Å; K299-K304 WeakPolarHBondContact O-CE 3.28Å; K299-K304 PolarHBondContact O-NZ 3.1Å; C300-K304 WeakPolarHBondContact O-CG 3.36Å; C300-K304 PolarHBondContact O-N 3.09Å; C300-K304 VanDerWaalsContact O-N 3.07Å; E301-K304 WeakPolarHBondContact O-CB 3.29Å; E301-K304 PolarHBondContact O-N 3.23Å; E301-K304 VanDerWaalsContact O-N 3.08Å; K304-K306 PolarHBondContact O-N 3.04Å |
| 305 | K | 85.3 | Confident | 75.3 | Confident | 147 Ų | 147 | 105.6 Ų | 105.6 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -57 | 129.9 | 171.7 | -62.2 | 179 | -176.4 | 179.7 | 0 | 107.4 | R264 E301 | R264-K305 PolarHBondContact NH1-O 3Å; R264-K305 PolarHBondContact NH2-O 3Å; E301-K305 PolarHBondContact O-N 3.39Å |
| 306 | K | 69.9 | Low | 72.9 | Confident | 190 Ų | 190 | 113.6 Ų | 113.6 | 83% | 0.826 | 59% | 0.585 | S | S | * | * | | | trans | -49 | 138.9 | 168.4 | -66.7 | 178.9 | -178.3 | 178.6 | 0 | 106 | K304 S308 | K304-K306 PolarHBondContact O-N 3.04Å; K306-S308 PolarHBondContact O-N 3.48Å |
| 307 | P | 67.9 | Low | 71 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 63% | 0.63 | 59% | 0.586 | S | S | * | * | | | trans | -59.8 | 92.6 | 169.7 | 25.7 | -29.6 | 0 | 0 | 0 | 105.7 | A309 | P307-A309 PolarHBondContact O-N 2.85Š|
| 308 | S | 53.7 | Low | 68.9 | Low | 103 Ų | 103 | 112.9 Ų | 112.9 | 72% | 0.72 | 60% | 0.603 | S | S | * | * | | | trans | -62.7 | 110.4 | 170.4 | 176.8 | 0 | 0 | 0 | 0 | 102.5 | K306 A310 | K306-S308 PolarHBondContact O-N 3.48Å; S308-A310 PolarHBondContact O-N 3.42Å |
| 309 | A | 54.3 | Low | 66.8 | Low | 82 Ų | 82 | 113.6 Ų | 113.6 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | | | trans | -48.9 | 112.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105 | P307 L311 | P307-A309 PolarHBondContact O-N 2.85Å; A309-L311 PolarHBondContact O-N 3.07Å |
| 310 | A | 50.8 | Low | 64.7 | Low | 108 Ų | 108 | 114.2 Ų | 114.2 | 89% | 0.893 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -72.1 | 57.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S308 | S308-A310 PolarHBondContact O-N 3.42Š|
| 311 | L | 49.8 | Very low | 62.5 | Low | 119 Ų | 119 | 118.7 Ų | 118.7 | 62% | 0.623 | 69% | 0.686 | S | S | * | * | | | trans | -156.2 | 57.7 | 171.7 | -146.7 | -174.3 | 0 | 0 | 0 | 108.2 | A309 V314 | A309-L311 PolarHBondContact O-N 3.07Å; L311-V314 HydrophobicContact CD2-CB 4.21Å; L311-V314 HydrophobicContact CD2-CG2 4.5Å |
| 312 | E | 53.4 | Low | 60.2 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -79.4 | 138.8 | 138.5 | -162.4 | -167.2 | 137.8 | 0 | 0 | 105 | | |
| 313 | K | 48.8 | Very low | 59 | Low | 177 Ų | 177 | 130.1 Ų | 130.1 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 99 | 18.3 | 165.4 | -123.6 | 82.4 | 179.3 | -169.7 | 0 | 121.9 | | |
| 314 | V | 51.3 | Low | 56.9 | Low | 115 Ų | 115 | 139.2 Ų | 139.2 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -135.4 | 94.7 | 152.7 | -157.3 | 0 | 0 | 0 | 0 | 109.5 | L311 | L311-V314 HydrophobicContact CD2-CB 4.21Å; L311-V314 HydrophobicContact CD2-CG2 4.5Å |
| 315 | M | 51.3 | Low | 54.7 | Low | 170 Ų | 170 | 143.1 Ų | 143.1 | 84% | 0.837 | 78% | 0.776 | S | S | * | * | | | trans | 42.4 | 96.4 | 152.4 | -148.3 | 165 | 77.7 | 0 | 0 | 117.6 | | |
| 316 | L | 48 | Very low | 52.8 | Low | 170 Ų | 170 | 148.5 Ų | 148.5 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -122.8 | 101.8 | 153.2 | -139.3 | 80.7 | 0 | 0 | 0 | 108.9 | | |
| 317 | P | 56.7 | Low | 51.9 | Low | 96 Ų | 96 | 146.5 Ų | 146.5 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | | | trans | -79 | 147.1 | 164.2 | 32.3 | -27.2 | 0 | 0 | 0 | 109.2 | | |
| 318 | T | 52 | Low | 51.1 | Low | 135 Ų | 135 | 149.1 Ų | 149.1 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 87.7 | 116.6 | 159.7 | -49.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 319 | G | 54 | Low | 51 | Low | 80 Ų | 80 | 151.6 Ų | 151.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -63.4 | 139.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 320 | A | 51.3 | Low | 50.8 | Low | 86 Ų | 86 | 155.7 Ų | 155.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | -131.7 | 119.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | F322 | A320-F322 PolarHBondContact O-N 3.15Š|
| 321 | A | 51.4 | Low | 50.8 | Low | 97 Ų | 97 | 158.7 Ų | 158.7 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -70.2 | 119.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R323 | A321-R323 PolarHBondContact O-N 3.08Å; A321-R323 VanDerWaalsContact O-N 3.1Å |
| 322 | F | 46.6 | Very low | 50.8 | Low | 210 Ų | 210 | 161.3 Ų | 161.3 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | | | trans | -65.9 | 107 | 174.6 | -76.7 | -91.7 | 0 | 0 | 0 | 110 | A320 W324 | A320-F322 PolarHBondContact O-N 3.15Å; F322-W324 PolarHBondContact O-N 3.42Å |
| 323 | R | 65.9 | Low | 50.6 | Low | 233 Ų | 233 | 161.4 Ų | 161.4 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | | | trans | -88 | 98.6 | 169 | -61.3 | -173.8 | 73 | -145.5 | 1.1 | 108.5 | A321 | A321-R323 PolarHBondContact O-N 3.08Å; A321-R323 VanDerWaalsContact O-N 3.1Å |
| 324 | W | 46.7 | Very low | 50.8 | Low | 234 Ų | 234 | 160.2 Ų | 160.2 | 89% | 0.886 | 84% | 0.844 | S | S | * | * | | | trans | -103.8 | 138.9 | 157.9 | -148.2 | -37.8 | 0 | 0 | 0 | 107.3 | F322 | F322-W324 PolarHBondContact O-N 3.42Š|
| 325 | F | 40 | Very low | 50.7 | Low | 195 Ų | 195 | 163.9 Ų | 163.9 | 86% | 0.855 | 86% | 0.856 | S | S | * | * | | | trans | 107.4 | 101.8 | 178.5 | -67.1 | -76.1 | 0 | 0 | 0 | 113.9 | | |
| 326 | Q | 45.1 | Very low | 50.7 | Low | 261 Ų | 261 | 163.4 Ų | 163.4 | 100% | 1.22 | 86% | 0.858 | S | S | * | * | | | trans | -125.3 | 0 | 149.8 | -175.3 | 153.1 | 90.9 | 0 | 0 | 106.7 | | |