| 1 | M | 35.5 | Very low | 40.5 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 100% | 1.113 | 81% | 0.814 | S | S | * | * | | | | 0 | 132.7 | 0 | -71.3 | 167.6 | 167.9 | 0 | 0 | 107.2 | | |
| 2 | F | 42.7 | Very low | 40.8 | Very low | 193 Ų | 193 | 144.9 Ų | 144.9 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | 34.1 | 96.1 | 171.3 | -53.7 | -73.4 | 0 | 0 | 0 | 116.8 | | |
| 3 | S | 35.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | cis | 77.2 | 134.1 | 44.1 | -46.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 4 | S | 38.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -84.8 | 167.6 | -162.4 | -38.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 5 | T | 52.8 | Low | 40.9 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -132.3 | 128.6 | 166 | -21.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 6 | S | 40.9 | Very low | 40.7 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -108.9 | -152.1 | 162 | -42.7 | 0 | 0 | 0 | 0 | 107 | | |
| 7 | P | 47.2 | Very low | 40.4 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | cis | -113.5 | -178.5 | -6.9 | 41.9 | -24.6 | 0 | 0 | 0 | 111.1 | | |
| 8 | I | 39 | Very low | 40.4 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | | | cis | 63.1 | 106.7 | 43.8 | -47.6 | 173.7 | 0 | 0 | 0 | 115.1 | | |
| 9 | N | 39.2 | Very low | 40.1 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | | -165.2 | 175.7 | 128.5 | -133.2 | -29.6 | 0 | 0 | 0 | 113.9 | | |
| 10 | S | 36.4 | Very low | 39.8 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 62% | 0.615 | 81% | 0.809 | S | S | * | * | | | trans | -141.2 | 170.4 | -167.4 | -52.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 11 | N | 37.7 | Very low | 39.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | 69.9 | 115.7 | 162.2 | -59.2 | -24.6 | 0 | 0 | 0 | 119.7 | | |
| 12 | L | 43.9 | Very low | 39.9 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | | -154.6 | 174.4 | 129 | -138.1 | 65.8 | 0 | 0 | 0 | 110.4 | | |
| 13 | M | 40.6 | Very low | 39.9 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | trans | -162.9 | 132.7 | -139.7 | 167 | -178.8 | 152 | 0 | 0 | 114 | | |
| 14 | V | 39.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | 70.5 | 159.1 | 156.1 | 166.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 15 | P | 44 | Very low | 40.2 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | cis | -124.7 | -179.1 | 6 | 19.5 | 6.6 | 0 | 0 | 0 | 118.2 | | |
| 16 | S | 36.3 | Very low | 39.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | trans | -72.2 | 161.2 | 177.3 | -21.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 17 | T | 37.2 | Very low | 39.5 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -166.3 | 151.4 | 135.2 | 22.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 18 | V | 38.7 | Very low | 38.9 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -24.9 | 164.4 | 162.1 | -72.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 19 | S | 34.6 | Very low | 39.3 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | cis | -159.6 | 179.9 | 12.3 | -131.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 20 | S | 35.5 | Very low | 39.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -73.6 | 158 | -177.8 | 55.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 21 | S | 39.3 | Very low | 39.7 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -168.6 | 151.5 | 138.5 | 57.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 22 | S | 38.2 | Very low | 39.9 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -120.3 | 159.1 | -174.6 | -49.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 23 | S | 41.2 | Very low | 39.7 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -174.5 | 119.9 | 151.2 | -72.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 24 | D | 37.8 | Very low | 40 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | | 77.9 | 115.3 | 52.5 | -74.6 | -55.6 | 0 | 0 | 0 | 115.9 | | |
| 25 | T | 43.1 | Very low | 39.9 | Very low | 147 Ų | 147 | 123.3 Ų | 123.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -158.6 | 131.9 | 147.1 | -72.6 | 0 | 0 | 0 | 0 | 110 | | |
| 26 | I | 37.3 | Very low | 39.5 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | | | trans | -95.6 | 143.6 | -164.7 | -65.8 | 157.7 | 0 | 0 | 0 | 112.3 | S28 | I26-S28 VanDerWaalsContact CG2-OG 3.27Å; I26-S28 WeakPolarHBondContact CG2-OG 3.27Å |
| 27 | I | 42.8 | Very low | 39.6 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | trans | -137 | 138.7 | 133.9 | -61.3 | -171.3 | 0 | 0 | 0 | 108 | | |
| 28 | S | 35.3 | Very low | 39.6 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | | | trans | -113.2 | 144.3 | -165.5 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | I26 | I26-S28 VanDerWaalsContact CG2-OG 3.27Å; I26-S28 WeakPolarHBondContact CG2-OG 3.27Å |
| 29 | S | 47.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -138.5 | 96.9 | 165 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 30 | T | 41.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -80.5 | 150.1 | 163.9 | 54 | 0 | 0 | 0 | 0 | 109.1 | | |
| 31 | T | 42.8 | Very low | 39.8 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | cis | -164.7 | 162.2 | 44.7 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 32 | G | 40.1 | Very low | 39.8 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 156.2 | 69.8 | 163 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 33 | V | 41.3 | Very low | 39.7 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -51.6 | 152.4 | -175 | 176.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 34 | P | 45.2 | Very low | 39.4 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -118.5 | 172.3 | -167.1 | 44 | -33.9 | 0 | 0 | 0 | 117.5 | | |
| 35 | A | 39.3 | Very low | 39.4 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -179.1 | 158.3 | 157 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 36 | N | 35.8 | Very low | 39 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | cis | -166.4 | 175.4 | -27.2 | -172.7 | 21.1 | 0 | 0 | 0 | 108.7 | | |
| 37 | F | 38.1 | Very low | 39 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 75% | 0.75 | 79% | 0.786 | S | S | * | * | | | trans | 88.6 | 99.9 | 165.4 | -64.6 | -76.4 | 0 | 0 | 0 | 121.4 | | |
| 38 | S | 36.6 | Very low | 38.9 | Very low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | | -13.8 | 159.5 | 123.3 | 52.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 39 | S | 36.8 | Very low | 39 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | cis | 176.9 | -179.5 | -7.6 | 62.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 40 | S | 39.1 | Very low | 38.2 | Very low | 90 Ų | 90 | 117.9 Ų | 117.9 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | cis | -172.7 | 167.7 | -11.4 | 32.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 41 | T | 38.1 | Very low | 38 | Very low | 147 Ų | 147 | 118 Ų | 118 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | 62.6 | 145.6 | 164.9 | 48.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 42 | G | 37.4 | Very low | 37.5 | Very low | 60 Ų | 60 | 116.6 Ų | 116.6 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | | | cis | 159.4 | 159.8 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 43 | S | 37.2 | Very low | 37.1 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | 67.5 | 153.8 | 169.3 | 78.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 44 | S | 35.4 | Very low | 36.7 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | cis | -170.3 | 175.6 | -19.2 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 45 | T | 36.3 | Very low | 36.2 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | 86.2 | 160.3 | 157.7 | -49.2 | 0 | 0 | 0 | 0 | 117 | | |
| 46 | A | 36.6 | Very low | 36 | Very low | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | | | trans | -146.4 | -164.1 | -151.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 47 | Q | 36 | Very low | 36.1 | Very low | 187 Ų | 187 | 124.1 Ų | 124.1 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | 93 | 150.2 | 177.6 | -68.2 | -93.1 | -74.1 | 0 | 0 | 116.7 | | |
| 48 | P | 41.5 | Very low | 36 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | | | trans | -138.4 | -159.7 | -142.9 | 40.2 | -18.3 | 0 | 0 | 0 | 116 | | |
| 49 | T | 35.9 | Very low | 35.9 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | | | trans | 91.3 | 135.7 | 168 | 74.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 50 | G | 31.7 | Very low | 35.8 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | | | trans | 143 | 112.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 51 | V | 36.1 | Very low | 35.6 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | 66.6 | 94.8 | 142.8 | -162.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 52 | T | 32.8 | Very low | 35.1 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | | 26 | 154.3 | 116.8 | -33.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 53 | Y | 32.7 | Very low | 35.1 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 89.9 | 143.6 | 163.8 | -59.9 | -78 | 0 | 0 | 0 | 117.7 | | |
| 54 | T | 33.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | cis | -176.4 | 142.6 | -44.7 | 29 | 0 | 0 | 0 | 0 | 110.7 | | |
| 55 | K | 34.1 | Very low | 34.7 | Very low | 170 Ų | 170 | 137 Ų | 137 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | | | trans | 77.3 | 150.8 | 145.1 | -101.9 | 178 | 139.6 | -73.5 | 0 | 123.5 | | |
| 56 | D | 34.5 | Very low | 34.6 | Very low | 103 Ų | 103 | 136 Ų | 136 | 55% | 0.551 | 75% | 0.746 | S | S | * | * | | | trans | 73.5 | 110.1 | 152.6 | -57 | -22.5 | 0 | 0 | 0 | 118.8 | | |
| 57 | H | 37.2 | Very low | 34.5 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | | 79.1 | 137.6 | 91 | -90.3 | -96.1 | 0 | 0 | 0 | 112.9 | | |
| 58 | E | 36.6 | Very low | 34.5 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | | | cis | -163.4 | -152.7 | -5.6 | 51.3 | -158.9 | 123.6 | 0 | 0 | 113.5 | | |
| 59 | D | 35 | Very low | 33.9 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | | | trans | 93.5 | 95.4 | 167.5 | -67 | -46.5 | 0 | 0 | 0 | 124.3 | | |
| 60 | I | 34 | Very low | 33.9 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | 48.5 | 118.4 | 115.6 | -59.2 | 171.8 | 0 | 0 | 0 | 120.8 | | |
| 61 | Q | 34.5 | Very low | 34.1 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | | | | -174.7 | -178.9 | 92.8 | -141.2 | 167.7 | 34.9 | 0 | 0 | 113.9 | | |
| 62 | F | 28.7 | Very low | 33.9 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 80% | 0.803 | 74% | 0.74 | S | S | * | * | | | trans | -103.8 | 158.3 | -161 | -93.1 | -104.7 | 0 | 0 | 0 | 116 | | |
| 63 | S | 37.4 | Very low | 33.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -154.5 | 152.8 | 140.2 | -79.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 64 | N | 28.2 | Very low | 34 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | -141.1 | -177.6 | -167.5 | -167.5 | 10.4 | 0 | 0 | 0 | 111.7 | | |
| 65 | T | 35.2 | Very low | 33.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | | | trans | 77.7 | 136.1 | 177.6 | 63.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 66 | T | 34.6 | Very low | 34 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | | | cis | -153.4 | 157.7 | -4.1 | -98.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 67 | S | 34.9 | Very low | 33.8 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | -27.7 | 177.3 | 166.6 | -35 | 0 | 0 | 0 | 0 | 119.6 | | |
| 68 | T | 36 | Very low | 33.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | cis | -169.4 | 161.5 | 20.1 | 0.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 69 | C | 27.6 | Very low | 33.8 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | | | cis | -173.4 | 169.2 | -34.8 | 60.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 70 | L | 37.7 | Very low | 33.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -173.8 | 136.3 | 149.9 | -104.7 | 167.9 | 0 | 0 | 0 | 111.6 | | |
| 71 | N | 35.6 | Very low | 33.9 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 50.9 | 92.8 | 162.2 | -61.8 | -17.6 | 0 | 0 | 0 | 121.1 | | |
| 72 | P | 31.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -102.9 | 72.7 | 167.6 | 38.1 | -30.6 | 0 | 0 | 0 | 113.1 | | |
| 73 | V | 31.8 | Very low | 34.2 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | | | trans | -135.3 | 59.6 | 175.7 | -164.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 74 | A | 35 | Very low | 34 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -153.3 | -30.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I76 | A74-I76 PolarHBondContact O-N 3.38Š|
| 75 | D | 31.2 | Very low | 34.2 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 13.6 | -159.3 | -119.5 | -47.3 | 0 | 0 | 0 | 116.6 | | |
| 76 | I | 36.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -16.5 | -172.8 | -67.7 | 177.7 | 0 | 0 | 0 | 113.2 | A74 | A74-I76 PolarHBondContact O-N 3.38Š|
| 77 | C | 29.7 | Very low | 34 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -94.5 | -10.7 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 78 | T | 38.8 | Very low | 34 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 56% | 0.564 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -108.6 | 7.4 | -168.3 | -26.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 79 | K | 35 | Very low | 33.7 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -119.6 | 15.9 | -168.8 | -142.1 | 172.8 | -176 | 174.5 | 0 | 115.5 | | |
| 80 | V | 34.8 | Very low | 34 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -121.9 | 0.6 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 112 | | |
| 81 | I | 37.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -107.5 | -16 | -174.5 | -62.7 | 176.5 | 0 | 0 | 0 | 112.4 | | |
| 82 | N | 33.7 | Very low | 33.6 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 13.4 | -169.5 | -70 | -12.2 | 0 | 0 | 0 | 115.9 | | |
| 83 | E | 35.1 | Very low | 33.5 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 13.1 | 178.3 | -65.6 | -159.3 | 143.6 | 0 | 0 | 114.5 | | |
| 84 | V | 33.4 | Very low | 33.6 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -118.6 | 17.5 | -178.9 | -156.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 85 | E | 33.8 | Very low | 33.5 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -119.6 | 24.1 | 177.6 | -149.8 | 168.9 | 136 | 0 | 0 | 113.2 | | |
| 86 | A | 33.2 | Very low | 34 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -118.8 | 7.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 87 | A | 32.7 | Very low | 34 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -157.4 | 92.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 88 | N | 33.4 | Very low | 34.4 | Very low | 162 Ų | 162 | 137 Ų | 137 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | -158 | 99.6 | 144.2 | -117.4 | -17.3 | 0 | 0 | 0 | 112.5 | | |
| 89 | I | 31.1 | Very low | 34.1 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | -93.8 | 130.2 | 160.9 | -71.2 | 166.8 | 0 | 0 | 0 | 105.8 | | |
| 90 | L | 33.4 | Very low | 34.2 | Very low | 150 Ų | 150 | 132 Ų | 132 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 108 | 133.6 | 174.4 | -62.1 | 146.6 | 0 | 0 | 0 | 118 | | |
| 91 | D | 30.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | 54.2 | 129 | 161.2 | -78.3 | -45.1 | 0 | 0 | 0 | 124.5 | | |
| 92 | P | 33.5 | Very low | 34.1 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -95.7 | 103 | 176.8 | 36.4 | -31.7 | 0 | 0 | 0 | 113.4 | | |
| 93 | T | 31.2 | Very low | 34 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -133.9 | 152.2 | 166.2 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 94 | N | 33 | Very low | 33.9 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | 82.5 | 45.3 | 179.9 | -57.8 | -76.7 | 0 | 0 | 0 | 118.8 | H96 | N94-H96 PolarHBondContact O-N 2.79Š|
| 95 | S | 32.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 33.8 | 167.8 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 96 | H | 42.2 | Very low | 33.7 | Very low | 146 Ų | 146 | 116.2 Ų | 116.2 | 68% | 0.676 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -7.5 | -163.3 | -120.2 | -67.4 | 0 | 0 | 0 | 116.9 | N94 | N94-H96 PolarHBondContact O-N 2.79Š|
| 97 | Q | 36.1 | Very low | 33.6 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 71% | 0.71 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -108.1 | -14.9 | -179.9 | -61.7 | -163.2 | 10.3 | 0 | 0 | 114.9 | S100 | Q97-S100 PolarHBondContact O-OG 3.25Š|
| 98 | V | 36.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 113.6 Ų | 113.6 | 67% | 0.667 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -39.9 | -177.5 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | S100 L101 | V98-S100 PolarHBondContact O-N 3.21Å; V98-S100 VanDerWaalsContact O-N 3.12Å; V98-L101 WeakPolarHBondContact O-CB 3.45Å; V98-L101 PolarHBondContact O-N 2.82Å |
| 99 | A | 34.1 | Very low | 33.5 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -63.1 | -20.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 100 | S | 37.2 | Very low | 33.6 | Very low | 76 Ų | 76 | 105.6 Ų | 105.6 | 53% | 0.531 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -81.3 | -13.9 | 174.2 | 24.3 | 0 | 0 | 0 | 0 | 114.1 | Q97 V98 | Q97-S100 PolarHBondContact O-OG 3.25Å; V98-S100 PolarHBondContact O-N 3.21Å; V98-S100 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 36 | Very low | 33.7 | Very low | 123 Ų | 123 | 101.9 Ų | 101.9 | 64% | 0.644 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.6 | -45.6 | -177.9 | -123.2 | 70.1 | 0 | 0 | 0 | 112.5 | V98 A103 A104 V105 | V98-L101 WeakPolarHBondContact O-CB 3.45Å; V98-L101 PolarHBondContact O-N 2.82Å; L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.97Å; L101-A104 WeakPolarHBondContact O-CB 3.35Å; L101-A104 PolarHBondContact O-N 3.03Å; L101-V105 PolarHBondContact O-N 3.04Å; L101-V105 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 33.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 102.2 Ų | 102.2 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.2 | -40.2 | 175.8 | -71.5 | -168.5 | 110.4 | 0 | 0 | 112.1 | A104 V105 A106 | E102-A104 PolarHBondContact O-N 2.88Å; E102-V105 PolarHBondContact O-N 3.13Å; E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.48Å |
| 103 | A | 32 | Very low | 33.5 | Very low | 70 Ų | 70 | 102.6 Ų | 102.6 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.7 | -27.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L101 | L101-A103 VanDerWaalsContact C-N 3.27Å; L101-A103 PolarHBondContact O-N 2.97Å |
| 104 | A | 32 | Very low | 33.5 | Very low | 63 Ų | 63 | 103 Ų | 103 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -82.6 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L101 E102 A107 A108 | L101-A104 WeakPolarHBondContact O-CB 3.35Å; L101-A104 PolarHBondContact O-N 3.03Å; E102-A104 PolarHBondContact O-N 2.88Å; A104-A107 PolarHBondContact O-N 2.75Å; A104-A108 PolarHBondContact O-N 3.05Å |
| 105 | V | 31.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 101.7 Ų | 101.7 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.3 | -43 | 177.2 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | L101 E102 A107 A108 A109 | L101-V105 PolarHBondContact O-N 3.04Å; L101-V105 VanDerWaalsContact O-N 3.11Å; E102-V105 PolarHBondContact O-N 3.13Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 2.89Å; V105-A108 PolarHBondContact O-N 2.8Å; V105-A108 VanDerWaalsContact O-N 3.11Å; V105-A109 PolarHBondContact O-N 3.08Å |
| 106 | A | 31.9 | Very low | 33.2 | Very low | 73 Ų | 73 | 101.7 Ų | 101.7 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -60.6 | -33.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | E102 | E102-A106 WeakPolarHBondContact O-CB 3.45Å; E102-A106 PolarHBondContact O-N 3.48Å |
| 107 | A | 31.1 | Very low | 32.6 | Very low | 68 Ų | 68 | 104.8 Ų | 104.8 | 56% | 0.562 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.5 | -28.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A104 V105 | A104-A107 PolarHBondContact O-N 2.75Å; V105-A107 VanDerWaalsContact C-N 3.25Å; V105-A107 PolarHBondContact O-N 2.89Å |
| 108 | A | 30.9 | Very low | 32.4 | Very low | 67 Ų | 67 | 104.3 Ų | 104.3 | 55% | 0.554 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.4 | -38.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A104 V105 A110 A111 | A104-A108 PolarHBondContact O-N 3.05Å; V105-A108 PolarHBondContact O-N 2.8Å; V105-A108 VanDerWaalsContact O-N 3.11Å; A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å; A108-A111 PolarHBondContact O-N 3.03Å |
| 109 | A | 32.2 | Very low | 32 | Very low | 71 Ų | 71 | 105 Ų | 105 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -62.1 | -37.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | V105 A111 | V105-A109 PolarHBondContact O-N 3.08Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.03Å |
| 110 | A | 33.8 | Very low | 31.9 | Very low | 77 Ų | 77 | 106 Ų | 106 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -21.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A108 | A108-A110 VanDerWaalsContact C-N 3.32Å; A108-A110 PolarHBondContact O-N 2.85Å |
| 111 | A | 34.8 | Very low | 31.4 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -79.9 | -22.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A108 A109 V113 | A108-A111 PolarHBondContact O-N 3.03Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.03Å; A111-V113 PolarHBondContact O-N 3.32Å |
| 112 | L | 30.1 | Very low | 31.1 | Very low | 146 Ų | 146 | 111.4 Ų | 111.4 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -76.3 | -20.3 | -168.3 | -156.2 | 68.1 | 0 | 0 | 0 | 114 | V114 | L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 3.07Å |
| 113 | V | 30.7 | Very low | 30.8 | Very low | 131 Ų | 131 | 108.9 Ų | 108.9 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -78.4 | -10.9 | -175.6 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | A111 | A111-V113 PolarHBondContact O-N 3.32Š|
| 114 | V | 31.1 | Very low | 30.9 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -111.2 | 33.2 | -174.4 | -159.9 | 0 | 0 | 0 | 0 | 112.6 | L112 | L112-V114 VanDerWaalsContact C-N 3.3Å; L112-V114 PolarHBondContact O-N 3.07Å |
| 115 | S | 29.5 | Very low | 30.8 | Very low | 103 Ų | 103 | 115.3 Ų | 115.3 | 72% | 0.72 | 73% | 0.725 | S | S | * | * | | | trans | -153.8 | 71.7 | 170.1 | -162.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 116 | S | 30.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | trans | -158.1 | 55.8 | 171.1 | -82.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 117 | K | 30 | Very low | 30.8 | Very low | 211 Ų | 211 | 118 Ų | 118 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | | | trans | -143.9 | 66 | 170.4 | -72.7 | -168.5 | 179.2 | 176.8 | 0 | 112.7 | | |
| 118 | N | 30.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -151.7 | 117.2 | 155.2 | -165.4 | 61.3 | 0 | 0 | 0 | 110.7 | T120 | N118-T120 PolarHBondContact ND2-OG1 3.45Š|
| 119 | S | 28.7 | Very low | 30.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | | | trans | -103.6 | 111.1 | 179.2 | -58.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 120 | T | 31.7 | Very low | 30.5 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | -127.2 | 115.3 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | N118 I122 | N118-T120 PolarHBondContact ND2-OG1 3.45Å; T120-I122 HydrophobicContact CG2-CD1 4.39Å; T120-I122 HydrophobicContact CG2-CG1 4.26Å |
| 121 | I | 26.8 | Very low | 31 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | | | trans | -89.7 | 117.5 | 178.2 | -60.7 | 167.2 | 0 | 0 | 0 | 108.3 | | |
| 122 | I | 30.3 | Very low | 31.2 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -139.4 | 117.2 | 164.8 | -56.6 | -179.5 | 0 | 0 | 0 | 108.5 | T120 | T120-I122 HydrophobicContact CG2-CD1 4.39Å; T120-I122 HydrophobicContact CG2-CG1 4.26Å |
| 123 | S | 26.1 | Very low | 31.1 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -94 | 138.4 | 174.9 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 124 | P | 34.4 | Very low | 31.4 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 150 | 163.1 | 32.5 | -31.9 | 0 | 0 | 0 | 111 | | |
| 125 | V | 29.9 | Very low | 31.3 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 163.4 | -177.7 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 126 | S | 28 | Very low | 31.7 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -101 | 131.2 | -179.8 | -172.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 127 | T | 34.4 | Very low | 31.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -158.8 | 107.8 | 172.3 | -53.8 | 0 | 0 | 0 | 0 | 105.3 | | |
| 128 | Y | 25.9 | Very low | 32 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | | | | 76.5 | 152.7 | 74.1 | -164.6 | -98.7 | 0 | 0 | 0 | 113.9 | | |
| 129 | V | 31.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | | | trans | 69.4 | 140.4 | -167.9 | -51 | 0 | 0 | 0 | 0 | 117.1 | | |
| 130 | D | 31.6 | Very low | 32.5 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | | | cis | -157.8 | 169.9 | -19.8 | -104.8 | -21.6 | 0 | 0 | 0 | 111.1 | | |
| 131 | P | 43.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | | | trans | -110.8 | 172.1 | -158.5 | 41.5 | -37.2 | 0 | 0 | 0 | 117.1 | | |
| 132 | V | 38.9 | Very low | 33 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -138 | 135.2 | 162.2 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 133 | N | 29.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 66% | 0.658 | 74% | 0.74 | S | S | * | * | | | trans | -44.3 | 153.3 | 172.9 | -78.7 | -32.2 | 0 | 0 | 0 | 115.5 | | |
| 134 | H | 37.7 | Very low | 33.7 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | | | | -161.5 | 115.9 | 66.1 | -96.7 | -76.9 | 0 | 0 | 0 | 116.9 | | |
| 135 | T | 29 | Very low | 33.8 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | | | trans | 22.8 | 144.7 | 133.7 | -28.1 | 0 | 0 | 0 | 0 | 123.9 | | |
| 136 | A | 36.7 | Very low | 34.2 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | | | trans | 90 | 142 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 137 | H | 33.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | cis | -145 | 155.6 | 6.8 | -174.4 | -89.4 | 0 | 0 | 0 | 112.9 | | |
| 138 | L | 33.6 | Very low | 34.7 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | | | trans | -44.3 | 163.3 | 168.3 | -60.5 | 128.1 | 0 | 0 | 0 | 115 | | |
| 139 | S | 36 | Very low | 35 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | cis | -170.9 | -157.6 | -17.1 | 54.7 | 0 | 0 | 0 | 0 | 107 | | |
| 140 | D | 35.2 | Very low | 35 | Very low | 125 Ų | 125 | 126.3 Ų | 126.3 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | cis | -165.1 | 175 | 7 | -135.6 | -52.8 | 0 | 0 | 0 | 112.5 | | |
| 141 | L | 37 | Very low | 34.9 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | trans | 59.3 | 164.3 | 161.1 | -103.5 | 63.2 | 0 | 0 | 0 | 120.8 | | |
| 142 | S | 32 | Very low | 34.5 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | | | | -178.9 | 134.3 | -74.2 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 143 | T | 32.8 | Very low | 34.2 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | trans | 63.9 | 166 | 161.7 | 58.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 144 | K | 38.4 | Very low | 34.5 | Very low | 158 Ų | 158 | 127.1 Ų | 127.1 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | | | cis | -165.1 | 166.9 | 15.8 | -141.9 | 163.1 | 154.6 | -92.5 | 0 | 113.1 | | |
| 145 | D | 35.9 | Very low | 34.3 | Very low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | | | trans | 63.1 | 156.3 | 153 | -61 | -36.9 | 0 | 0 | 0 | 120.8 | | |
| 146 | A | 38.3 | Very low | 34.6 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | | | cis | -167 | 143.7 | -26.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 147 | S | 33.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | 56.6 | 153.4 | 139 | -60.1 | 0 | 0 | 0 | 0 | 127.2 | | |
| 148 | S | 39 | Very low | 34.4 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | | | trans | 88.8 | 150.9 | 163.1 | 84.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 149 | N | 32.3 | Very low | 34.3 | Very low | 153 Ų | 153 | 127 Ų | 127 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | cis | -148.8 | -173.1 | 0.8 | -146.1 | -20.4 | 0 | 0 | 0 | 113.5 | | |
| 150 | V | 31.5 | Very low | 34.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | | | trans | -139.1 | 135.9 | -150.7 | 168.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 151 | H | 29.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | trans | 75.8 | 168.7 | 147.7 | -169.2 | 55.8 | 0 | 0 | 0 | 123.5 | | |
| 152 | V | 34.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | | | trans | 74.5 | 124.8 | 175.3 | -165.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 153 | Q | 31.8 | Very low | 33.4 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | | | cis | 98.7 | 111.4 | 11.1 | -169.7 | 179.3 | -11.2 | 0 | 0 | 117.4 | | |
| 154 | D | 35.1 | Very low | 33.5 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 58% | 0.578 | 72% | 0.724 | S | S | * | * | | | | 179.4 | 152.7 | 110.4 | -149.3 | 12.4 | 0 | 0 | 0 | 117 | | |
| 155 | K | 33.7 | Very low | 33.3 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | 32.6 | 152.5 | 150.7 | -93.3 | 177.7 | -139.1 | 69.1 | 0 | 129.6 | | |
| 156 | T | 36.4 | Very low | 33.3 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | | | trans | 66.3 | 147.7 | 147.1 | 47.1 | 0 | 0 | 0 | 0 | 120 | | |
| 157 | E | 29.8 | Very low | 33.2 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | cis | 158.3 | 124.6 | -24.8 | -108.3 | -164.2 | 124.3 | 0 | 0 | 105.9 | | |
| 158 | M | 36.4 | Very low | 33.3 | Very low | 150 Ų | 150 | 130 Ų | 130 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | | | trans | -160.1 | 143.4 | 153.3 | -158.8 | 78.4 | -87.3 | 0 | 0 | 109.8 | Y160 | M158-Y160 HydrophobicContact CG-CE2 4.09Š|
| 159 | S | 30.7 | Very low | 33.2 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | | | trans | -122.2 | 158.5 | -179.1 | 41 | 0 | 0 | 0 | 0 | 110.5 | | |
| 160 | Y | 32.8 | Very low | 33.4 | Very low | 212 Ų | 212 | 129.8 Ų | 129.8 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | | | trans | -157.6 | 166.7 | 154 | -65.7 | -54.3 | 0 | 0 | 0 | 110.2 | M158 | M158-Y160 HydrophobicContact CG-CE2 4.09Š|
| 161 | S | 25.2 | Very low | 33.7 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | | | trans | -148.3 | -145.6 | -162.9 | 64.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 162 | F | 31.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 129.2 Ų | 129.2 | 79% | 0.789 | 71% | 0.714 | S | S | * | * | | | trans | 85.1 | 113 | -176 | -58.5 | -76.3 | 0 | 0 | 0 | 116 | | |
| 163 | T | 31 | Very low | 34.1 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | | | | 82.7 | 144 | 57.6 | 62 | 0 | 0 | 0 | 0 | 114.1 | | |
| 164 | S | 34.6 | Very low | 34.2 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | cis | -150.1 | 172.2 | 7.8 | -90.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 165 | S | 35 | Very low | 34 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | | | cis | -167.9 | 137.7 | 49.7 | -48.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 166 | S | 37 | Very low | 34.3 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | | 64.3 | 130 | 99.5 | -42.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 167 | S | 35.4 | Very low | 34 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | cis | -159.2 | 144.8 | 39.7 | -47.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 168 | S | 35.8 | Very low | 34 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | 49.6 | 142.2 | 139.5 | 62.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 169 | I | 36.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | cis | -158 | 123.6 | 13.5 | -127.4 | 155 | 0 | 0 | 0 | 108.5 | | |
| 170 | T | 36.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | | 72.1 | 125 | 107.4 | -53.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 171 | Q | 37.5 | Very low | 33.7 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | cis | -161.1 | 157.7 | 14.3 | -139 | 177.5 | 18.6 | 0 | 0 | 113.6 | | |
| 172 | N | 32.9 | Very low | 34 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | | | trans | 55.9 | 140.3 | 151.4 | -67.9 | -16.5 | 0 | 0 | 0 | 121.6 | | |
| 173 | H | 39.6 | Very low | 34.2 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | cis | -152.4 | 136.1 | -0.3 | -104 | -41.8 | 0 | 0 | 0 | 112.9 | | |
| 174 | K | 33.2 | Very low | 34.3 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | | | trans | 60.9 | 94.4 | 140.6 | -162.4 | 172.6 | -175 | -71.4 | 0 | 120.7 | | |
| 175 | V | 31.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 77% | 0.765 | S | S | * | * | | | trans | -131.5 | 145.7 | 144.4 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 176 | P | 41.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | trans | -88.7 | 152.1 | 162 | 35 | -30.1 | 0 | 0 | 0 | 111.2 | | |
| 177 | L | 29 | Very low | 33.8 | Very low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -113.5 | -171.6 | -177 | 179.7 | 59.9 | 0 | 0 | 0 | 109.6 | | |
| 178 | F | 30.2 | Very low | 33.6 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 70.2 | 143.8 | 153.9 | 50.5 | -111.2 | 0 | 0 | 0 | 119.5 | | |
| 179 | S | 31.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | cis | -154.6 | 178.6 | -8.9 | -155.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 180 | L | 30.8 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -68.9 | 153.9 | 176.5 | -57.4 | 69.1 | 0 | 0 | 0 | 113.6 | | |
| 181 | C | 31.2 | Very low | 32.9 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | | | | 173.8 | 148.2 | 112.1 | -159.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 182 | G | 32.2 | Very low | 32.9 | Very low | 60 Ų | 60 | 138.1 Ų | 138.1 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | | | trans | 71.8 | 153 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 183 | D | 36 | Very low | 32.9 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | cis | -155.5 | 173.1 | -11.8 | -114.3 | -58.1 | 0 | 0 | 0 | 110.3 | | |
| 184 | L | 31.6 | Very low | 32.7 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -72.5 | 131.1 | -174 | -64.2 | 84.2 | 0 | 0 | 0 | 113.7 | | |
| 185 | N | 32.1 | Very low | 32.7 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | | -158.7 | 160.4 | 129.5 | -138.5 | -28.9 | 0 | 0 | 0 | 113.4 | | |
| 186 | L | 30 | Very low | 33 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | trans | -99.7 | 175.5 | 175.1 | -113.3 | 75 | 0 | 0 | 0 | 111.3 | | |
| 187 | P | 35.3 | Very low | 32.5 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -87.8 | 156.4 | -141.2 | 35.1 | -39.5 | 0 | 0 | 0 | 115.2 | | |
| 188 | L | 29.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -136.1 | 130.9 | 155 | -174.3 | 58.7 | 0 | 0 | 0 | 111 | | |
| 189 | I | 31 | Very low | 33.1 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 114.2 | 174 | -55.5 | 165.2 | 0 | 0 | 0 | 107.5 | | |
| 190 | T | 33.7 | Very low | 33.5 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | | | trans | -145.3 | 115.4 | 167.4 | -60 | 0 | 0 | 0 | 0 | 109.9 | | |
| 191 | S | 30.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -91.7 | 121.3 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 192 | T | 37.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -146.2 | 116.7 | 161.9 | -10.2 | 0 | 0 | 0 | 0 | 113 | | |
| 193 | T | 34.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -33 | 152.9 | 148.5 | 1.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 194 | I | 34.7 | Very low | 33.4 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | | | cis | -156.6 | 168.4 | 33.5 | -5.3 | 178.9 | 0 | 0 | 0 | 113.6 | | |
| 195 | T | 33.4 | Very low | 33.6 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 75.9 | 141.2 | 148.6 | 41.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 196 | S | 36.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | 90.1 | 87.1 | 153.7 | 68.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 197 | S | 31.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | | 51.3 | 85.8 | 127.1 | 60.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 198 | A | 41.3 | Very low | 34.6 | Very low | 95 Ų | 95 | 124 Ų | 124 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -150.9 | 124.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 199 | S | 31.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 121.6 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 200 | P | 39.3 | Very low | 36.1 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 129.9 | 147 | 33.1 | -26.9 | 0 | 0 | 0 | 109.8 | V202 | P200-V202 PolarHBondContact O-N 2.8Š|
| 201 | S | 33.9 | Very low | 36.8 | Very low | 110 Ų | 110 | 117.7 Ų | 117.7 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 116.2 | -179.9 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | T203 | S201-T203 PolarHBondContact O-N 2.7Š|
| 202 | V | 32.6 | Very low | 37.4 | Very low | 141 Ų | 141 | 115.7 Ų | 115.7 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -74.3 | 74.5 | 167.2 | -74.5 | 0 | 0 | 0 | 0 | 110.5 | P200 S204 | P200-V202 PolarHBondContact O-N 2.8Å; V202-S204 PolarHBondContact O-N 3.23Å |
| 203 | T | 30.8 | Very low | 37.8 | Very low | 114 Ų | 114 | 113.2 Ų | 113.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | -66.5 | 96.6 | 173.6 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | S201 S205 | S201-T203 PolarHBondContact O-N 2.7Å; T203-S205 PolarHBondContact O-N 3.22Å |
| 204 | S | 30.8 | Very low | 38.4 | Very low | 99 Ų | 99 | 110.4 Ų | 110.4 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | | | trans | -73.3 | 72.3 | 177.7 | 41.9 | 0 | 0 | 0 | 0 | 111.6 | V202 I206 | V202-S204 PolarHBondContact O-N 3.23Å; S204-I206 PolarHBondContact O-N 3.08Å |
| 205 | S | 35.1 | Very low | 39.2 | Very low | 89 Ų | 89 | 110.1 Ų | 110.1 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -73.2 | 66.2 | 175.9 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | T203 M207 | T203-S205 PolarHBondContact O-N 3.22Å; S205-M207 VanDerWaalsContact C-N 3.34Å; S205-M207 PolarHBondContact O-N 2.63Å |
| 206 | I | 36.1 | Very low | 40.1 | Very low | 140 Ų | 140 | 107 Ų | 107 | 72% | 0.718 | 71% | 0.708 | S | S | * | * | | | trans | -72.3 | 88.2 | 171.4 | -56.5 | 175.2 | 0 | 0 | 0 | 108.1 | S204 | S204-I206 PolarHBondContact O-N 3.08Š|
| 207 | M | 42.6 | Very low | 40.9 | Very low | 168 Ų | 168 | 105 Ų | 105 | 83% | 0.828 | 70% | 0.698 | S | S | * | * | | | trans | -98.5 | 105.2 | 172.7 | -73.6 | -164.3 | -77.2 | 0 | 0 | 110.7 | S205 | S205-M207 VanDerWaalsContact C-N 3.34Å; S205-M207 PolarHBondContact O-N 2.63Å |
| 208 | N | 39.5 | Very low | 41.9 | Very low | 142 Ų | 142 | 102.9 Ų | 102.9 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | | | trans | -63.5 | 136.2 | 178.2 | -66.6 | -24 | 0 | 0 | 0 | 112.1 | | |
| 209 | S | 48.7 | Very low | 42.7 | Very low | 115 Ų | 115 | 103.8 Ų | 103.8 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 171.2 | -31.7 | 145.6 | 40.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 210 | G | 44.3 | Very low | 43.9 | Very low | 51 Ų | 51 | 103.7 Ų | 103.7 | 53% | 0.526 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -82.9 | -19.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | A212 A213 A214 | G210-A212 PolarHBondContact O-N 2.89Å; G210-A213 PolarHBondContact O-N 2.84Å; G210-A214 PolarHBondContact O-N 3.1Å |
| 211 | T | 48.5 | Very low | 45 | Very low | 116 Ų | 116 | 99.5 Ų | 99.5 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.3 | -32.5 | -166 | 44.3 | 0 | 0 | 0 | 0 | 114.8 | A213 A214 L215 | T211-A213 PolarHBondContact O-N 3.07Å; T211-A214 PolarHBondContact O-N 2.97Å; T211-L215 PolarHBondContact O-N 3.48Å |
| 212 | A | 43 | Very low | 46.7 | Very low | 74 Ų | 74 | 98.2 Ų | 98.2 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.3 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G210 A216 | G210-A212 PolarHBondContact O-N 2.89Å; A212-A216 WeakPolarHBondContact O-CB 3.26Å; A212-A216 PolarHBondContact O-N 3.29Å |
| 213 | A | 45.2 | Very low | 49.1 | Very low | 71 Ų | 71 | 93.3 Ų | 93.3 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.6 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G210 T211 A216 A217 | G210-A213 PolarHBondContact O-N 2.84Å; T211-A213 PolarHBondContact O-N 3.07Å; A213-A216 PolarHBondContact O-N 2.94Å; A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.87Å |
| 214 | A | 48.2 | Very low | 52 | Low | 62 Ų | 62 | 92.1 Ų | 92.1 | 51% | 0.512 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -42.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G210 T211 A217 N218 | G210-A214 PolarHBondContact O-N 3.1Å; T211-A214 PolarHBondContact O-N 2.97Å; A214-A217 PolarHBondContact O-N 3.47Å; A214-N218 PolarHBondContact O-N 3.42Å |
| 215 | L | 50.1 | Low | 55.1 | Low | 136 Ų | 136 | 89.3 Ų | 89.3 | 71% | 0.712 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -41.9 | 177.1 | -160 | 80.6 | 0 | 0 | 0 | 111.7 | T211 N218 L219 | T211-L215 PolarHBondContact O-N 3.48Å; L215-N218 PolarHBondContact O-N 2.93Å; L215-L219 PolarHBondContact O-N 2.96Å |
| 216 | A | 53.5 | Low | 57.9 | Low | 58 Ų | 58 | 86.4 Ų | 86.4 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A212 A213 N218 L219 V220 | A212-A216 WeakPolarHBondContact O-CB 3.26Å; A212-A216 PolarHBondContact O-N 3.29Å; A213-A216 PolarHBondContact O-N 2.94Å; A216-N218 VanDerWaalsContact C-N 3.33Å; A216-N218 PolarHBondContact O-N 3.17Å; A216-L219 PolarHBondContact O-N 2.8Å; A216-V220 WeakPolarHBondContact O-CG2 3.37Å; A216-V220 PolarHBondContact O-N 3.37Å |
| 217 | A | 52.3 | Low | 60.8 | Low | 64 Ų | 64 | 79.8 Ų | 79.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A213 A214 V220 | A213-A217 WeakPolarHBondContact O-CB 3.28Å; A213-A217 PolarHBondContact O-N 2.87Å; A214-A217 PolarHBondContact O-N 3.47Å; A217-V220 PolarHBondContact O-N 2.74Å |
| 218 | N | 53.6 | Low | 63.5 | Low | 75 Ų | 75 | 73.9 Ų | 73.9 | 40% | 0.401 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.5 | -33.5 | 176.8 | -156.5 | 56.6 | 0 | 0 | 0 | 112.5 | A214 L215 A216 V220 N221 E275 | A214-N218 PolarHBondContact O-N 3.42Å; L215-N218 PolarHBondContact O-N 2.93Å; A216-N218 VanDerWaalsContact C-N 3.33Å; A216-N218 PolarHBondContact O-N 3.17Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 2.96Å; N218-N221 WeakPolarHBondContact O-CA 2.97Å; N218-N221 WeakPolarHBondContact O-CB 3.41Å; N218-N221 PolarHBondContact O-N 2.83Å; N218-E275 PolarHBondContact ND2-OE1 3.06Å; N218-E275 PolarHBondContact OD1-OE1 3.42Å |
| 219 | L | 57 | Low | 66.2 | Low | 114 Ų | 114 | 67.1 Ų | 67.1 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66 | -29.9 | 176.4 | -166.5 | 65.3 | 0 | 0 | 0 | 112.9 | L215 A216 N221 V222 | L215-L219 PolarHBondContact O-N 2.96Å; A216-L219 PolarHBondContact O-N 2.8Å; L219-N221 PolarHBondContact O-N 2.83Å; L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 PolarHBondContact O-N 3.49Å |
| 220 | V | 57.3 | Low | 68.5 | Low | 126 Ų | 126 | 62.8 Ų | 62.8 | 76% | 0.764 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -68.8 | -15.9 | 170.5 | -142.9 | 0 | 0 | 0 | 0 | 112.4 | A216 A217 N218 | A216-V220 WeakPolarHBondContact O-CG2 3.37Å; A216-V220 PolarHBondContact O-N 3.37Å; A217-V220 PolarHBondContact O-N 2.74Å; N218-V220 VanDerWaalsContact C-N 3.3Å; N218-V220 PolarHBondContact O-N 2.96Å |
| 221 | N | 61.3 | Low | 71 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -88.1 | -1.3 | -178.9 | -144.7 | 31.5 | 0 | 0 | 0 | 113.4 | N218 L219 G223 K225 G274 E275 D278 | N218-N221 WeakPolarHBondContact O-CA 2.97Å; N218-N221 WeakPolarHBondContact O-CB 3.41Å; N218-N221 PolarHBondContact O-N 2.83Å; L219-N221 PolarHBondContact O-N 2.83Å; N221-G223 VanDerWaalsContact C-N 3.31Å; N221-K225 PolarHBondContact OD1-NZ 3.45Å; N221-G274 PolarHBondContact ND2-O 2.89Å; N221-G274 WeakPolarHBondContact O-CA 3.25Å; N221-G274 PolarHBondContact O-N 3.09Å; N221-G274 PolarHBondContact OD1-O 2.94Å; N221-E275 PolarHBondContact ND2-N 3.2Å; N221-D278 PolarHBondContact ND2-OD2 2.97Å; N221-D278 PolarHBondContact OD1-OD2 3.49Å |
| 222 | V | 71 | Confident | 73.3 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -79.2 | -14.7 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | L219 | L219-V222 HydrophobicContact CD1-CG2 4.23Å; L219-V222 PolarHBondContact O-N 3.49Å |
| 223 | G | 83 | Confident | 75.8 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 39% | 0.392 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -80.5 | 158.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N221 K225 G274 | N221-G223 VanDerWaalsContact C-N 3.31Å; G223-K225 PolarHBondContact O-N 3.46Å; G223-G274 PolarHBondContact O-N 2.82Å |
| 224 | P | 91.4 | Very high | 78.2 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 58% | 0.578 | 34% | 0.341 | S | S | * | . | | | trans | -55.6 | 124.7 | 176 | -28.8 | 36.3 | 0 | 0 | 0 | 113.3 | L252 T270 F271 A272 | P224-L252 HydrophobicContact CB-CD1 3.9Å; P224-L252 HydrophobicContact CG-CD1 4.1Å; P224-T270 HydrophobicContact CB-CG2 4.37Å; P224-F271 WeakPolarHBondContact CA-O 3.4Å; P224-A272 WeakPolarHBondContact CA-O 3.38Å |
| 225 | K | 94.6 | Very high | 80.5 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.1 | -170.5 | -168.2 | 165.3 | 170.8 | -175.3 | 0 | 111.2 | N221 G223 T270 F271 G274 A277 D278 | N221-K225 PolarHBondContact OD1-NZ 3.45Å; G223-K225 PolarHBondContact O-N 3.46Å; K225-T270 WeakPolarHBondContact O-CA 3.43Å; K225-F271 PolarHBondContact N-O 3.29Å; K225-F271 PolarHBondContact O-N 3.08Å; K225-G274 PolarHBondContact NZ-O 3.36Å; K225-A277 HydrophobicContact CB-CB 3.86Å; K225-A277 HydrophobicContact CD-CB 3.95Å; K225-A277 HydrophobicContact CG-CB 3.96Å; K225-D278 IonicContact NZ-OD1 2.64Å; K225-D278 PolarHBondContact NZ-OD1 2.88Å; K225-D278 IonicContact NZ-OD2 3.06Å; K225-D278 PolarHBondContact NZ-OD2 3.39Å |
| 226 | R | 95.6 | Very high | 82.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.6 | -177.8 | -163.2 | 165.3 | 174.2 | -110.9 | 4.7 | 109.8 | E255 F268 V269 T270 A299 T300 | R226-E255 IonicContact CZ-OE2 3.14Å; R226-E255 IonicContact NH2-OE1 3.84Å; R226-E255 IonicContact NH2-OE2 2.68Å; R226-E255 PolarHBondContact NH2-OE2 3.49Å; R226-F268 HydrophobicContact CG-CB 4.25Å; R226-F268 VanDerWaalsContact NH2-CD2 3.25Å; R226-F268 VanDerWaalsContact NH2-CG 3.29Å; R226-V269 CarbonylContact C-O 3.57Å; R226-V269 WeakPolarHBondContact CA-O 3.49Å; R226-T270 HydrophobicContact CB-CG2 4.45Å; R226-A299 HydrophobicContact CB-CB 4.24Å; R226-A299 HydrophobicContact CG-CB 4.07Å; R226-A299 WeakPolarHBondContact O-CA 3.47Å; R226-A299 WeakPolarHBondContact O-CB 3.19Å; R226-A299 PolarHBondContact O-N 3.43Å; R226-T300 PolarHBondContact NH1-O 2.91Å |
| 227 | L | 96.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 154.3 | 172.3 | -57.9 | -178.7 | 0 | 0 | 0 | 110 | F268 V269 F271 A277 A280 R281 I296 N297 | L227-F268 VanDerWaalsContact O-CA 3.24Å; L227-F268 WeakPolarHBondContact O-CA 3.09Å; L227-V269 PolarHBondContact N-O 3.44Å; L227-V269 PolarHBondContact O-N 2.87Å; L227-F271 HydrophobicContact CD1-CD2 4.18Å; L227-F271 HydrophobicContact CD1-CE2 3.8Å; L227-A277 HydrophobicContact CD1-CB 4.12Å; L227-A277 WeakPolarHBondContact CD1-O 3.31Å; L227-A277 HydrophobicContact CD2-CB 4.13Å; L227-A277 HydrophobicContact CG-CB 4.1Å; L227-A280 HydrophobicContact CD1-CB 4.28Å; L227-R281 HydrophobicContact CD1-CB 4.46Å; L227-I296 HydrophobicContact CB-CG2 3.99Å; L227-I296 HydrophobicContact CD1-CG2 3.77Å; L227-I296 HydrophobicContact CG-CG2 4.32Å; L227-N297 CarbonylContact C-O 3.5Å; L227-N297 WeakPolarHBondContact CA-O 3.27Å |
| 228 | H | 97.5 | Very high | 86.8 | Confident | 45 Ų | 45 | 61.9 Ų | 61.9 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.3 | 170.2 | 174.4 | -133.4 | 0 | 0 | 0 | 107.9 | S230 F266 G267 F268 I296 N297 A299 | H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact NE2-OG 2.84Å; H228-F266 AromaticContact CD2-CD2 3.94Å; H228-F266 AromaticContact NE2-CD2 3.35Å; H228-F266 VanDerWaalsContact NE2-CD2 3.35Å; H228-F266 WeakPolarHBondContact NE2-CD2 3.44Å; H228-F266 AromaticContact NE2-CG 3.72Å; H228-G267 PolarHBondContact CD2-O 2.95Å; H228-F268 HydrophobicContact CB-CD1 3.99Å; H228-F268 HydrophobicContact CB-CE1 3.92Å; H228-F268 AromaticContact CD2-CD1 3.98Å; H228-F268 AromaticContact CD2-CE1 3.53Å; H228-F268 AromaticContact CD2-CZ 3.99Å; H228-F268 AromaticContact CG-CE1 3.93Å; H228-I296 WeakPolarHBondContact O-CA 3.49Å; H228-N297 PolarHBondContact N-O 2.96Å; H228-N297 PolarHBondContact O-N 2.79Å; H228-A299 HydrophobicContact CB-CB 3.99Å |
| 229 | V | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 116.4 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 108.2 | I232 L241 L245 F266 G267 V269 E295 I296 | V229-I232 HydrophobicContact CG1-CG2 3.7Å; V229-L241 HydrophobicContact CG1-CD2 4.11Å; V229-L245 HydrophobicContact CG2-CD1 4Å; V229-F266 CarbonylContact O-C 3.59Å; V229-F266 WeakPolarHBondContact O-CA 3.35Å; V229-F266 VanDerWaalsContact O-CB 3.28Å; V229-F266 WeakPolarHBondContact O-CB 3.49Å; V229-G267 PolarHBondContact N-O 3.22Å; V229-G267 PolarHBondContact O-N 3.4Å; V229-V269 HydrophobicContact CG2-CG2 4.15Å; V229-E295 WeakPolarHBondContact CA-O 3.34Å; V229-I296 HydrophobicContact CG1-CD1 4.42Å; V229-I296 HydrophobicContact CG1-CG1 4.25Å; V229-I296 HydrophobicContact CG2-CD1 4.36Å; V229-I296 HydrophobicContact CG2-CG1 4.42Å; V229-I296 HydrophobicContact CG2-CG2 4.48Å |
| 230 | S | 97 | Very high | 90.7 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 16% | 0.161 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 160.3 | -170.9 | -84.1 | 0 | 0 | 0 | 0 | 113.6 | H228 I232 I294 E295 | H228-S230 PolarHBondContact CE1-OG 3.15Å; H228-S230 PolarHBondContact NE2-OG 2.84Å; S230-I232 PolarHBondContact O-N 2.68Å; S230-I294 WeakPolarHBondContact O-CA 3.47Å; S230-E295 PolarHBondContact N-O 3.04Å; S230-E295 PolarHBondContact O-N 3.49Å |
| 231 | N | 97.2 | Very high | 92.5 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 43% | 0.428 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 58.8 | 27.3 | -178.5 | -162.6 | 30.2 | 0 | 0 | 0 | 114.9 | G265 R292 K293 | N231-G265 WeakPolarHBondContact CA-O 3.35Å; N231-G265 PolarHBondContact N-O 2.79Å; N231-R292 WeakPolarHBondContact O-CB 3.39Å; N231-K293 WeakPolarHBondContact CB-O 3.26Å; N231-K293 PolarHBondContact ND2-O 3.11Å |
| 232 | I | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | | | trans | -70.5 | 154.2 | 176.3 | 60.5 | 173.8 | 0 | 0 | 0 | 111.2 | V229 S230 F236 L241 I256 G265 R292 I294 | V229-I232 HydrophobicContact CG1-CG2 3.7Å; S230-I232 PolarHBondContact O-N 2.68Å; I232-F236 HydrophobicContact CB-CD1 4.31Å; I232-F236 HydrophobicContact CB-CG 4.49Å; I232-F236 HydrophobicContact CD1-CB 4.11Å; I232-L241 HydrophobicContact CD1-CD1 4.25Å; I232-L241 HydrophobicContact CD1-CD2 4.32Å; I232-L241 HydrophobicContact CG2-CD2 4.31Å; I232-I256 HydrophobicContact CD1-CD1 4.39Å; I232-G265 VanDerWaalsContact CG1-C 3.49Å; I232-G265 WeakPolarHBondContact CG1-O 3.26Å; I232-G265 PolarHBondContact N-O 2.97Å; I232-R292 PolarHBondContact O-NH1 3.34Å; I232-I294 HydrophobicContact CG2-CG2 3.98Å |
| 233 | P | 95.5 | Very high | 95.4 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | | | trans | -60.3 | 143.1 | 176.2 | -23.1 | 34.2 | 0 | 0 | 0 | 112.4 | R235 F236 E290 | P233-R235 PolarHBondContact O-N 3.04Å; P233-F236 HydrophobicContact CB-CD2 3.85Å; P233-F236 HydrophobicContact CB-CE2 4.28Å; P233-F236 HydrophobicContact CG-CD2 3.79Å; P233-F236 HydrophobicContact CG-CE2 3.78Å; P233-F236 WeakPolarHBondContact O-CB 3.41Å; P233-F236 PolarHBondContact O-N 2.77Å; P233-E290 HydrophobicContact CB-CB 4.37Å; P233-E290 HydrophobicContact CB-CG 4.5Å; P233-E290 WeakPolarHBondContact CB-OE2 3.38Å; P233-E290 HydrophobicContact CG-CB 3.69Å; P233-E290 HydrophobicContact CG-CG 3.9Å; P233-E290 VanDerWaalsContact CG-OE2 3.28Å; P233-E290 WeakPolarHBondContact CG-OE2 3.49Å |
| 234 | F | 96 | Very high | 96 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 46% | 0.456 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.3 | -178.5 | -58 | -54.1 | 0 | 0 | 0 | 113.6 | R237 S263 | F234-R237 PolarHBondContact O-NH1 2.73Å; F234-S263 VanDerWaalsContact CA-OG 3.26Å; F234-S263 WeakPolarHBondContact CA-OG 3.24Å; F234-S263 WeakPolarHBondContact CD1-O 3.08Å; F234-S263 PolarHBondContact O-OG 3.2Å |
| 235 | R | 95.4 | Very high | 96.1 | Very high | 194 Ų | 194 | 57.2 Ų | 57.2 | 73% | 0.732 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.6 | 174.1 | -58.8 | -172.6 | 75.5 | -170 | 2.8 | 113 | P233 R237 | P233-R235 PolarHBondContact O-N 3.04Å; R235-R237 PolarHBondContact O-NH1 2.75Å; R235-R237 VanDerWaalsContact O-NH1 3.08Å |
| 236 | F | 95.8 | Very high | 96.2 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 9% | 0.088 | 27% | 0.273 | C | S | . | . | | | trans | -58.3 | 142.5 | -174 | -92.3 | -135.4 | 0 | 0 | 0 | 113.2 | I232 P233 D240 L241 L244 V289 E290 | I232-F236 HydrophobicContact CB-CD1 4.31Å; I232-F236 HydrophobicContact CB-CG 4.49Å; I232-F236 HydrophobicContact CD1-CB 4.11Å; P233-F236 HydrophobicContact CB-CD2 3.85Å; P233-F236 HydrophobicContact CB-CE2 4.28Å; P233-F236 HydrophobicContact CG-CD2 3.79Å; P233-F236 HydrophobicContact CG-CE2 3.78Å; P233-F236 WeakPolarHBondContact O-CB 3.41Å; P233-F236 PolarHBondContact O-N 2.77Å; F236-D240 WeakPolarHBondContact CA-OD2 3.14Å; F236-D240 HydrophobicContact CB-CB 4.43Å; F236-D240 HydrophobicContact CD1-CB 3.66Å; F236-D240 HydrophobicContact CD2-CB 4.18Å; F236-D240 HydrophobicContact CE1-CB 3.77Å; F236-D240 HydrophobicContact CE2-CB 4.29Å; F236-D240 HydrophobicContact CG-CB 3.86Å; F236-D240 HydrophobicContact CZ-CB 4.07Å; F236-L241 HydrophobicContact CD1-CD2 4.1Å; F236-L241 HydrophobicContact CD1-CG 4.37Å; F236-L244 HydrophobicContact CE1-CD2 4.47Å; F236-V289 HydrophobicContact CE1-CG1 4.15Å; F236-V289 HydrophobicContact CE2-CG1 4.08Å; F236-V289 HydrophobicContact CZ-CG1 3.43Å; F236-V289 VanDerWaalsContact CZ-CG1 3.43Å; F236-E290 HydrophobicContact CE2-CG 4.37Å |
| 237 | R | 96.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 60.6 Ų | 60.6 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | | | trans | -128.9 | 174.8 | 176.8 | -60.9 | -59.2 | 177.9 | -98.2 | 0.2 | 109.5 | F234 R235 A239 D240 L241 I256 | F234-R237 PolarHBondContact O-NH1 2.73Å; R235-R237 PolarHBondContact O-NH1 2.75Å; R235-R237 VanDerWaalsContact O-NH1 3.08Å; R237-A239 PolarHBondContact O-N 3.11Å; R237-D240 PolarHBondContact N-OD2 2.82Å; R237-D240 PolarHBondContact O-N 3.08Å; R237-D240 VanDerWaalsContact O-N 3.08Å; R237-L241 PolarHBondContact O-N 3.15Å; R237-I256 VanDerWaalsContact CA-CD1 3.44Å; R237-I256 WeakPolarHBondContact O-CD1 3.41Å |
| 238 | E | 96 | Very high | 96.1 | Very high | 99 Ų | 99 | 63.4 Ų | 63.4 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -31.7 | -176.7 | -70.6 | 140 | -146.6 | 0 | 0 | 112.6 | R242 V254 | E238-R242 WeakPolarHBondContact O-CB 3.18Å; E238-R242 PolarHBondContact O-N 2.84Å; E238-V254 HydrophobicContact CB-CB 4.21Å; E238-V254 HydrophobicContact CB-CG1 3.96Å; E238-V254 HydrophobicContact CG-CB 4.13Å; E238-V254 HydrophobicContact CG-CG1 3.79Å |
| 239 | A | 96.7 | Very high | 96 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.7 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R237 L241 R242 Q243 | R237-A239 PolarHBondContact O-N 3.11Å; A239-L241 PolarHBondContact O-N 2.89Å; A239-R242 CarbonylContact O-C 3.55Å; A239-R242 PolarHBondContact O-N 3.2Å; A239-Q243 WeakPolarHBondContact O-CB 3.32Å; A239-Q243 PolarHBondContact O-N 3.14Å |
| 240 | D | 96.4 | Very high | 95.9 | Very high | 54 Ų | 54 | 66.5 Ų | 66.5 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | -178.5 | -47.9 | -58.1 | 0 | 0 | 0 | 111.2 | F236 R237 Q243 L244 | F236-D240 WeakPolarHBondContact CA-OD2 3.14Å; F236-D240 HydrophobicContact CB-CB 4.43Å; F236-D240 HydrophobicContact CD1-CB 3.66Å; F236-D240 HydrophobicContact CD2-CB 4.18Å; F236-D240 HydrophobicContact CE1-CB 3.77Å; F236-D240 HydrophobicContact CE2-CB 4.29Å; F236-D240 HydrophobicContact CG-CB 3.86Å; F236-D240 HydrophobicContact CZ-CB 4.07Å; R237-D240 PolarHBondContact N-OD2 2.82Å; R237-D240 PolarHBondContact O-N 3.08Å; R237-D240 VanDerWaalsContact O-N 3.08Å; D240-Q243 PolarHBondContact O-N 3.13Å; D240-L244 WeakPolarHBondContact O-CB 3.2Å; D240-L244 PolarHBondContact O-N 3.06Å |
| 241 | L | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 171.8 | -74 | -177.5 | 0 | 0 | 0 | 111.9 | V229 I232 F236 R237 A239 Q243 L244 L245 V254 I256 V269 | V229-L241 HydrophobicContact CG1-CD2 4.11Å; I232-L241 HydrophobicContact CD1-CD1 4.25Å; I232-L241 HydrophobicContact CD1-CD2 4.32Å; I232-L241 HydrophobicContact CG2-CD2 4.31Å; F236-L241 HydrophobicContact CD1-CD2 4.1Å; F236-L241 HydrophobicContact CD1-CG 4.37Å; R237-L241 PolarHBondContact O-N 3.15Å; A239-L241 PolarHBondContact O-N 2.89Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.99Å; L241-L244 PolarHBondContact O-N 3.19Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 PolarHBondContact O-N 2.98Å; L241-V254 HydrophobicContact CB-CG1 3.93Å; L241-V254 HydrophobicContact CD1-CG1 3.78Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; L241-I256 HydrophobicContact CD1-CD1 3.77Å; L241-I256 HydrophobicContact CD1-CG1 3.64Å; L241-I256 HydrophobicContact CG-CD1 4.27Å; L241-V269 HydrophobicContact CB-CG2 4.44Å; L241-V269 HydrophobicContact CD1-CG2 4.2Å |
| 242 | R | 96.1 | Very high | 95.7 | Very high | 132 Ų | 132 | 66.8 Ų | 66.8 | 50% | 0.498 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 172.9 | -86.3 | -168.9 | 159.3 | 171 | -5.5 | 112.5 | E238 A239 G246 I251 V254 | E238-R242 WeakPolarHBondContact O-CB 3.18Å; E238-R242 PolarHBondContact O-N 2.84Å; A239-R242 CarbonylContact O-C 3.55Å; A239-R242 PolarHBondContact O-N 3.2Å; R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.49Å; R242-G246 PolarHBondContact O-N 2.94Å; R242-I251 HydrophobicContact CG-CD1 4.23Å; R242-I251 HydrophobicContact CG-CG2 4.33Å; R242-I251 PolarHBondContact NH2-O 2.91Å; R242-V254 HydrophobicContact CG-CG2 3.83Å |
| 243 | Q | 96.1 | Very high | 95.6 | Very high | 153 Ų | 153 | 69.2 Ų | 69.2 | 72% | 0.715 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.3 | -39.2 | 177.8 | -170.3 | 176.2 | 17.1 | 0 | 0 | 112.1 | A239 D240 L241 P247 | A239-Q243 WeakPolarHBondContact O-CB 3.32Å; A239-Q243 PolarHBondContact O-N 3.14Å; D240-Q243 PolarHBondContact O-N 3.13Å; L241-Q243 VanDerWaalsContact C-N 3.33Å; L241-Q243 PolarHBondContact O-N 2.99Å; Q243-P247 WeakPolarHBondContact O-CD 3.42Å |
| 244 | L | 94.8 | Very high | 95.7 | Very high | 41 Ų | 41 | 69.8 Ų | 69.8 | 22% | 0.215 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72 | -40.1 | 179.1 | -175.7 | 65.2 | 0 | 0 | 0 | 112.9 | F236 D240 L241 L284 V289 I294 | F236-L244 HydrophobicContact CE1-CD2 4.47Å; D240-L244 WeakPolarHBondContact O-CB 3.2Å; D240-L244 PolarHBondContact O-N 3.06Å; L241-L244 PolarHBondContact O-N 3.19Å; L244-L284 HydrophobicContact CD1-CD2 3.87Å; L244-L284 HydrophobicContact CG-CD1 4.02Å; L244-L284 HydrophobicContact CG-CD2 4.21Å; L244-V289 HydrophobicContact CD1-CG2 4.49Å; L244-V289 HydrophobicContact CD2-CG2 4.21Å; L244-I294 HydrophobicContact CD2-CD1 3.86Å |
| 245 | L | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -100.4 | -21.2 | -172 | -75.6 | 153.7 | 0 | 0 | 0 | 114.1 | V229 L241 P247 F248 I251 V269 F271 A280 L284 I296 | V229-L245 HydrophobicContact CG2-CD1 4Å; L241-L245 HydrophobicContact CD2-CD1 4.38Å; L241-L245 VanDerWaalsContact O-CB 3.32Å; L241-L245 WeakPolarHBondContact O-CB 3.28Å; L241-L245 PolarHBondContact O-N 2.98Å; L245-P247 VanDerWaalsContact C-CD 3.43Å; L245-F248 PolarHBondContact O-N 3.49Å; L245-F248 VanDerWaalsContact O-N 3.11Å; L245-I251 HydrophobicContact CB-CD1 3.68Å; L245-V269 HydrophobicContact CD1-CB 4.22Å; L245-V269 HydrophobicContact CD1-CG1 4.21Å; L245-V269 HydrophobicContact CD1-CG2 3.73Å; L245-F271 HydrophobicContact CB-CZ 3.99Å; L245-F271 HydrophobicContact CD2-CE2 4.29Å; L245-F271 HydrophobicContact CD2-CZ 4.07Å; L245-A280 HydrophobicContact CD2-CB 3.88Å; L245-L284 HydrophobicContact CD2-CD1 3.43Å; L245-L284 VanDerWaalsContact CD2-CD1 3.43Å; L245-L284 HydrophobicContact CG-CD1 3.9Å; L245-I296 HydrophobicContact CD2-CD1 4.07Å |
| 246 | G | 95.7 | Very high | 95.7 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -59 | -33.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R242 F248 G249 | R242-G246 VanDerWaalsContact O-CA 3.26Å; R242-G246 WeakPolarHBondContact O-CA 3.49Å; R242-G246 PolarHBondContact O-N 2.94Å; G246-F248 PolarHBondContact O-N 2.66Å; G246-F248 VanDerWaalsContact O-N 3.08Å; G246-G249 PolarHBondContact O-N 2.79Å; G246-G249 VanDerWaalsContact O-O 3.14Å |
| 247 | P | 95.9 | Very high | 95.7 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 69% | 0.688 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -60.8 | -15.7 | 173.8 | -26.8 | 36.5 | 0 | 0 | 0 | 114.8 | Q243 L245 | Q243-P247 WeakPolarHBondContact O-CD 3.42Å; L245-P247 VanDerWaalsContact C-CD 3.43Å |
| 248 | F | 94.9 | Very high | 95.7 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -98.3 | -11.3 | -179.6 | -58.7 | -83.2 | 0 | 0 | 0 | 113.9 | L245 G246 A280 N283 L284 | L245-F248 PolarHBondContact O-N 3.49Å; L245-F248 VanDerWaalsContact O-N 3.11Å; G246-F248 PolarHBondContact O-N 2.66Å; G246-F248 VanDerWaalsContact O-N 3.08Å; F248-A280 HydrophobicContact CB-CB 3.69Å; F248-A280 HydrophobicContact CD2-CB 4.44Å; F248-A280 HydrophobicContact CG-CB 4.03Å; F248-N283 HydrophobicContact CD1-CB 4.3Å; F248-N283 HydrophobicContact CE1-CB 3.4Å; F248-N283 HydrophobicContact CZ-CB 3.75Å; F248-L284 HydrophobicContact CD2-CD1 3.97Å; F248-L284 HydrophobicContact CE2-CD1 3.53Å; F248-L284 HydrophobicContact CE2-CD2 4.3Å; F248-L284 HydrophobicContact CE2-CG 3.78Å; F248-L284 HydrophobicContact CZ-CD1 4.3Å; F248-L284 HydrophobicContact CZ-CG 4.06Å |
| 249 | G | 94.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 162.6 | 177.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G246 I251 E276 | G246-G249 PolarHBondContact O-N 2.79Å; G246-G249 VanDerWaalsContact O-O 3.14Å; G249-I251 PolarHBondContact O-N 3.49Å; G249-E276 VanDerWaalsContact CA-OE2 3.22Å; G249-E276 WeakPolarHBondContact CA-OE2 3.35Å |
| 250 | T | 95.8 | Very high | 95.5 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | | | trans | -81.7 | 111.4 | -176.9 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | L252 F271 A272 E276 | T250-L252 PolarHBondContact O-N 3.45Å; T250-F271 CarbonylContact O-C 3.55Å; T250-F271 WeakPolarHBondContact O-CA 2.97Å; T250-A272 HydrophobicContact CG2-CB 4.24Å; T250-A272 PolarHBondContact O-N 2.87Å; T250-E276 PolarHBondContact N-OE2 2.8Å |
| 251 | I | 95.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 72.2 Ų | 72.2 | 8% | 0.077 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 104.3 | -177.7 | -61.2 | 168.7 | 0 | 0 | 0 | 111 | R242 L245 G249 V254 V269 T270 F271 | R242-I251 HydrophobicContact CG-CD1 4.23Å; R242-I251 HydrophobicContact CG-CG2 4.33Å; R242-I251 PolarHBondContact NH2-O 2.91Å; L245-I251 HydrophobicContact CB-CD1 3.68Å; G249-I251 PolarHBondContact O-N 3.49Å; I251-V254 HydrophobicContact CG2-CG2 3.41Å; I251-V254 VanDerWaalsContact CG2-CG2 3.41Å; I251-V269 HydrophobicContact CD1-CG1 4.1Å; I251-V269 HydrophobicContact CG1-CG1 4.05Å; I251-V269 HydrophobicContact CG2-CG1 3.71Å; I251-T270 CarbonylContact C-O 3.4Å; I251-F271 HydrophobicContact CD1-CE1 4.48Å; I251-F271 HydrophobicContact CG1-CD1 4.12Å; I251-F271 HydrophobicContact CG1-CE1 3.82Å; I251-F271 HydrophobicContact CG1-CZ 4.18Å |
| 252 | L | 94.8 | Very high | 95.4 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | -44.4 | 175.1 | -60 | -179.2 | 0 | 0 | 0 | 112.1 | P224 T250 T270 A272 | P224-L252 HydrophobicContact CB-CD1 3.9Å; P224-L252 HydrophobicContact CG-CD1 4.1Å; T250-L252 PolarHBondContact O-N 3.45Å; L252-T270 PolarHBondContact N-O 2.72Å; L252-A272 HydrophobicContact CD2-CB 4.16Å; L252-A272 HydrophobicContact CG-CB 4.28Å |
| 253 | D | 94.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 68.1 Ų | 68.1 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 143.9 | -169.1 | -172.4 | 17.5 | 0 | 0 | 0 | 112.4 | T270 R302 | D253-T270 PolarHBondContact N-O 2.64Å; D253-T270 PolarHBondContact O-N 2.86Å; D253-R302 IonicContact OD1-NH2 3.8Å; D253-R302 IonicContact OD2-CZ 2.8Å; D253-R302 IonicContact OD2-NH1 3.77Å; D253-R302 PolarHBondContact OD2-NH1 3.37Å; D253-R302 IonicContact OD2-NH2 2.75Å; D253-R302 PolarHBondContact OD2-NH2 2.71Å |
| 254 | V | 95.8 | Very high | 95.3 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 133.3 | 177 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | E238 L241 R242 I251 F268 V269 | E238-V254 HydrophobicContact CB-CB 4.21Å; E238-V254 HydrophobicContact CB-CG1 3.96Å; E238-V254 HydrophobicContact CG-CB 4.13Å; E238-V254 HydrophobicContact CG-CG1 3.79Å; L241-V254 HydrophobicContact CB-CG1 3.93Å; L241-V254 HydrophobicContact CD1-CG1 3.78Å; L241-V254 HydrophobicContact CG-CG1 4.5Å; R242-V254 HydrophobicContact CG-CG2 3.83Å; I251-V254 HydrophobicContact CG2-CG2 3.41Å; I251-V254 VanDerWaalsContact CG2-CG2 3.41Å; V254-F268 WeakPolarHBondContact CA-O 3.37Å; V254-V269 HydrophobicContact CG1-CG2 4.2Å; V254-V269 HydrophobicContact CG2-CG1 4.34Å; V254-V269 HydrophobicContact CG2-CG2 4.24Å |
| 255 | E | 95.9 | Very high | 95.4 | Very high | 50 Ų | 50 | 65.1 Ų | 65.1 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 111.3 | -176.1 | 176.6 | -173.7 | 174.1 | 0 | 0 | 109.2 | R226 I257 G267 F268 R302 | R226-E255 IonicContact CZ-OE2 3.14Å; R226-E255 IonicContact NH2-OE1 3.84Å; R226-E255 IonicContact NH2-OE2 2.68Å; R226-E255 PolarHBondContact NH2-OE2 3.49Å; E255-I257 HydrophobicContact CG-CD1 4.01Å; E255-G267 CarbonylContact O-C 3.55Å; E255-G267 WeakPolarHBondContact O-CA 3.47Å; E255-F268 HydrophobicContact CB-CB 4.47Å; E255-F268 PolarHBondContact N-O 3.43Å; E255-F268 PolarHBondContact O-N 2.87Å; E255-R302 IonicContact OE2-CZ 2.65Å; E255-R302 IonicContact OE2-NE 2.8Å; E255-R302 PolarHBondContact OE2-NE 2.96Å; E255-R302 IonicContact OE2-NH2 2.73Å; E255-R302 PolarHBondContact OE2-NH2 3.09Å |
| 256 | I | 96.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.8 | 171.9 | -70.5 | 174.6 | 0 | 0 | 0 | 109.2 | I232 R237 L241 F258 | I232-I256 HydrophobicContact CD1-CD1 4.39Å; R237-I256 VanDerWaalsContact CA-CD1 3.44Å; R237-I256 WeakPolarHBondContact O-CD1 3.41Å; L241-I256 HydrophobicContact CD1-CD1 3.77Å; L241-I256 HydrophobicContact CD1-CG1 3.64Å; L241-I256 HydrophobicContact CG-CD1 4.27Å; I256-F258 HydrophobicContact CB-CE2 3.88Å; I256-F258 HydrophobicContact CB-CZ 4.21Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.75Å; I256-F258 HydrophobicContact CG2-CZ 3.8Å; I256-F258 WeakPolarHBondContact O-CD2 3.25Å; I256-F258 WeakPolarHBondContact O-CE2 3.49Å |
| 257 | I | 96 | Very high | 95.5 | Very high | 41 Ų | 41 | 65.7 Ų | 65.7 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.6 | -179.6 | -58.3 | -53 | 0 | 0 | 0 | 109.3 | E255 K264 F266 F268 | E255-I257 HydrophobicContact CG-CD1 4.01Å; I257-K264 HydrophobicContact CG2-CB 4.3Å; I257-K264 HydrophobicContact CG2-CD 4.09Å; I257-K264 VanDerWaalsContact O-CB 3.24Å; I257-K264 WeakPolarHBondContact O-CB 3.37Å; I257-K264 PolarHBondContact O-N 2.86Å; I257-F266 HydrophobicContact CB-CD2 4.21Å; I257-F266 HydrophobicContact CB-CE2 3.8Å; I257-F266 HydrophobicContact CB-CZ 4.11Å; I257-F266 HydrophobicContact CG1-CD2 3.99Å; I257-F266 HydrophobicContact CG1-CE2 3.53Å; I257-F266 HydrophobicContact CG1-CZ 4.26Å; I257-F266 HydrophobicContact CG2-CE2 4.19Å; I257-F266 HydrophobicContact CG2-CZ 4.05Å; I257-F266 PolarHBondContact N-O 3.12Å; I257-F268 HydrophobicContact CD1-CD2 4.25Å; I257-F268 HydrophobicContact CD1-CE2 4.03Å; I257-F268 HydrophobicContact CG1-CD2 4.27Å; I257-F268 HydrophobicContact CG1-CE2 3.87Å |
| 258 | F | 95.8 | Very high | 95.6 | Very high | 97 Ų | 97 | 62.5 Ų | 62.5 | 43% | 0.425 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 153.6 | 175.8 | -64.3 | -92.3 | 0 | 0 | 0 | 111.3 | I256 | I256-F258 HydrophobicContact CB-CE2 3.88Å; I256-F258 HydrophobicContact CB-CZ 4.21Å; I256-F258 HydrophobicContact CG2-CD2 4.3Å; I256-F258 HydrophobicContact CG2-CE1 4.39Å; I256-F258 HydrophobicContact CG2-CE2 3.75Å; I256-F258 HydrophobicContact CG2-CZ 3.8Å; I256-F258 WeakPolarHBondContact O-CD2 3.25Å; I256-F258 WeakPolarHBondContact O-CE2 3.49Å |
| 259 | N | 94.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 59.7 Ų | 59.7 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 173.7 | 163.9 | -170.5 | 29 | 0 | 0 | 0 | 108.3 | R261 G262 | N259-R261 PolarHBondContact O-N 3.09Å; N259-G262 PolarHBondContact N-O 3Å; N259-G262 PolarHBondContact O-N 3.41Å; N259-G262 VanDerWaalsContact O-O 3.06Å |
| 260 | E | 94.2 | Very high | 95.7 | Very high | 188 Ų | 188 | 59.8 Ų | 59.8 | 88% | 0.879 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -28.9 | 177.2 | 69.8 | -158.9 | 148.9 | 0 | 0 | 114.4 | | |
| 261 | R | 94.2 | Very high | 95.8 | Very high | 223 Ų | 223 | 55.4 Ų | 55.4 | 84% | 0.842 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3.5 | 178 | -164.2 | 177.4 | 175.7 | -80.1 | 0.3 | 114.2 | N259 | N259-R261 PolarHBondContact O-N 3.09Š|
| 262 | G | 95.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.4 | -161.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | N259 | N259-G262 PolarHBondContact N-O 3Å; N259-G262 PolarHBondContact O-N 3.41Å; N259-G262 VanDerWaalsContact O-O 3.06Å |
| 263 | S | 95.5 | Very high | 95.6 | Very high | 14 Ų | 14 | 53.4 Ų | 53.4 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 146.1 | -175.6 | 69.5 | 0 | 0 | 0 | 0 | 112.2 | F234 G265 | F234-S263 VanDerWaalsContact CA-OG 3.26Å; F234-S263 WeakPolarHBondContact CA-OG 3.24Å; F234-S263 WeakPolarHBondContact CD1-O 3.08Å; F234-S263 PolarHBondContact O-OG 3.2Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.49Å |
| 264 | K | 96.5 | Very high | 95.6 | Very high | 125 Ų | 125 | 51 Ų | 51 | 54% | 0.543 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 2.7 | -175.8 | -158.2 | 173.1 | 170.6 | -167.8 | 0 | 113.4 | I257 F266 | I257-K264 HydrophobicContact CG2-CB 4.3Å; I257-K264 HydrophobicContact CG2-CD 4.09Å; I257-K264 VanDerWaalsContact O-CB 3.24Å; I257-K264 WeakPolarHBondContact O-CB 3.37Å; I257-K264 PolarHBondContact O-N 2.86Å; K264-F266 HydrophobicContact CB-CD1 4.21Å; K264-F266 HydrophobicContact CB-CE1 4.02Å; K264-F266 HydrophobicContact CD-CD1 4.41Å; K264-F266 HydrophobicContact CD-CE1 3.45Å; K264-F266 VanDerWaalsContact CD-CE1 3.45Å; K264-F266 HydrophobicContact CD-CZ 3.86Å; K264-F266 HydrophobicContact CG-CD1 4.14Å; K264-F266 HydrophobicContact CG-CE1 3.64Å; K264-F266 HydrophobicContact CG-CZ 4.47Å |
| 265 | G | 96 | Very high | 95.5 | Very high | 7 Ų | 7 | 54 Ų | 54 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.1 | 18.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N231 I232 S263 | N231-G265 WeakPolarHBondContact CA-O 3.35Å; N231-G265 PolarHBondContact N-O 2.79Å; I232-G265 VanDerWaalsContact CG1-C 3.49Å; I232-G265 WeakPolarHBondContact CG1-O 3.26Å; I232-G265 PolarHBondContact N-O 2.97Å; S263-G265 VanDerWaalsContact C-N 3.31Å; S263-G265 PolarHBondContact O-N 3.49Å |
| 266 | F | 96.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 53.5 Ų | 53.5 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 162.7 | 170.3 | 68.8 | -95.7 | 0 | 0 | 0 | 112 | H228 V229 I257 K264 F268 | H228-F266 AromaticContact CD2-CD2 3.94Å; H228-F266 AromaticContact NE2-CD2 3.35Å; H228-F266 VanDerWaalsContact NE2-CD2 3.35Å; H228-F266 WeakPolarHBondContact NE2-CD2 3.44Å; H228-F266 AromaticContact NE2-CG 3.72Å; V229-F266 CarbonylContact O-C 3.59Å; V229-F266 WeakPolarHBondContact O-CA 3.35Å; V229-F266 VanDerWaalsContact O-CB 3.28Å; V229-F266 WeakPolarHBondContact O-CB 3.49Å; I257-F266 HydrophobicContact CB-CD2 4.21Å; I257-F266 HydrophobicContact CB-CE2 3.8Å; I257-F266 HydrophobicContact CB-CZ 4.11Å; I257-F266 HydrophobicContact CG1-CD2 3.99Å; I257-F266 HydrophobicContact CG1-CE2 3.53Å; I257-F266 HydrophobicContact CG1-CZ 4.26Å; I257-F266 HydrophobicContact CG2-CE2 4.19Å; I257-F266 HydrophobicContact CG2-CZ 4.05Å; I257-F266 PolarHBondContact N-O 3.12Å; K264-F266 HydrophobicContact CB-CD1 4.21Å; K264-F266 HydrophobicContact CB-CE1 4.02Å; K264-F266 HydrophobicContact CD-CD1 4.41Å; K264-F266 HydrophobicContact CD-CE1 3.45Å; K264-F266 VanDerWaalsContact CD-CE1 3.45Å; K264-F266 HydrophobicContact CD-CZ 3.86Å; K264-F266 HydrophobicContact CG-CD1 4.14Å; K264-F266 HydrophobicContact CG-CE1 3.64Å; K264-F266 HydrophobicContact CG-CZ 4.47Å; F266-F268 HydrophobicContact CE2-CE2 4.34Å; F266-F268 HydrophobicContact CE2-CZ 4.41Å |
| 267 | G | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -178.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H228 V229 E255 | H228-G267 PolarHBondContact CD2-O 2.95Å; V229-G267 PolarHBondContact N-O 3.22Å; V229-G267 PolarHBondContact O-N 3.4Å; E255-G267 CarbonylContact O-C 3.55Å; E255-G267 WeakPolarHBondContact O-CA 3.47Å |
| 268 | F | 97.2 | Very high | 95.5 | Very high | 39 Ų | 39 | 52.7 Ų | 52.7 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.6 | 176.2 | -56.6 | -81.4 | 0 | 0 | 0 | 110.3 | R226 L227 H228 V254 E255 I257 F266 A299 | R226-F268 HydrophobicContact CG-CB 4.25Å; R226-F268 VanDerWaalsContact NH2-CD2 3.25Å; R226-F268 VanDerWaalsContact NH2-CG 3.29Å; L227-F268 VanDerWaalsContact O-CA 3.24Å; L227-F268 WeakPolarHBondContact O-CA 3.09Å; H228-F268 HydrophobicContact CB-CD1 3.99Å; H228-F268 HydrophobicContact CB-CE1 3.92Å; H228-F268 AromaticContact CD2-CD1 3.98Å; H228-F268 AromaticContact CD2-CE1 3.53Å; H228-F268 AromaticContact CD2-CZ 3.99Å; H228-F268 AromaticContact CG-CE1 3.93Å; V254-F268 WeakPolarHBondContact CA-O 3.37Å; E255-F268 HydrophobicContact CB-CB 4.47Å; E255-F268 PolarHBondContact N-O 3.43Å; E255-F268 PolarHBondContact O-N 2.87Å; I257-F268 HydrophobicContact CD1-CD2 4.25Å; I257-F268 HydrophobicContact CD1-CE2 4.03Å; I257-F268 HydrophobicContact CG1-CD2 4.27Å; I257-F268 HydrophobicContact CG1-CE2 3.87Å; F266-F268 HydrophobicContact CE2-CE2 4.34Å; F266-F268 HydrophobicContact CE2-CZ 4.41Å; F268-A299 HydrophobicContact CD1-CB 3.82Å; F268-A299 HydrophobicContact CE1-CB 4.12Å |
| 269 | V | 96.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.9 | 179.1 | 178 | 0 | 0 | 0 | 0 | 108.4 | R226 L227 V229 L241 L245 I251 V254 F271 | R226-V269 CarbonylContact C-O 3.57Å; R226-V269 WeakPolarHBondContact CA-O 3.49Å; L227-V269 PolarHBondContact N-O 3.44Å; L227-V269 PolarHBondContact O-N 2.87Å; V229-V269 HydrophobicContact CG2-CG2 4.15Å; L241-V269 HydrophobicContact CB-CG2 4.44Å; L241-V269 HydrophobicContact CD1-CG2 4.2Å; L245-V269 HydrophobicContact CD1-CB 4.22Å; L245-V269 HydrophobicContact CD1-CG1 4.21Å; L245-V269 HydrophobicContact CD1-CG2 3.73Å; I251-V269 HydrophobicContact CD1-CG1 4.1Å; I251-V269 HydrophobicContact CG1-CG1 4.05Å; I251-V269 HydrophobicContact CG2-CG1 3.71Å; V254-V269 HydrophobicContact CG1-CG2 4.2Å; V254-V269 HydrophobicContact CG2-CG1 4.34Å; V254-V269 HydrophobicContact CG2-CG2 4.24Å; V269-F271 HydrophobicContact CG1-CD2 4.29Å; V269-F271 HydrophobicContact CG1-CE2 3.97Å |
| 270 | T | 95.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.7 | -179.5 | -45.1 | 0 | 0 | 0 | 0 | 109.5 | P224 K225 R226 I251 L252 D253 | P224-T270 HydrophobicContact CB-CG2 4.37Å; K225-T270 WeakPolarHBondContact O-CA 3.43Å; R226-T270 HydrophobicContact CB-CG2 4.45Å; I251-T270 CarbonylContact C-O 3.4Å; L252-T270 PolarHBondContact N-O 2.72Å; D253-T270 PolarHBondContact N-O 2.64Å; D253-T270 PolarHBondContact O-N 2.86Å |
| 271 | F | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 159.1 | 174 | -75 | -91.6 | 0 | 0 | 0 | 111.5 | P224 K225 L227 L245 T250 I251 V269 T273 E276 A277 A280 | P224-F271 WeakPolarHBondContact CA-O 3.4Å; K225-F271 PolarHBondContact N-O 3.29Å; K225-F271 PolarHBondContact O-N 3.08Å; L227-F271 HydrophobicContact CD1-CD2 4.18Å; L227-F271 HydrophobicContact CD1-CE2 3.8Å; L245-F271 HydrophobicContact CB-CZ 3.99Å; L245-F271 HydrophobicContact CD2-CE2 4.29Å; L245-F271 HydrophobicContact CD2-CZ 4.07Å; T250-F271 CarbonylContact O-C 3.55Å; T250-F271 WeakPolarHBondContact O-CA 2.97Å; I251-F271 HydrophobicContact CD1-CE1 4.48Å; I251-F271 HydrophobicContact CG1-CD1 4.12Å; I251-F271 HydrophobicContact CG1-CE1 3.82Å; I251-F271 HydrophobicContact CG1-CZ 4.18Å; V269-F271 HydrophobicContact CG1-CD2 4.29Å; V269-F271 HydrophobicContact CG1-CE2 3.97Å; F271-T273 WeakPolarHBondContact CB-O 3.39Å; F271-E276 HydrophobicContact CB-CB 4.36Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CE1-CB 4.47Å; F271-E276 HydrophobicContact CG-CB 4.3Å; F271-A277 HydrophobicContact CB-CB 4.07Å; F271-A277 HydrophobicContact CD2-CB 3.73Å; F271-A277 HydrophobicContact CE2-CB 4.48Å; F271-A277 HydrophobicContact CG-CB 4.1Å; F271-A280 HydrophobicContact CE1-CB 4.39Å; F271-A280 HydrophobicContact CE2-CB 3.8Å; F271-A280 HydrophobicContact CZ-CB 3.54Å |
| 272 | A | 94.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 25% | 0.248 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -65.6 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P224 T250 L252 | P224-A272 WeakPolarHBondContact CA-O 3.38Å; T250-A272 HydrophobicContact CG2-CB 4.24Å; T250-A272 PolarHBondContact O-N 2.87Å; L252-A272 HydrophobicContact CD2-CB 4.16Å; L252-A272 HydrophobicContact CG-CB 4.28Å |
| 273 | T | 93.8 | Very high | 95.7 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 23% | 0.233 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -111.4 | 162.6 | 173 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | F271 E276 | F271-T273 WeakPolarHBondContact CB-O 3.39Å; T273-E276 WeakPolarHBondContact CB-OE1 3.32Å; T273-E276 VanDerWaalsContact CG2-OE1 3.27Å; T273-E276 WeakPolarHBondContact CG2-OE1 3.32Å; T273-E276 VanDerWaalsContact OG1-CG 3.23Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 2.93Å; T273-E276 PolarHBondContact OG1-OE1 3.33Å |
| 274 | G | 93.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -84.1 | -18.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N221 G223 K225 A277 D278 | N221-G274 PolarHBondContact ND2-O 2.89Å; N221-G274 WeakPolarHBondContact O-CA 3.25Å; N221-G274 PolarHBondContact O-N 3.09Å; N221-G274 PolarHBondContact OD1-O 2.94Å; G223-G274 PolarHBondContact O-N 2.82Å; K225-G274 PolarHBondContact NZ-O 3.36Å; G274-A277 PolarHBondContact O-N 3.43Å; G274-D278 PolarHBondContact O-N 3.35Å; G274-D278 VanDerWaalsContact O-OD2 3.11Å |
| 275 | E | 94.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.5 | -50.1 | 174 | -61.4 | -177.3 | 165.6 | 0 | 0 | 110.2 | N218 N221 A277 D278 H279 | N218-E275 PolarHBondContact ND2-OE1 3.06Å; N218-E275 PolarHBondContact OD1-OE1 3.42Å; N221-E275 PolarHBondContact ND2-N 3.2Å; E275-A277 VanDerWaalsContact C-N 3.25Å; E275-A277 PolarHBondContact O-N 3.49Å; E275-D278 PolarHBondContact O-N 3.35Å; E275-D278 VanDerWaalsContact O-N 3.09Å; E275-H279 PolarHBondContact O-CD2 2.8Å; E275-H279 PolarHBondContact O-N 2.7Å |
| 276 | E | 95.2 | Very high | 95.8 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.7 | -44.1 | 170.6 | -71.7 | 159.2 | -126.4 | 0 | 0 | 111.9 | G249 T250 F271 T273 H279 A280 | G249-E276 VanDerWaalsContact CA-OE2 3.22Å; G249-E276 WeakPolarHBondContact CA-OE2 3.35Å; T250-E276 PolarHBondContact N-OE2 2.8Å; F271-E276 HydrophobicContact CB-CB 4.36Å; F271-E276 HydrophobicContact CD1-CB 3.85Å; F271-E276 HydrophobicContact CE1-CB 4.47Å; F271-E276 HydrophobicContact CG-CB 4.3Å; T273-E276 WeakPolarHBondContact CB-OE1 3.32Å; T273-E276 VanDerWaalsContact CG2-OE1 3.27Å; T273-E276 WeakPolarHBondContact CG2-OE1 3.32Å; T273-E276 VanDerWaalsContact OG1-CG 3.23Å; T273-E276 WeakPolarHBondContact OG1-CG 3.24Å; T273-E276 PolarHBondContact OG1-N 2.93Å; T273-E276 PolarHBondContact OG1-OE1 3.33Å; E276-H279 PolarHBondContact O-N 2.65Å; E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.23Å |
| 277 | A | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.3 | -31.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K225 L227 F271 G274 E275 R281 | K225-A277 HydrophobicContact CB-CB 3.86Å; K225-A277 HydrophobicContact CD-CB 3.95Å; K225-A277 HydrophobicContact CG-CB 3.96Å; L227-A277 HydrophobicContact CD1-CB 4.12Å; L227-A277 WeakPolarHBondContact CD1-O 3.31Å; L227-A277 HydrophobicContact CD2-CB 4.13Å; L227-A277 HydrophobicContact CG-CB 4.1Å; F271-A277 HydrophobicContact CB-CB 4.07Å; F271-A277 HydrophobicContact CD2-CB 3.73Å; F271-A277 HydrophobicContact CE2-CB 4.48Å; F271-A277 HydrophobicContact CG-CB 4.1Å; G274-A277 PolarHBondContact O-N 3.43Å; E275-A277 VanDerWaalsContact C-N 3.25Å; E275-A277 PolarHBondContact O-N 3.49Å; A277-R281 VanDerWaalsContact O-CB 3.32Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 2.76Å |
| 278 | D | 95.5 | Very high | 95.7 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -44.7 | 171.5 | -75 | -45.9 | 0 | 0 | 0 | 111.1 | N221 K225 G274 E275 A280 R281 E282 | N221-D278 PolarHBondContact ND2-OD2 2.97Å; N221-D278 PolarHBondContact OD1-OD2 3.49Å; K225-D278 IonicContact NZ-OD1 2.64Å; K225-D278 PolarHBondContact NZ-OD1 2.88Å; K225-D278 IonicContact NZ-OD2 3.06Å; K225-D278 PolarHBondContact NZ-OD2 3.39Å; G274-D278 PolarHBondContact O-N 3.35Å; G274-D278 VanDerWaalsContact O-OD2 3.11Å; E275-D278 PolarHBondContact O-N 3.35Å; E275-D278 VanDerWaalsContact O-N 3.09Å; D278-A280 PolarHBondContact O-N 3.38Å; D278-R281 PolarHBondContact O-N 3.28Å; D278-R281 IonicContact OD1-CZ 2.82Å; D278-R281 IonicContact OD1-NH1 3.18Å; D278-R281 PolarHBondContact OD1-NH1 3.44Å; D278-R281 IonicContact OD1-NH2 2.66Å; D278-R281 PolarHBondContact OD1-NH2 3.29Å; D278-E282 WeakPolarHBondContact O-CB 3.4Å; D278-E282 PolarHBondContact O-N 3.36Å |
| 279 | H | 95.9 | Very high | 95.6 | Very high | 113 Ų | 113 | 45.6 Ų | 45.6 | 52% | 0.523 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 176.5 | -71.6 | -169.2 | 0 | 0 | 0 | 111.4 | E275 E276 R281 E282 N283 | E275-H279 PolarHBondContact O-CD2 2.8Å; E275-H279 PolarHBondContact O-N 2.7Å; E276-H279 PolarHBondContact O-N 2.65Å; H279-R281 PolarHBondContact O-N 3.36Å; H279-E282 PolarHBondContact O-N 3.37Å; H279-N283 PolarHBondContact O-N 2.77Å; H279-N283 VanDerWaalsContact O-N 3.11Å; H279-N283 PolarHBondContact O-ND2 2.63Å |
| 280 | A | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L227 L245 F248 F271 E276 D278 L284 | L227-A280 HydrophobicContact CD1-CB 4.28Å; L245-A280 HydrophobicContact CD2-CB 3.88Å; F248-A280 HydrophobicContact CB-CB 3.69Å; F248-A280 HydrophobicContact CD2-CB 4.44Å; F248-A280 HydrophobicContact CG-CB 4.03Å; F271-A280 HydrophobicContact CE1-CB 4.39Å; F271-A280 HydrophobicContact CE2-CB 3.8Å; F271-A280 HydrophobicContact CZ-CB 3.54Å; E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.46Å; E276-A280 PolarHBondContact O-N 3.23Å; D278-A280 PolarHBondContact O-N 3.38Å; A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 PolarHBondContact O-N 3.47Å; A280-L284 VanDerWaalsContact O-N 3.15Å |
| 281 | R | 96.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 53.8 Ų | 53.8 | 23% | 0.226 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 176.8 | -174.5 | -169.4 | 64.3 | -119.2 | -17.2 | 111.2 | L227 A277 D278 H279 N283 N285 I296 N298 | L227-R281 HydrophobicContact CD1-CB 4.46Å; A277-R281 VanDerWaalsContact O-CB 3.32Å; A277-R281 WeakPolarHBondContact O-CB 3.49Å; A277-R281 PolarHBondContact O-N 2.76Å; D278-R281 PolarHBondContact O-N 3.28Å; D278-R281 IonicContact OD1-CZ 2.82Å; D278-R281 IonicContact OD1-NH1 3.18Å; D278-R281 PolarHBondContact OD1-NH1 3.44Å; D278-R281 IonicContact OD1-NH2 2.66Å; D278-R281 PolarHBondContact OD1-NH2 3.29Å; H279-R281 PolarHBondContact O-N 3.36Å; R281-N283 PolarHBondContact O-N 3.48Å; R281-N285 HydrophobicContact CG-CB 4.48Å; R281-N285 WeakPolarHBondContact O-CB 3.37Å; R281-N285 PolarHBondContact O-N 3.03Å; R281-I296 HydrophobicContact CB-CG2 4.16Å; R281-I296 HydrophobicContact CG-CB 4.23Å; R281-I296 HydrophobicContact CG-CG2 4.03Å; R281-I296 WeakPolarHBondContact CG-O 3.34Å; R281-N298 PolarHBondContact NH1-ND2 2.97Å; R281-N298 PolarHBondContact NH1-OD1 3.29Å |
| 282 | E | 96.1 | Very high | 95.4 | Very high | 155 Ų | 155 | 57.3 Ų | 57.3 | 72% | 0.724 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.1 | -41.1 | -175.6 | -174.8 | 164.3 | -163.4 | 0 | 0 | 112.6 | D278 H279 | D278-E282 WeakPolarHBondContact O-CB 3.4Å; D278-E282 PolarHBondContact O-N 3.36Å; H279-E282 PolarHBondContact O-N 3.37Å |
| 283 | N | 95.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -78.7 | -34.2 | -177.5 | -75 | -89.3 | 0 | 0 | 0 | 114 | F248 H279 R281 T287 | F248-N283 HydrophobicContact CD1-CB 4.3Å; F248-N283 HydrophobicContact CE1-CB 3.4Å; F248-N283 HydrophobicContact CZ-CB 3.75Å; H279-N283 PolarHBondContact O-N 2.77Å; H279-N283 VanDerWaalsContact O-N 3.11Å; H279-N283 PolarHBondContact O-ND2 2.63Å; R281-N283 PolarHBondContact O-N 3.48Å; N283-T287 VanDerWaalsContact O-CG2 3.25Å; N283-T287 WeakPolarHBondContact O-CG2 3.34Å |
| 284 | L | 96.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -101.8 | -19.1 | -174.2 | -71.6 | 170.5 | 0 | 0 | 0 | 114.6 | L244 L245 F248 A280 G286 T287 I294 I296 | L244-L284 HydrophobicContact CD1-CD2 3.87Å; L244-L284 HydrophobicContact CG-CD1 4.02Å; L244-L284 HydrophobicContact CG-CD2 4.21Å; L245-L284 HydrophobicContact CD2-CD1 3.43Å; L245-L284 VanDerWaalsContact CD2-CD1 3.43Å; L245-L284 HydrophobicContact CG-CD1 3.9Å; F248-L284 HydrophobicContact CD2-CD1 3.97Å; F248-L284 HydrophobicContact CE2-CD1 3.53Å; F248-L284 HydrophobicContact CE2-CD2 4.3Å; F248-L284 HydrophobicContact CE2-CG 3.78Å; F248-L284 HydrophobicContact CZ-CD1 4.3Å; F248-L284 HydrophobicContact CZ-CG 4.06Å; A280-L284 WeakPolarHBondContact O-CB 3.49Å; A280-L284 PolarHBondContact O-N 3.47Å; A280-L284 VanDerWaalsContact O-N 3.15Å; L284-G286 PolarHBondContact O-N 3.03Å; L284-G286 VanDerWaalsContact O-N 3.1Å; L284-T287 HydrophobicContact CD2-CG2 4.39Å; L284-T287 WeakPolarHBondContact O-CB 3.45Å; L284-T287 PolarHBondContact O-N 2.8Å; L284-T287 VanDerWaalsContact O-N 3.07Å; L284-T287 PolarHBondContact O-OG1 2.89Å; L284-I294 HydrophobicContact CB-CD1 4.39Å; L284-I296 HydrophobicContact CB-CD1 3.54Å; L284-I296 HydrophobicContact CD1-CD1 4.3Å |
| 285 | N | 96.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 113.7 | 179.4 | -179.1 | 44.8 | 0 | 0 | 0 | 111.3 | R281 E295 I296 | R281-N285 HydrophobicContact CG-CB 4.48Å; R281-N285 WeakPolarHBondContact O-CB 3.37Å; R281-N285 PolarHBondContact O-N 3.03Å; N285-E295 WeakPolarHBondContact OD1-CA 3.42Å; N285-I296 HydrophobicContact CB-CB 4.19Å; N285-I296 PolarHBondContact OD1-N 3.32Å; N285-I296 PolarHBondContact OD1-O 2.89Å |
| 286 | G | 95.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | 6.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L284 K293 I294 | L284-G286 PolarHBondContact O-N 3.03Å; L284-G286 VanDerWaalsContact O-N 3.1Å; G286-K293 WeakPolarHBondContact O-CE 3.21Å; G286-K293 WeakPolarHBondContact O-CG 3.39Å; G286-I294 WeakPolarHBondContact CA-O 3.04Å; G286-I294 PolarHBondContact N-O 3Å |
| 287 | T | 96.3 | Very high | 96 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.282 | 33% | 0.331 | S | S | . | . | | | trans | -71 | 163.5 | 168.7 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | N283 L284 K293 I294 | N283-T287 VanDerWaalsContact O-CG2 3.25Å; N283-T287 WeakPolarHBondContact O-CG2 3.34Å; L284-T287 HydrophobicContact CD2-CG2 4.39Å; L284-T287 WeakPolarHBondContact O-CB 3.45Å; L284-T287 PolarHBondContact O-N 2.8Å; L284-T287 VanDerWaalsContact O-N 3.07Å; L284-T287 PolarHBondContact O-OG1 2.89Å; T287-K293 CarbonylContact O-C 3.57Å; T287-K293 VanDerWaalsContact O-CA 3.31Å; T287-K293 WeakPolarHBondContact O-CA 3.45Å; T287-I294 PolarHBondContact O-N 2.72Å; T287-I294 WeakPolarHBondContact OG1-CG1 3.23Å |
| 288 | V | 96.1 | Very high | 96 | Very high | 102 Ų | 102 | 67.1 Ų | 67.1 | 62% | 0.618 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.1 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | R292 K293 | V288-R292 CarbonylContact C-O 3.55Å; V288-R292 WeakPolarHBondContact CA-O 3.22Å; V288-K293 HydrophobicContact CG2-CB 4.42Å |
| 289 | V | 94.5 | Very high | 96 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125 | -175.8 | -178 | 0 | 0 | 0 | 0 | 109.2 | F236 L244 G291 R292 I294 | F236-V289 HydrophobicContact CE1-CG1 4.15Å; F236-V289 HydrophobicContact CE2-CG1 4.08Å; F236-V289 HydrophobicContact CZ-CG1 3.43Å; F236-V289 VanDerWaalsContact CZ-CG1 3.43Å; L244-V289 HydrophobicContact CD1-CG2 4.49Å; L244-V289 HydrophobicContact CD2-CG2 4.21Å; V289-G291 PolarHBondContact O-N 3.29Å; V289-G291 VanDerWaalsContact O-N 3.13Å; V289-R292 PolarHBondContact N-O 2.9Å; V289-R292 PolarHBondContact O-N 2.9Å; V289-I294 HydrophobicContact CB-CG2 4.02Å; V289-I294 HydrophobicContact CG2-CD1 3.96Å; V289-I294 HydrophobicContact CG2-CG1 4.13Å; V289-I294 HydrophobicContact CG2-CG2 4.07Å |
| 290 | E | 93.2 | Very high | 95.7 | Very high | 122 Ų | 122 | 66.9 Ų | 66.9 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 39.2 | -167.9 | -56.7 | -164.3 | 132.8 | 0 | 0 | 113.7 | P233 F236 R292 | P233-E290 HydrophobicContact CB-CB 4.37Å; P233-E290 HydrophobicContact CB-CG 4.5Å; P233-E290 WeakPolarHBondContact CB-OE2 3.38Å; P233-E290 HydrophobicContact CG-CB 3.69Å; P233-E290 HydrophobicContact CG-CG 3.9Å; P233-E290 VanDerWaalsContact CG-OE2 3.28Å; P233-E290 WeakPolarHBondContact CG-OE2 3.49Å; F236-E290 HydrophobicContact CE2-CG 4.37Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 3.36Å |
| 291 | G | 95.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 70 Ų | 70 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 6.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V289 | V289-G291 PolarHBondContact O-N 3.29Å; V289-G291 VanDerWaalsContact O-N 3.13Å |
| 292 | R | 96.3 | Very high | 94.5 | Very high | 75 Ų | 75 | 71.9 Ų | 71.9 | 28% | 0.283 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.8 | 174.2 | -58.5 | -175.9 | -178.9 | -159 | -7.8 | 110.7 | N231 I232 V288 V289 E290 I294 | N231-R292 WeakPolarHBondContact O-CB 3.39Å; I232-R292 PolarHBondContact O-NH1 3.34Å; V288-R292 CarbonylContact C-O 3.55Å; V288-R292 WeakPolarHBondContact CA-O 3.22Å; V289-R292 PolarHBondContact N-O 2.9Å; V289-R292 PolarHBondContact O-N 2.9Å; E290-R292 VanDerWaalsContact C-N 3.29Å; E290-R292 PolarHBondContact O-N 3.36Å; R292-I294 PolarHBondContact O-N 3.47Å |
| 293 | K | 97.1 | Very high | 93.6 | Very high | 118 Ų | 118 | 70.4 Ų | 70.4 | 51% | 0.513 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 109.7 | 171.5 | -174.4 | -177.7 | 178.2 | -173 | 0 | 109.5 | N231 G286 T287 V288 | N231-K293 WeakPolarHBondContact CB-O 3.26Å; N231-K293 PolarHBondContact ND2-O 3.11Å; G286-K293 WeakPolarHBondContact O-CE 3.21Å; G286-K293 WeakPolarHBondContact O-CG 3.39Å; T287-K293 CarbonylContact O-C 3.57Å; T287-K293 VanDerWaalsContact O-CA 3.31Å; T287-K293 WeakPolarHBondContact O-CA 3.45Å; V288-K293 HydrophobicContact CG2-CB 4.42Å |
| 294 | I | 97 | Very high | 92.2 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.409 | C | S | . | . | | | trans | -80.7 | 152.4 | 177.4 | 63.8 | 161.7 | 0 | 0 | 0 | 110.9 | S230 I232 L244 L284 G286 T287 V289 R292 I296 | S230-I294 WeakPolarHBondContact O-CA 3.47Å; I232-I294 HydrophobicContact CG2-CG2 3.98Å; L244-I294 HydrophobicContact CD2-CD1 3.86Å; L284-I294 HydrophobicContact CB-CD1 4.39Å; G286-I294 WeakPolarHBondContact CA-O 3.04Å; G286-I294 PolarHBondContact N-O 3Å; T287-I294 PolarHBondContact O-N 2.72Å; T287-I294 WeakPolarHBondContact OG1-CG1 3.23Å; V289-I294 HydrophobicContact CB-CG2 4.02Å; V289-I294 HydrophobicContact CG2-CD1 3.96Å; V289-I294 HydrophobicContact CG2-CG1 4.13Å; V289-I294 HydrophobicContact CG2-CG2 4.07Å; R292-I294 PolarHBondContact O-N 3.47Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å |
| 295 | E | 97.1 | Very high | 90.4 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.8 | 178.6 | -63.1 | -175.1 | 163.8 | 0 | 0 | 109.7 | V229 S230 N285 | V229-E295 WeakPolarHBondContact CA-O 3.34Å; S230-E295 PolarHBondContact N-O 3.04Å; S230-E295 PolarHBondContact O-N 3.49Å; N285-E295 WeakPolarHBondContact OD1-CA 3.42Å |
| 296 | I | 97.3 | Very high | 88 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.005 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.3 | -179.3 | -51.9 | -166.6 | 0 | 0 | 0 | 109.7 | L227 H228 V229 L245 R281 L284 N285 I294 | L227-I296 HydrophobicContact CB-CG2 3.99Å; L227-I296 HydrophobicContact CD1-CG2 3.77Å; L227-I296 HydrophobicContact CG-CG2 4.32Å; H228-I296 WeakPolarHBondContact O-CA 3.49Å; V229-I296 HydrophobicContact CG1-CD1 4.42Å; V229-I296 HydrophobicContact CG1-CG1 4.25Å; V229-I296 HydrophobicContact CG2-CD1 4.36Å; V229-I296 HydrophobicContact CG2-CG1 4.42Å; V229-I296 HydrophobicContact CG2-CG2 4.48Å; L245-I296 HydrophobicContact CD2-CD1 4.07Å; R281-I296 HydrophobicContact CB-CG2 4.16Å; R281-I296 HydrophobicContact CG-CB 4.23Å; R281-I296 HydrophobicContact CG-CG2 4.03Å; R281-I296 WeakPolarHBondContact CG-O 3.34Å; L284-I296 HydrophobicContact CB-CD1 3.54Å; L284-I296 HydrophobicContact CD1-CD1 4.3Å; N285-I296 HydrophobicContact CB-CB 4.19Å; N285-I296 PolarHBondContact OD1-N 3.32Å; N285-I296 PolarHBondContact OD1-O 2.89Å; I294-I296 HydrophobicContact CD1-CD1 4.45Å |
| 297 | N | 96.7 | Very high | 85.8 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 161.1 | -178.4 | -77.3 | -78 | 0 | 0 | 0 | 110.9 | L227 H228 | L227-N297 CarbonylContact C-O 3.5Å; L227-N297 WeakPolarHBondContact CA-O 3.27Å; H228-N297 PolarHBondContact N-O 2.96Å; H228-N297 PolarHBondContact O-N 2.79Å |
| 298 | N | 95.7 | Very high | 83.1 | Confident | 99 Ų | 99 | 97.3 Ų | 97.3 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 136.4 | 173.2 | -63.1 | -21.1 | 0 | 0 | 0 | 109.8 | R281 | R281-N298 PolarHBondContact NH1-ND2 2.97Å; R281-N298 PolarHBondContact NH1-OD1 3.29Å |
| 299 | A | 94.9 | Very high | 80.3 | Confident | 23 Ų | 23 | 97.6 Ų | 97.6 | 19% | 0.19 | 52% | 0.517 | C | S | . | . | | | trans | -111.9 | 151.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R226 H228 F268 A301 | R226-A299 HydrophobicContact CB-CB 4.24Å; R226-A299 HydrophobicContact CG-CB 4.07Å; R226-A299 WeakPolarHBondContact O-CA 3.47Å; R226-A299 WeakPolarHBondContact O-CB 3.19Å; R226-A299 PolarHBondContact O-N 3.43Å; H228-A299 HydrophobicContact CB-CB 3.99Å; F268-A299 HydrophobicContact CD1-CB 3.82Å; F268-A299 HydrophobicContact CE1-CB 4.12Å; A299-A301 PolarHBondContact O-N 3.3Å |
| 300 | T | 90.1 | Very high | 77.8 | Confident | 117 Ų | 117 | 103.6 Ų | 103.6 | 72% | 0.718 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 133.8 | 166 | -40 | 0 | 0 | 0 | 0 | 109.5 | R226 | R226-T300 PolarHBondContact NH1-O 2.91Š|
| 301 | A | 83.8 | Confident | 75.1 | Confident | 65 Ų | 65 | 101 Ų | 101 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 149.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A299 V303 | A299-A301 PolarHBondContact O-N 3.3Å; A301-V303 PolarHBondContact O-N 3.49Å |
| 302 | R | 84 | Confident | 72.8 | Confident | 99 Ų | 99 | 102.5 Ų | 102.5 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 125.8 | 174.2 | -67.7 | -155.4 | -162.8 | 107.5 | 4 | 108.8 | D253 E255 M304 | D253-R302 IonicContact OD1-NH2 3.8Å; D253-R302 IonicContact OD2-CZ 2.8Å; D253-R302 IonicContact OD2-NH1 3.77Å; D253-R302 PolarHBondContact OD2-NH1 3.37Å; D253-R302 IonicContact OD2-NH2 2.75Å; D253-R302 PolarHBondContact OD2-NH2 2.71Å; E255-R302 IonicContact OE2-CZ 2.65Å; E255-R302 IonicContact OE2-NE 2.8Å; E255-R302 PolarHBondContact OE2-NE 2.96Å; E255-R302 IonicContact OE2-NH2 2.73Å; E255-R302 PolarHBondContact OE2-NH2 3.09Å; R302-M304 PolarHBondContact O-N 2.95Å |
| 303 | V | 76.2 | Confident | 70.1 | Confident | 124 Ų | 124 | 103.9 Ų | 103.9 | 75% | 0.752 | 55% | 0.553 | S | S | * | * | | | trans | -72.8 | 80.2 | 174 | -176 | 0 | 0 | 0 | 0 | 108.7 | A301 T305 | A301-V303 PolarHBondContact O-N 3.49Å; V303-T305 HydrophobicContact CG1-CG2 4.38Å; V303-T305 PolarHBondContact O-N 3.22Å |
| 304 | M | 66.2 | Low | 67.6 | Low | 145 Ų | 145 | 105.4 Ų | 105.4 | 71% | 0.714 | 57% | 0.566 | S | S | * | * | | | trans | -71.6 | 84.9 | 169.9 | -72.3 | -161.5 | 172.3 | 0 | 0 | 109.1 | R302 K306 | R302-M304 PolarHBondContact O-N 2.95Å; M304-K306 PolarHBondContact O-N 3.15Å |
| 305 | T | 57.8 | Low | 65 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 72% | 0.724 | 60% | 0.6 | S | S | * | * | | | trans | -52.8 | 114 | 161.2 | 53.5 | 0 | 0 | 0 | 0 | 107.4 | V303 K307 | V303-T305 HydrophobicContact CG1-CG2 4.38Å; V303-T305 PolarHBondContact O-N 3.22Å; T305-K307 PolarHBondContact O-N 2.8Å |
| 306 | K | 47.2 | Very low | 62.2 | Low | 204 Ų | 204 | 114.5 Ų | 114.5 | 89% | 0.887 | 61% | 0.61 | S | S | * | * | | | trans | -69 | 73.9 | 177.7 | -69.3 | -171.6 | 177.8 | -176.3 | 0 | 110.5 | M304 K308 | M304-K306 PolarHBondContact O-N 3.15Å; K306-K308 PolarHBondContact O-N 2.97Å; K306-K308 VanDerWaalsContact O-N 3.15Å |
| 307 | K | 49.3 | Very low | 59.8 | Low | 191 Ų | 191 | 120.3 Ų | 120.3 | 83% | 0.83 | 65% | 0.646 | S | S | * | * | | | trans | -49.7 | 120.7 | 150.8 | 176.7 | -173.7 | 176.3 | -172.9 | 0 | 104.6 | T305 S309 | T305-K307 PolarHBondContact O-N 2.8Å; K307-S309 PolarHBondContact O-N 3.02Å |
| 308 | K | 39.4 | Very low | 57.2 | Low | 171 Ų | 171 | 119.7 Ų | 119.7 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | | | trans | -45.2 | 104.4 | -175.6 | -98.1 | -177.8 | 171 | -177.5 | 0 | 109.6 | K306 E310 | K306-K308 PolarHBondContact O-N 2.97Å; K306-K308 VanDerWaalsContact O-N 3.15Å; K308-E310 PolarHBondContact O-N 3.12Å |
| 309 | S | 38.2 | Very low | 54.9 | Low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | | | trans | -63.1 | 115.4 | 162.1 | 49.5 | 0 | 0 | 0 | 0 | 105.2 | K307 S311 | K307-S309 PolarHBondContact O-N 3.02Å; S309-S311 PolarHBondContact O-N 2.87Å |
| 310 | E | 41.8 | Very low | 52.6 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | | | trans | -62.8 | 112.2 | 170.3 | -71.7 | -168.8 | 98 | 0 | 0 | 107 | K308 K316 | K308-E310 PolarHBondContact O-N 3.12Å; E310-K316 IonicContact OE1-NZ 2.87Å; E310-K316 PolarHBondContact OE1-NZ 3.44Å |
| 311 | S | 36.4 | Very low | 50.6 | Low | 67 Ų | 67 | 125.1 Ų | 125.1 | 47% | 0.469 | 68% | 0.681 | S | S | . | * | | | trans | -58.5 | 155.7 | 160.5 | 65.8 | 0 | 0 | 0 | 0 | 108 | S309 T313 | S309-S311 PolarHBondContact O-N 2.87Å; S311-T313 PolarHBondContact O-N 2.88Å |
| 312 | P | 45.6 | Very low | 48.6 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -46.8 | 139.8 | 164.3 | 20.8 | -32.6 | 0 | 0 | 0 | 110.4 | L314 | P312-L314 PolarHBondContact O-N 3.19Š|
| 313 | T | 40.1 | Very low | 46.3 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -74.3 | 79 | -153.8 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | S311 K316 | S311-T313 PolarHBondContact O-N 2.88Å; T313-K316 HydrophobicContact CG2-CD 4.2Å |
| 314 | L | 45.2 | Very low | 44.9 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | | | trans | -135.3 | -6.6 | 172.1 | -88.5 | -179.8 | 0 | 0 | 0 | 116.8 | P312 | P312-L314 PolarHBondContact O-N 3.19Š|
| 315 | L | 41.9 | Very low | 43.7 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | | | trans | -117.4 | 65.5 | 174.5 | -92.3 | 85.5 | 0 | 0 | 0 | 113.3 | | |
| 316 | K | 38.6 | Very low | 43 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 65% | 0.652 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -100.4 | 3.9 | 168.2 | -74.1 | 177.6 | 176 | 170.2 | 0 | 113.9 | E310 T313 | E310-K316 IonicContact OE1-NZ 2.87Å; E310-K316 PolarHBondContact OE1-NZ 3.44Å; T313-K316 HydrophobicContact CG2-CD 4.2Å |
| 317 | T | 45.9 | Very low | 42.6 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -97.8 | -14.9 | -178.7 | -36 | 0 | 0 | 0 | 0 | 114.5 | | |
| 318 | A | 43.9 | Very low | 42.3 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 57% | 0.57 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107.8 | 56.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 319 | T | 46.6 | Very low | 42.6 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 64% | 0.638 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -145.6 | -26.5 | 173.2 | -58.5 | 0 | 0 | 0 | 0 | 115.2 | L321 | T319-L321 PolarHBondContact O-N 3Š|
| 320 | T | 45.7 | Very low | 42.9 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -67 | -12.6 | 178.1 | 25.7 | 0 | 0 | 0 | 0 | 114.8 | R322 | T320-R322 VanDerWaalsContact C-N 3.35Å; T320-R322 PolarHBondContact O-N 3.27Å |
| 321 | L | 48.4 | Very low | 43 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -77.8 | -5.2 | -174.5 | -101.7 | 136.2 | 0 | 0 | 0 | 115.9 | T319 G323 I324 | T319-L321 PolarHBondContact O-N 3Å; L321-G323 VanDerWaalsContact C-N 3.26Å; L321-G323 PolarHBondContact O-N 2.99Å; L321-I324 HydrophobicContact CD2-CD1 3.68Å; L321-I324 HydrophobicContact CD2-CG1 3.94Å; L321-I324 HydrophobicContact CG-CD1 4.09Å; L321-I324 HydrophobicContact CG-CG1 4.42Å |
| 322 | R | 42.1 | Very low | 43.3 | Very low | 245 Ų | 245 | 126 Ų | 126 | 93% | 0.925 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -75.1 | -11.4 | -179.5 | -133.9 | -179 | -158.3 | 91.8 | -0.1 | 114.3 | T320 | T320-R322 VanDerWaalsContact C-N 3.35Å; T320-R322 PolarHBondContact O-N 3.27Å |
| 323 | G | 36.5 | Very low | 43.2 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -96.6 | -13.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L321 | L321-G323 VanDerWaalsContact C-N 3.26Å; L321-G323 PolarHBondContact O-N 2.99Å |
| 324 | I | 47.2 | Very low | 43.5 | Very low | 98 Ų | 98 | 125.8 Ų | 125.8 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | | | trans | -104.7 | 19.7 | -167 | 68.3 | 173 | 0 | 0 | 0 | 115.3 | L321 A326 L327 | L321-I324 HydrophobicContact CD2-CD1 3.68Å; L321-I324 HydrophobicContact CD2-CG1 3.94Å; L321-I324 HydrophobicContact CG-CD1 4.09Å; L321-I324 HydrophobicContact CG-CG1 4.42Å; I324-A326 PolarHBondContact O-N 3.35Å; I324-L327 PolarHBondContact O-N 3.43Å |
| 325 | R | 40.9 | Very low | 43.4 | Very low | 239 Ų | 239 | 122.6 Ų | 122.6 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -2.7 | 173 | -154.3 | 171.7 | -168.7 | -171.4 | 3.6 | 113.6 | | |
| 326 | A | 41.3 | Very low | 43.3 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I324 | I324-A326 PolarHBondContact O-N 3.35Š|
| 327 | L | 40.2 | Very low | 43.5 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -127.7 | 16.9 | -173.9 | -146.5 | 77.2 | 0 | 0 | 0 | 115.3 | I324 P329 | I324-L327 PolarHBondContact O-N 3.43Å; L327-P329 WeakPolarHBondContact O-CD 3.39Å |
| 328 | V | 43.5 | Very low | 43.2 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -95 | 110.4 | 168.2 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 329 | P | 45.3 | Very low | 43 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | | | trans | -64.9 | 139.9 | 178 | 27.7 | -34.1 | 0 | 0 | 0 | 110.2 | L327 T331 | L327-P329 WeakPolarHBondContact O-CD 3.39Å; P329-T331 HydrophobicContact CB-CG2 4.44Å; P329-T331 PolarHBondContact O-N 3.47Å |
| 330 | S | 43 | Very low | 42.5 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | | | trans | -78.6 | 67.4 | -177.6 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | S332 | S330-S332 PolarHBondContact O-N 3.32Š|
| 331 | T | 45.2 | Very low | 42.2 | Very low | 102 Ų | 102 | 110.3 Ų | 110.3 | 63% | 0.626 | 68% | 0.678 | S | S | * | * | | | trans | -82 | 100 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | P329 S333 | P329-T331 HydrophobicContact CB-CG2 4.44Å; P329-T331 PolarHBondContact O-N 3.47Å; T331-S333 PolarHBondContact O-N 2.89Å |
| 332 | S | 43.2 | Very low | 41.8 | Very low | 120 Ų | 120 | 107.4 Ų | 107.4 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | | | trans | -75.1 | 41.8 | -172.4 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | S330 | S330-S332 PolarHBondContact O-N 3.32Š|
| 333 | S | 42.4 | Very low | 41.8 | Very low | 76 Ų | 76 | 99.3 Ų | 99.3 | 53% | 0.531 | 66% | 0.657 | S | S | . | * | | | trans | -114.1 | 98.2 | -173.9 | -59 | 0 | 0 | 0 | 0 | 111.2 | T331 A335 A336 | T331-S333 PolarHBondContact O-N 2.89Å; S333-A335 PolarHBondContact O-N 3.49Å; S333-A336 PolarHBondContact O-N 2.88Å |
| 334 | T | 47 | Very low | 42.1 | Very low | 125 Ų | 125 | 102.9 Ų | 102.9 | 77% | 0.767 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -48.8 | -30.5 | -174.3 | -47.6 | 0 | 0 | 0 | 0 | 114.8 | A336 | T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 2.91Å |
| 335 | A | 42.6 | Very low | 41.7 | Very low | 82 Ų | 82 | 108.7 Ų | 108.7 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.8 | -33.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S333 I337 A338 A339 | S333-A335 PolarHBondContact O-N 3.49Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 2.97Å; A335-A338 PolarHBondContact O-N 3.26Å; A335-A339 PolarHBondContact O-N 2.9Å |
| 336 | A | 39.9 | Very low | 41.6 | Very low | 55 Ų | 55 | 101 Ų | 101 | 46% | 0.455 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -68.5 | -31.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S333 T334 A338 A339 A340 | S333-A336 PolarHBondContact O-N 2.88Å; T334-A336 VanDerWaalsContact C-N 3.35Å; T334-A336 PolarHBondContact O-N 2.91Å; A336-A338 VanDerWaalsContact C-N 3.34Å; A336-A338 PolarHBondContact O-N 3.37Å; A336-A339 PolarHBondContact O-N 3.25Å; A336-A340 PolarHBondContact O-N 3.35Å |
| 337 | I | 42.1 | Very low | 41.4 | Very low | 131 Ų | 131 | 100 Ų | 100 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.6 | -35.8 | -178.9 | -56.8 | 175.6 | 0 | 0 | 0 | 110.6 | A335 A341 | A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 2.97Å; I337-A341 PolarHBondContact O-N 3.48Å |
| 338 | A | 39.6 | Very low | 41.1 | Very low | 66 Ų | 66 | 96.8 Ų | 96.8 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.7 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A335 A336 A341 A342 | A335-A338 PolarHBondContact O-N 3.26Å; A336-A338 VanDerWaalsContact C-N 3.34Å; A336-A338 PolarHBondContact O-N 3.37Å; A338-A341 PolarHBondContact O-N 2.98Å; A338-A342 PolarHBondContact O-N 3.47Å |
| 339 | A | 40.5 | Very low | 40.6 | Very low | 64 Ų | 64 | 95 Ų | 95 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -64.4 | -41.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A335 A336 A341 A342 A343 | A335-A339 PolarHBondContact O-N 2.9Å; A336-A339 PolarHBondContact O-N 3.25Å; A339-A341 VanDerWaalsContact C-N 3.3Å; A339-A341 PolarHBondContact O-N 3.36Å; A339-A342 PolarHBondContact O-N 3.32Å; A339-A343 PolarHBondContact O-N 3.37Å; A339-A343 VanDerWaalsContact O-N 3.11Å |
| 340 | A | 37.1 | Very low | 40.4 | Very low | 69 Ų | 69 | 97.3 Ų | 97.3 | 57% | 0.57 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.3 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A336 | A336-A340 PolarHBondContact O-N 3.35Å |
| 341 | A | 37.6 | Very low | 40 | Very low | 65 Ų | 65 | 97.9 Ų | 97.9 | 54% | 0.537 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -70.7 | -30 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I337 A338 A339 | I337-A341 PolarHBondContact O-N 3.48Å; A338-A341 PolarHBondContact O-N 2.98Å; A339-A341 VanDerWaalsContact C-N 3.3Å; A339-A341 PolarHBondContact O-N 3.36Å |
| 342 | A | 40.5 | Very low | 39.4 | Very low | 62 Ų | 62 | 98.6 Ų | 98.6 | 51% | 0.512 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -72.7 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A338 A339 L344 R345 | A338-A342 PolarHBondContact O-N 3.47Å; A339-A342 PolarHBondContact O-N 3.32Å; A342-L344 PolarHBondContact O-N 2.92Å; A342-R345 PolarHBondContact O-N 3.47Å |
| 343 | A | 41.8 | Very low | 38.8 | Very low | 75 Ų | 75 | 96.5 Ų | 96.5 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.2 | -31 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A339 R345 | A339-A343 PolarHBondContact O-N 3.37Å; A339-A343 VanDerWaalsContact O-N 3.11Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.06Å |
| 344 | L | 43.9 | Very low | 38.5 | Very low | 140 Ų | 140 | 100.9 Ų | 100.9 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -76.3 | -17.7 | 179.3 | -156.9 | 68 | 0 | 0 | 0 | 113.8 | A342 | A342-L344 PolarHBondContact O-N 2.92Š|
| 345 | R | 39.3 | Very low | 37.8 | Very low | 221 Ų | 221 | 101.1 Ų | 101.1 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -77.6 | -18 | 176.6 | -74.6 | -177 | 174 | 153.6 | -1.1 | 113.8 | A342 A343 | A342-R345 PolarHBondContact O-N 3.47Å; A343-R345 VanDerWaalsContact C-N 3.34Å; A343-R345 PolarHBondContact O-N 3.06Å |
| 346 | G | 37.1 | Very low | 37.6 | Very low | 77 Ų | 77 | 103.8 Ų | 103.8 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -81.6 | -7.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 347 | A | 36.8 | Very low | 37.5 | Very low | 79 Ų | 79 | 107.1 Ų | 107.1 | 65% | 0.653 | 71% | 0.714 | S | S | * | * | | | trans | -105.5 | -2.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G349 | A347-G349 PolarHBondContact O-N 3.28Š|
| 348 | A | 35.4 | Very low | 36.9 | Very low | 90 Ų | 90 | 106 Ų | 106 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | | | trans | -83.8 | 46.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I350 | A348-I350 PolarHBondContact O-N 3.43Å; A348-I350 VanDerWaalsContact O-N 3.16Å |
| 349 | G | 32 | Very low | 37.1 | Very low | 74 Ų | 74 | 111 Ų | 111 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | | | trans | -82.9 | 78.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | A347 | A347-G349 PolarHBondContact O-N 3.28Š|
| 350 | I | 42.3 | Very low | 37 | Very low | 143 Ų | 143 | 113.4 Ų | 113.4 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | -132.2 | 102.4 | 170 | -51.3 | -178.5 | 0 | 0 | 0 | 108.8 | A348 | A348-I350 PolarHBondContact O-N 3.43Å; A348-I350 VanDerWaalsContact O-N 3.16Å |
| 351 | T | 33.1 | Very low | 37 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | trans | -93.8 | 129.7 | -178 | 42.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 352 | C | 33.9 | Very low | 37.2 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -138.8 | 85.4 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 353 | G | 30 | Very low | 36.9 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | 54.9 | 85.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 354 | L | 35.2 | Very low | 36.5 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | | | trans | -136.9 | 142.2 | 143.2 | -77.3 | -179.6 | 0 | 0 | 0 | 109.3 | V356 | L354-V356 PolarHBondContact O-N 3.25Š|
| 355 | P | 33.6 | Very low | 36.1 | Very low | 130 Ų | 130 | 124.8 Ų | 124.8 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -79.1 | 106.1 | -175.8 | 30.8 | -33.6 | 0 | 0 | 0 | 111.4 | | |
| 356 | V | 38.2 | Very low | 35.6 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 131.5 | 166.3 | 70.8 | 0 | 0 | 0 | 0 | 109.7 | L354 S358 | L354-V356 PolarHBondContact O-N 3.25Å; V356-S358 PolarHBondContact O-N 3.03Å |
| 357 | V | 38 | Very low | 35.3 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 124.3 | -179.2 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 358 | S | 30.1 | Very low | 35 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.5 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | V356 | V356-S358 PolarHBondContact O-N 3.03Š|
| 359 | M | 43 | Very low | 34.8 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | -133.6 | 143.7 | 156.5 | -80.6 | -64.8 | 161 | 0 | 0 | 109.7 | | |
| 360 | P | 37.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | trans | -90.9 | 154.3 | -160 | 34.9 | -37.1 | 0 | 0 | 0 | 115.2 | | |
| 361 | T | 36.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -72.8 | 148.6 | 165.2 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 362 | P | 42.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 119.1 Ų | 119.1 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | | -128.2 | 130.2 | 112 | 34.3 | -27.1 | 0 | 0 | 0 | 111 | | |
| 363 | S | 35.5 | Very low | 34.5 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | | | | 94.9 | 117.3 | 59.8 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 364 | N | 32.9 | Very low | 34.6 | Very low | 155 Ų | 155 | 120.9 Ų | 120.9 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | | | trans | 69.8 | 150.7 | 169.3 | -57.4 | -38.9 | 0 | 0 | 0 | 116.1 | | |
| 365 | L | 34.2 | Very low | 34.4 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | cis | -145.5 | 175.8 | 3.5 | -131 | 160.6 | 0 | 0 | 0 | 110.1 | | |
| 366 | A | 30 | Very low | 34.2 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | trans | -73.2 | 177.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 367 | S | 31.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 114.8 Ų | 114.8 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | | | cis | -169.8 | 159.7 | 21.3 | -159.1 | 0 | 0 | 0 | 0 | 112 | | |
| 368 | M | 29.5 | Very low | 33.4 | Very low | 169 Ų | 169 | 115.5 Ų | 115.5 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | | | trans | 63.2 | 164.7 | 154.7 | -71 | 158.7 | 65.7 | 0 | 0 | 117.1 | | |
| 369 | V | 31.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | | | cis | -143.1 | 163.1 | -4.7 | 100.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 370 | V | 31.5 | Very low | 32.7 | Very low | 92 Ų | 92 | 115 Ų | 115 | 56% | 0.558 | 72% | 0.723 | S | S | * | * | | | trans | -53.4 | 153 | 179.3 | -168.9 | 0 | 0 | 0 | 0 | 117.7 | A688 | V370-A688 HydrophobicContact CB-CB 4.1Å; V370-A688 HydrophobicContact CG1-CB 3.75Å; V370-A688 HydrophobicContact CG2-CB 3.27Å |
| 371 | G | 33.8 | Very low | 32.2 | Very low | 62 Ų | 62 | 117.7 Ų | 117.7 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | 127.5 | 120.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 372 | S | 36.6 | Very low | 31.7 | Very low | 82 Ų | 82 | 115.7 Ų | 115.7 | 57% | 0.573 | 72% | 0.722 | S | S | * | * | | | | 57.7 | 122.5 | 50.8 | -59.1 | 0 | 0 | 0 | 0 | 113.4 | A686 | S372-A686 WeakPolarHBondContact OG-CB 3.16Š|
| 373 | G | 33.3 | Very low | 30.9 | Very low | 60 Ų | 60 | 115 Ų | 115 | 62% | 0.619 | 72% | 0.719 | S | S | * | * | | | cis | 174.9 | -172.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 374 | L | 32 | Very low | 30.5 | Very low | 170 Ų | 170 | 119.3 Ų | 119.3 | 89% | 0.89 | 73% | 0.727 | S | S | * | * | | | trans | 64.8 | 157.9 | -176.9 | -63.5 | 104.4 | 0 | 0 | 0 | 115.6 | M682 | L374-M682 HydrophobicContact CD2-SD 4.3Š|
| 375 | G | 31 | Very low | 30.2 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | | | cis | 162.3 | 71.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 376 | G | 29.2 | Very low | 30 | Very low | 72 Ų | 72 | 113.2 Ų | 113.2 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | | | trans | 82.9 | 143.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 377 | L | 30.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 115 Ų | 115 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | | | | -177.4 | 139.8 | 125.8 | -97.2 | 165.7 | 0 | 0 | 0 | 111 | | |
| 378 | L | 29.1 | Very low | 30.3 | Very low | 141 Ų | 141 | 117.4 Ų | 117.4 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 53.5 | 129.5 | 144.4 | -80.9 | 171.5 | 0 | 0 | 0 | 123.4 | | |
| 379 | Q | 30.2 | Very low | 30.5 | Very low | 150 Ų | 150 | 114.8 Ų | 114.8 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | | 79.5 | 135 | 129.9 | -147.5 | 76.2 | -9.2 | 0 | 0 | 120.8 | | |
| 380 | N | 28.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 116.1 Ų | 116.1 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | | | trans | 61 | 118.9 | 157.6 | -79.5 | 5.4 | 0 | 0 | 0 | 118.3 | | |
| 381 | Q | 27.4 | Very low | 30.3 | Very low | 172 Ų | 172 | 118.8 Ų | 118.8 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | | 78.3 | 139.3 | 72.1 | -77.7 | -169.7 | -18.9 | 0 | 0 | 114.5 | | |
| 382 | A | 25.9 | Very low | 30 | Very low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | | | trans | 73.5 | 95.4 | 154 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 383 | C | 25.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 124 Ų | 124 | 69% | 0.689 | 76% | 0.755 | S | S | * | * | | | | 80 | 172.6 | 122.4 | -152.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 384 | F | 26.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 63.2 | 83 | 174.3 | -47.9 | -69.1 | 0 | 0 | 0 | 114.1 | | |
| 385 | A | 27.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | cis | 69.2 | 107.8 | 43.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 386 | A | 30 | Very low | 28.8 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -159.2 | 133.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 387 | T | 33.3 | Very low | 28.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 42.5 | 125.8 | 154 | 58.4 | 0 | 0 | 0 | 0 | 120 | | |
| 388 | N | 34.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | cis | -150.1 | 154.8 | 10.6 | -95.7 | -26.8 | 0 | 0 | 0 | 112.2 | | |
| 389 | P | 34.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | trans | -89.9 | 128.7 | -179.6 | 34.3 | -32.2 | 0 | 0 | 0 | 113 | | |
| 390 | T | 33.3 | Very low | 28.1 | Very low | 149 Ų | 149 | 122.8 Ų | 122.8 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | | | trans | -130.1 | 78.8 | 156.2 | 34.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 391 | L | 25.9 | Very low | 28 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -71 | 158 | 175.5 | -156.2 | 86.5 | 0 | 0 | 0 | 110.3 | | |
| 392 | T | 27 | Very low | 28 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | 49.1 | 90.7 | 158.7 | 44.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 393 | N | 27.6 | Very low | 28.1 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | | 172.7 | 78.2 | 120.1 | -86.5 | -7.2 | 0 | 0 | 0 | 113.3 | | |
| 394 | I | 28.2 | Very low | 28.5 | Very low | 161 Ų | 161 | 125.6 Ų | 125.6 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | | | trans | -135.1 | 47.6 | 144.5 | -41.2 | 178.2 | 0 | 0 | 0 | 109.3 | | |
| 395 | A | 26.3 | Very low | 28.9 | Very low | 85 Ų | 85 | 120.4 Ų | 120.4 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -95.5 | 142.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 396 | A | 24.7 | Very low | 29.3 | Very low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 63.3 | 81.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 397 | M | 26.7 | Very low | 29.6 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | | | trans | -130 | 145.9 | 139.2 | -88.7 | -68.4 | 164.2 | 0 | 0 | 107.2 | | |
| 398 | P | 25.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | trans | -70.7 | 146.5 | -166.7 | 27.8 | -34.7 | 0 | 0 | 0 | 112.8 | G400 | P398-G400 PolarHBondContact O-N 3.29Å; P398-G400 VanDerWaalsContact O-N 3.15Å |
| 399 | A | 27.9 | Very low | 29.7 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 96% | 0.959 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -66.7 | 111 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 400 | G | 25.3 | Very low | 29.9 | Very low | 62 Ų | 62 | 116.6 Ų | 116.6 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | | | trans | -164.8 | 166.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P398 | P398-G400 PolarHBondContact O-N 3.29Å; P398-G400 VanDerWaalsContact O-N 3.15Å |
| 401 | N | 26.6 | Very low | 29.9 | Very low | 146 Ų | 146 | 112.2 Ų | 112.2 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 64.8 | 83.4 | 176.7 | -60.7 | 0.7 | 0 | 0 | 0 | 116.6 | F403 | N401-F403 PolarHBondContact O-N 3.29Š|
| 402 | T | 26.7 | Very low | 30.3 | Very low | 135 Ų | 135 | 108 Ų | 108 | 83% | 0.828 | 67% | 0.667 | S | S | * | * | | | | 46.9 | 72.6 | 120.3 | -41.2 | 0 | 0 | 0 | 0 | 117.5 | N404 | T402-N404 PolarHBondContact O-N 2.75Å; T402-N404 VanDerWaalsContact O-N 3.1Å |
| 403 | F | 28.4 | Very low | 30.5 | Very low | 167 Ų | 167 | 105.2 Ų | 105.2 | 73% | 0.732 | 66% | 0.655 | S | S | * | * | | | trans | -71.9 | 101.1 | 161.9 | -84.3 | -84.9 | 0 | 0 | 0 | 110.8 | N401 Q407 | N401-F403 PolarHBondContact O-N 3.29Å; F403-Q407 HydrophobicContact CD1-CB 4.1Å |
| 404 | N | 33.3 | Very low | 30.9 | Very low | 87 Ų | 87 | 102.8 Ų | 102.8 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | | | trans | -56.6 | 142 | 169.4 | -176.3 | -36.3 | 0 | 0 | 0 | 110.1 | T402 N406 Q407 A408 | T402-N404 PolarHBondContact O-N 2.75Å; T402-N404 VanDerWaalsContact O-N 3.1Å; N404-N406 PolarHBondContact O-N 3.48Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N404-N406 WeakPolarHBondContact OD1-CB 3.38Å; N404-N406 PolarHBondContact OD1-N 3.29Å; N404-Q407 WeakPolarHBondContact O-CA 3.29Å; N404-Q407 WeakPolarHBondContact O-CB 3.49Å; N404-Q407 PolarHBondContact O-N 3.24Å; N404-A408 PolarHBondContact O-N 2.95Å |
| 405 | A | 34.7 | Very low | 31.1 | Very low | 70 Ų | 70 | 98 Ų | 98 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -54.2 | -29.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q407 A408 L409 | A405-Q407 VanDerWaalsContact C-N 3.31Å; A405-Q407 PolarHBondContact O-N 3.19Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.11Å; A405-A408 VanDerWaalsContact O-N 3.15Å; A405-L409 PolarHBondContact O-N 3.32Å |
| 406 | N | 36 | Very low | 31.3 | Very low | 113 Ų | 113 | 98.9 Ų | 98.9 | 60% | 0.604 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.7 | -29.9 | 173.5 | -62.1 | -18.8 | 0 | 0 | 0 | 112.6 | N404 L410 | N404-N406 PolarHBondContact O-N 3.48Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N404-N406 WeakPolarHBondContact OD1-CB 3.38Å; N404-N406 PolarHBondContact OD1-N 3.29Å; N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.75Å |
| 407 | Q | 36.3 | Very low | 31.6 | Very low | 100 Ų | 100 | 98.1 Ų | 98.1 | 47% | 0.467 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.8 | -26.7 | 169.3 | -79 | -164.1 | 2.1 | 0 | 0 | 113.1 | F403 N404 A405 L409 L410 A411 | F403-Q407 HydrophobicContact CD1-CB 4.1Å; N404-Q407 WeakPolarHBondContact O-CA 3.29Å; N404-Q407 WeakPolarHBondContact O-CB 3.49Å; N404-Q407 PolarHBondContact O-N 3.24Å; A405-Q407 VanDerWaalsContact C-N 3.31Å; A405-Q407 PolarHBondContact O-N 3.19Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; Q407-L410 PolarHBondContact O-N 2.82Å; Q407-A411 WeakPolarHBondContact O-CB 3.42Å; Q407-A411 PolarHBondContact O-N 3.11Å |
| 408 | A | 35 | Very low | 31.6 | Very low | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.8 | -40 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N404 A405 A412 | N404-A408 PolarHBondContact O-N 2.95Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.11Å; A405-A408 VanDerWaalsContact O-N 3.15Å; A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.03Å |
| 409 | L | 34.9 | Very low | 31.9 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 58% | 0.576 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.1 | -41.7 | 170.1 | -82 | 161.5 | 0 | 0 | 0 | 112.6 | A405 Q407 A412 A413 | A405-L409 PolarHBondContact O-N 3.32Å; Q407-L409 VanDerWaalsContact C-N 3.34Å; L409-A412 PolarHBondContact O-N 3.27Å; L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.88Å |
| 410 | L | 38.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 91.5 Ų | 91.5 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.6 | -39.3 | 176.7 | -170.7 | 62.5 | 0 | 0 | 0 | 112.2 | N406 Q407 A413 V414 | N406-L410 WeakPolarHBondContact O-CB 3.47Å; N406-L410 PolarHBondContact O-N 2.75Å; Q407-L410 PolarHBondContact O-N 2.82Å; L410-A413 PolarHBondContact O-N 3.31Å; L410-V414 WeakPolarHBondContact O-CB 3.09Å; L410-V414 VanDerWaalsContact O-CG2 3.3Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.36Å |
| 411 | A | 32.6 | Very low | 32.3 | Very low | 58 Ų | 58 | 95 Ų | 95 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -37.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q407 V414 A415 | Q407-A411 WeakPolarHBondContact O-CB 3.42Å; Q407-A411 PolarHBondContact O-N 3.11Å; A411-V414 PolarHBondContact O-N 2.97Å; A411-A415 WeakPolarHBondContact O-CB 3.34Å; A411-A415 PolarHBondContact O-N 3.4Å |
| 412 | A | 34 | Very low | 32.6 | Very low | 60 Ų | 60 | 94 Ų | 94 | 50% | 0.496 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -39.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A408 L409 S416 | A408-A412 WeakPolarHBondContact O-CB 3.37Å; A408-A412 PolarHBondContact O-N 3.03Å; L409-A412 PolarHBondContact O-N 3.27Å; A412-S416 PolarHBondContact O-N 2.81Å |
| 413 | A | 31.9 | Very low | 33.1 | Very low | 51 Ų | 51 | 95.2 Ų | 95.2 | 42% | 0.421 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.6 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L409 L410 S416 A417 | L409-A413 WeakPolarHBondContact O-CB 3.46Å; L409-A413 PolarHBondContact O-N 2.88Å; L410-A413 PolarHBondContact O-N 3.31Å; A413-S416 CarbonylContact O-C 3.6Å; A413-S416 PolarHBondContact O-N 2.93Å; A413-S416 PolarHBondContact O-OG 2.87Å; A413-A417 PolarHBondContact O-N 2.84Å |
| 414 | V | 34.9 | Very low | 33.2 | Very low | 93 Ų | 93 | 96.7 Ų | 96.7 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.5 | -37.1 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | L410 A411 S416 A417 S418 | L410-V414 WeakPolarHBondContact O-CB 3.09Å; L410-V414 VanDerWaalsContact O-CG2 3.3Å; L410-V414 WeakPolarHBondContact O-CG2 3.5Å; L410-V414 PolarHBondContact O-N 3.36Å; A411-V414 PolarHBondContact O-N 2.97Å; V414-S416 PolarHBondContact O-N 2.92Å; V414-A417 WeakPolarHBondContact O-CA 3.34Å; V414-A417 WeakPolarHBondContact O-CB 3.34Å; V414-A417 PolarHBondContact O-N 3.49Å; V414-S418 PolarHBondContact O-N 3.43Å; V414-S418 VanDerWaalsContact O-N 3.12Å |
| 415 | A | 34.4 | Very low | 33.6 | Very low | 62 Ų | 62 | 97.5 Ų | 97.5 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.2 | -26.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A411 A417 S418 | A411-A415 WeakPolarHBondContact O-CB 3.34Å; A411-A415 PolarHBondContact O-N 3.4Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A415-S418 PolarHBondContact O-OG 2.99Å |
| 416 | S | 29.8 | Very low | 33.8 | Very low | 103 Ų | 103 | 98 Ų | 98 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -4.7 | 168.9 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | A412 A413 V414 | A412-S416 PolarHBondContact O-N 2.81Å; A413-S416 CarbonylContact O-C 3.6Å; A413-S416 PolarHBondContact O-N 2.93Å; A413-S416 PolarHBondContact O-OG 2.87Å; V414-S416 PolarHBondContact O-N 2.92Å |
| 417 | A | 30.4 | Very low | 33.6 | Very low | 83 Ų | 83 | 95.3 Ų | 95.3 | 69% | 0.686 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -19.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A413 V414 A415 G419 | A413-A417 PolarHBondContact O-N 2.84Å; V414-A417 WeakPolarHBondContact O-CA 3.34Å; V414-A417 WeakPolarHBondContact O-CB 3.34Å; V414-A417 PolarHBondContact O-N 3.49Å; A415-A417 VanDerWaalsContact C-N 3.28Å; A417-G419 PolarHBondContact O-N 3.43Å |
| 418 | S | 27.5 | Very low | 33.5 | Very low | 68 Ų | 68 | 93.4 Ų | 93.4 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -73 | 107.9 | 169.2 | 50 | 0 | 0 | 0 | 0 | 110.8 | V414 A415 T420 | V414-S418 PolarHBondContact O-N 3.43Å; V414-S418 VanDerWaalsContact O-N 3.12Å; A415-S418 PolarHBondContact O-OG 2.99Å; S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.46Å |
| 419 | G | 30.7 | Very low | 33.5 | Very low | 87 Ų | 87 | 92.9 Ų | 92.9 | 90% | 0.897 | 61% | 0.605 | S | S | * | * | | | trans | -74.2 | 59 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | A417 | A417-G419 PolarHBondContact O-N 3.43Š|
| 420 | T | 31.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 90.2 Ų | 90.2 | 61% | 0.607 | 60% | 0.6 | S | S | * | * | | | trans | -115.4 | 139 | 172.8 | 54 | 0 | 0 | 0 | 0 | 111.5 | S418 V422 | S418-T420 VanDerWaalsContact C-N 3.27Å; S418-T420 PolarHBondContact O-N 3.46Å; T420-V422 PolarHBondContact O-N 3Å |
| 421 | P | 29.5 | Very low | 33.3 | Very low | 135 Ų | 135 | 87.9 Ų | 87.9 | 88% | 0.877 | 60% | 0.595 | S | S | * | * | | | trans | -80.7 | 109.2 | -175.9 | 30.8 | -33.3 | 0 | 0 | 0 | 111.2 | | |
| 422 | V | 33 | Very low | 33.6 | Very low | 127 Ų | 127 | 93.3 Ų | 93.3 | 77% | 0.77 | 61% | 0.608 | S | S | * | * | | | trans | -118.7 | 144.6 | 176.3 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | T420 | T420-V422 PolarHBondContact O-N 3Š|
| 423 | N | 37.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 95.7 Ų | 95.7 | 86% | 0.856 | 62% | 0.621 | S | S | * | * | | | trans | -65.1 | 136 | -162.3 | -161.8 | -5.1 | 0 | 0 | 0 | 113.9 | N425 | N423-N425 PolarHBondContact O-N 3.29Š|
| 424 | Y | 31.9 | Very low | 34.1 | Very low | 198 Ų | 198 | 99.3 Ų | 99.3 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | | | trans | -85.2 | 102.2 | -167.7 | -161.1 | -87.1 | 0 | 0 | 0 | 111.9 | P426 | Y424-P426 VanDerWaalsContact O-CD 3.27Å; Y424-P426 WeakPolarHBondContact O-CD 3.16Å |
| 425 | N | 41.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 98 Ų | 98 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | | | trans | -89.4 | 108.7 | -179.4 | -175.5 | -7 | 0 | 0 | 0 | 112.4 | N423 A427 A428 | N423-N425 PolarHBondContact O-N 3.29Å; N425-A427 VanDerWaalsContact C-N 3.26Å; N425-A427 PolarHBondContact O-N 3.19Å; N425-A427 WeakPolarHBondContact OD1-CB 3.48Å; N425-A427 PolarHBondContact OD1-N 2.83Å; N425-A428 PolarHBondContact O-N 2.61Å |
| 426 | P | 38.5 | Very low | 34.3 | Very low | 81 Ų | 81 | 99.2 Ų | 99.2 | 53% | 0.526 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.4 | -18.3 | -178.9 | 29.5 | -36 | 0 | 0 | 0 | 114.1 | Y424 A429 A430 | Y424-P426 VanDerWaalsContact O-CD 3.27Å; Y424-P426 WeakPolarHBondContact O-CD 3.16Å; P426-A429 PolarHBondContact O-N 2.93Å; P426-A430 PolarHBondContact O-N 3.27Å; P426-A430 VanDerWaalsContact O-N 3.16Å |
| 427 | A | 32.1 | Very low | 34.5 | Very low | 57 Ų | 57 | 97.6 Ų | 97.6 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.7 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N425 A430 A431 | N425-A427 VanDerWaalsContact C-N 3.26Å; N425-A427 PolarHBondContact O-N 3.19Å; N425-A427 WeakPolarHBondContact OD1-CB 3.48Å; N425-A427 PolarHBondContact OD1-N 2.83Å; A427-A430 PolarHBondContact O-N 3.46Å; A427-A431 PolarHBondContact O-N 3.02Å; A427-A431 VanDerWaalsContact O-N 3.09Å |
| 428 | A | 34.8 | Very low | 34.8 | Very low | 60 Ų | 60 | 96.9 Ų | 96.9 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N425 A431 F432 | N425-A428 PolarHBondContact O-N 2.61Å; A428-A431 PolarHBondContact O-N 3.49Å; A428-F432 PolarHBondContact O-N 2.77Å |
| 429 | A | 35.1 | Very low | 36 | Very low | 48 Ų | 48 | 98.5 Ų | 98.5 | 40% | 0.397 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.3 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | P426 A431 F432 C433 | P426-A429 PolarHBondContact O-N 2.93Å; A429-A431 PolarHBondContact O-N 3.44Å; A429-F432 PolarHBondContact O-N 3.36Å; A429-C433 PolarHBondContact O-N 3.3Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.35Å |
| 430 | A | 33.1 | Very low | 36.7 | Very low | 55 Ų | 55 | 99.4 Ų | 99.4 | 46% | 0.455 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.3 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P426 A427 C433 L434 | P426-A430 PolarHBondContact O-N 3.27Å; P426-A430 VanDerWaalsContact O-N 3.16Å; A427-A430 PolarHBondContact O-N 3.46Å; A430-C433 PolarHBondContact O-N 3.4Å; A430-L434 PolarHBondContact O-N 3.41Å |
| 431 | A | 35.7 | Very low | 37.4 | Very low | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.9 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A427 A428 A429 C433 L434 A435 | A427-A431 PolarHBondContact O-N 3.02Å; A427-A431 VanDerWaalsContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 3.49Å; A429-A431 PolarHBondContact O-N 3.44Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 3.1Å; A431-L434 PolarHBondContact O-N 3.49Å; A431-A435 PolarHBondContact O-N 3.38Å |
| 432 | F | 38 | Very low | 38 | Very low | 172 Ų | 172 | 94.5 Ų | 94.5 | 75% | 0.754 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61 | -33.6 | 177.9 | -127.9 | -85.7 | 0 | 0 | 0 | 113.2 | A428 A429 | A428-F432 PolarHBondContact O-N 2.77Å; A429-F432 PolarHBondContact O-N 3.36Å |
| 433 | C | 40.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 91.3 Ų | 91.3 | 75% | 0.75 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80.6 | -13.7 | 178.7 | -67.7 | 0 | 0 | 0 | 0 | 114.9 | A429 A430 A431 | A429-C433 PolarHBondContact O-N 3.3Å; A429-C433 VanDerWaalsContact O-N 3.13Å; A429-C433 PolarHBondContact O-SG 3.35Å; A430-C433 PolarHBondContact O-N 3.4Å; A431-C433 VanDerWaalsContact C-N 3.27Å; A431-C433 PolarHBondContact O-N 3.1Å |
| 434 | L | 36.9 | Very low | 39.3 | Very low | 127 Ų | 127 | 88.6 Ų | 88.6 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -106.5 | -7.8 | 173.4 | -90.3 | 81.4 | 0 | 0 | 0 | 114 | A430 A431 G436 A437 | A430-L434 PolarHBondContact O-N 3.41Å; A431-L434 PolarHBondContact O-N 3.49Å; L434-G436 PolarHBondContact O-N 3.4Å; L434-A437 PolarHBondContact O-N 3.13Å |
| 435 | A | 36.2 | Very low | 39.8 | Very low | 66 Ų | 66 | 84.6 Ų | 84.6 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -4.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116 | A431 A437 | A431-A435 PolarHBondContact O-N 3.38Å; A435-A437 PolarHBondContact O-N 3.37Å |
| 436 | G | 36.6 | Very low | 39.9 | Very low | 87 Ų | 87 | 82.6 Ų | 82.6 | 90% | 0.897 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -0.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L434 | L434-G436 PolarHBondContact O-N 3.4Š|
| 437 | A | 33.2 | Very low | 40.3 | Very low | 68 Ų | 68 | 82 Ų | 82 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -128.3 | 86.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L434 A435 | L434-A437 PolarHBondContact O-N 3.13Å; A435-A437 PolarHBondContact O-N 3.37Å |
| 438 | D | 38.4 | Very low | 40.6 | Very low | 69 Ų | 69 | 88.4 Ų | 88.4 | 37% | 0.369 | 57% | 0.565 | S | S | . | * | | | trans | 66.6 | 131.3 | 170.6 | 152.6 | -107.3 | 0 | 0 | 0 | 116.8 | N440 T441 | D438-N440 VanDerWaalsContact C-N 3.33Å; D438-N440 PolarHBondContact O-N 3.36Å; D438-N440 PolarHBondContact OD1-N 2.89Å; D438-N440 WeakPolarHBondContact OD2-CB 3.48Å; D438-N440 PolarHBondContact OD2-N 3.45Å; D438-N440 PolarHBondContact OD2-ND2 3.33Å; D438-T441 WeakPolarHBondContact OD1-CB 3.4Å; D438-T441 PolarHBondContact OD1-N 3.46Å; D438-T441 PolarHBondContact OD1-OG1 3.25Å |
| 439 | P | 51.5 | Low | 40.8 | Very low | 101 Ų | 101 | 88 Ų | 88 | 66% | 0.656 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.3 | -26.2 | -179.8 | 29.4 | -35.8 | 0 | 0 | 0 | 113.5 | A442 A443 | P439-A442 PolarHBondContact O-N 2.91Å; P439-A443 PolarHBondContact O-N 2.9Å; P439-A443 VanDerWaalsContact O-N 3.1Å |
| 440 | N | 45.1 | Very low | 40.9 | Very low | 107 Ų | 107 | 88.7 Ų | 88.7 | 57% | 0.572 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76.1 | -41.9 | -172.9 | -55.9 | -73.8 | 0 | 0 | 0 | 111.6 | D438 A442 A443 L444 | D438-N440 VanDerWaalsContact C-N 3.33Å; D438-N440 PolarHBondContact O-N 3.36Å; D438-N440 PolarHBondContact OD1-N 2.89Å; D438-N440 WeakPolarHBondContact OD2-CB 3.48Å; D438-N440 PolarHBondContact OD2-N 3.45Å; D438-N440 PolarHBondContact OD2-ND2 3.33Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 2.92Å; N440-A443 PolarHBondContact O-N 2.87Å; N440-L444 WeakPolarHBondContact O-CG 3.29Å; N440-L444 PolarHBondContact O-N 3.32Å |
| 441 | T | 47.6 | Very low | 41.1 | Very low | 81 Ų | 81 | 90.2 Ų | 90.2 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.8 | -37.4 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | D438 L444 L445 | D438-T441 WeakPolarHBondContact OD1-CB 3.4Å; D438-T441 PolarHBondContact OD1-N 3.46Å; D438-T441 PolarHBondContact OD1-OG1 3.25Å; T441-L444 PolarHBondContact O-N 2.95Å; T441-L445 WeakPolarHBondContact O-CB 3.35Å; T441-L445 PolarHBondContact O-N 3.22Å |
| 442 | A | 41.4 | Very low | 41.3 | Very low | 50 Ų | 50 | 91 Ų | 91 | 41% | 0.413 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.5 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P439 N440 L445 A446 | P439-A442 PolarHBondContact O-N 2.91Å; N440-A442 VanDerWaalsContact C-N 3.3Å; N440-A442 PolarHBondContact O-N 2.92Å; A442-L445 PolarHBondContact O-N 2.78Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.48Å; A442-A446 PolarHBondContact O-N 3.27Å |
| 443 | A | 46.2 | Very low | 41.2 | Very low | 60 Ų | 60 | 90.3 Ų | 90.3 | 50% | 0.496 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | P439 N440 A446 S447 | P439-A443 PolarHBondContact O-N 2.9Å; P439-A443 VanDerWaalsContact O-N 3.1Å; N440-A443 PolarHBondContact O-N 2.87Å; A443-A446 PolarHBondContact O-N 3.37Å; A443-S447 WeakPolarHBondContact O-CB 3.38Å; A443-S447 PolarHBondContact O-N 2.88Å; A443-S447 PolarHBondContact O-OG 2.89Å |
| 444 | L | 50.2 | Low | 40.8 | Very low | 102 Ų | 102 | 88.5 Ų | 88.5 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 174.2 | -76.8 | 167.4 | 0 | 0 | 0 | 111.9 | N440 T441 S447 Y448 | N440-L444 WeakPolarHBondContact O-CG 3.29Å; N440-L444 PolarHBondContact O-N 3.32Å; T441-L444 PolarHBondContact O-N 2.95Å; L444-S447 WeakPolarHBondContact CA-OG 3.27Å; L444-S447 PolarHBondContact O-OG 3Å; L444-S447 VanDerWaalsContact O-OG 3.08Å; L444-Y448 WeakPolarHBondContact O-CB 3.43Å; L444-Y448 PolarHBondContact O-N 3.08Å |
| 445 | L | 44.3 | Very low | 40.5 | Very low | 115 Ų | 115 | 85.9 Ų | 85.9 | 60% | 0.602 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.2 | -37.1 | 178.4 | -145.4 | 75.3 | 0 | 0 | 0 | 111.9 | T441 A442 A449 | T441-L445 WeakPolarHBondContact O-CB 3.35Å; T441-L445 PolarHBondContact O-N 3.22Å; A442-L445 PolarHBondContact O-N 2.78Å; L445-A449 VanDerWaalsContact O-CB 3.27Å; L445-A449 WeakPolarHBondContact O-CB 3.41Å; L445-A449 PolarHBondContact O-N 2.96Å |
| 446 | A | 42.8 | Very low | 40.2 | Very low | 60 Ų | 60 | 90.8 Ų | 90.8 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A442 A443 A449 A450 | A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.48Å; A442-A446 PolarHBondContact O-N 3.27Å; A443-A446 PolarHBondContact O-N 3.37Å; A446-A449 PolarHBondContact O-N 3.47Å; A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 3.07Å |
| 447 | S | 46.1 | Very low | 39.8 | Very low | 68 Ų | 68 | 90.2 Ų | 90.2 | 48% | 0.476 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -37.6 | 176.6 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | A443 L444 A450 A451 | A443-S447 WeakPolarHBondContact O-CB 3.38Å; A443-S447 PolarHBondContact O-N 2.88Å; A443-S447 PolarHBondContact O-OG 2.89Å; L444-S447 WeakPolarHBondContact CA-OG 3.27Å; L444-S447 PolarHBondContact O-OG 3Å; L444-S447 VanDerWaalsContact O-OG 3.08Å; S447-A450 PolarHBondContact O-N 3.41Å; S447-A451 WeakPolarHBondContact O-CB 3.2Å; S447-A451 PolarHBondContact O-N 2.86Å |
| 448 | Y | 39.5 | Very low | 39.9 | Very low | 192 Ų | 192 | 92.4 Ų | 92.4 | 75% | 0.753 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.6 | -37.1 | 172.6 | -149.4 | -90.6 | 0 | 0 | 0 | 112.3 | L444 A451 A452 | L444-Y448 WeakPolarHBondContact O-CB 3.43Å; L444-Y448 PolarHBondContact O-N 3.08Å; Y448-A451 PolarHBondContact O-N 3.43Å; Y448-A452 PolarHBondContact O-N 3.44Å |
| 449 | A | 37.9 | Very low | 39.7 | Very low | 51 Ų | 51 | 94.9 Ų | 94.9 | 42% | 0.421 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.3 | -36.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L445 A446 A452 | L445-A449 VanDerWaalsContact O-CB 3.27Å; L445-A449 WeakPolarHBondContact O-CB 3.41Å; L445-A449 PolarHBondContact O-N 2.96Å; A446-A449 PolarHBondContact O-N 3.47Å; A449-A452 PolarHBondContact O-N 3.48Å |
| 450 | A | 38.2 | Very low | 38.7 | Very low | 64 Ų | 64 | 95.8 Ų | 95.8 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.2 | -43.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A446 S447 A452 F453 G454 | A446-A450 WeakPolarHBondContact O-CB 3.45Å; A446-A450 PolarHBondContact O-N 3.07Å; S447-A450 PolarHBondContact O-N 3.41Å; A450-A452 PolarHBondContact O-N 3.35Å; A450-F453 PolarHBondContact O-N 3.17Å; A450-F453 VanDerWaalsContact O-N 3.14Å; A450-G454 PolarHBondContact O-N 3.17Å |
| 451 | A | 37.3 | Very low | 38.3 | Very low | 87 Ų | 87 | 96.6 Ų | 96.6 | 72% | 0.719 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -60.5 | -30.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S447 Y448 F453 | S447-A451 WeakPolarHBondContact O-CB 3.2Å; S447-A451 PolarHBondContact O-N 2.86Å; Y448-A451 PolarHBondContact O-N 3.43Å; A451-F453 VanDerWaalsContact C-N 3.32Å; A451-F453 PolarHBondContact O-N 3.34Å |
| 452 | A | 38.7 | Very low | 37.6 | Very low | 72 Ų | 72 | 95.9 Ų | 95.9 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -10.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y448 A449 A450 | Y448-A452 PolarHBondContact O-N 3.44Å; A449-A452 PolarHBondContact O-N 3.48Å; A450-A452 PolarHBondContact O-N 3.35Å |
| 453 | F | 36.6 | Very low | 37 | Very low | 158 Ų | 158 | 99 Ų | 99 | 69% | 0.693 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | -9.6 | -176.3 | -83.3 | -86.1 | 0 | 0 | 0 | 115.6 | A450 A451 G455 | A450-F453 PolarHBondContact O-N 3.17Å; A450-F453 VanDerWaalsContact O-N 3.14Å; A451-F453 VanDerWaalsContact C-N 3.32Å; A451-F453 PolarHBondContact O-N 3.34Å; F453-G455 PolarHBondContact O-N 2.79Å |
| 454 | G | 32.3 | Very low | 36.3 | Very low | 74 Ų | 74 | 104.7 Ų | 104.7 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | | | trans | -69.9 | 23.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | A450 | A450-G454 PolarHBondContact O-N 3.17Š|
| 455 | G | 30 | Very low | 35.5 | Very low | 72 Ų | 72 | 103.6 Ų | 103.6 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | | | trans | -101.8 | 14.8 | -167 | 0 | 0 | 0 | 0 | 0 | 116.8 | F453 | F453-G455 PolarHBondContact O-N 2.79Š|
| 456 | I | 29.8 | Very low | 34.8 | Very low | 169 Ų | 169 | 104.3 Ų | 104.3 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | | | trans | -147.1 | 103.5 | 179.8 | 26.7 | 173.3 | 0 | 0 | 0 | 110.3 | | |
| 457 | G | 28.6 | Very low | 34.5 | Very low | 75 Ų | 75 | 108.6 Ų | 108.6 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -179.9 | 42.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | P459 | G457-P459 WeakPolarHBondContact O-CD 3.4Š|
| 458 | S | 35.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -71 | 122.5 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | S460 | S458-S460 PolarHBondContact O-N 3.07Š|
| 459 | P | 34.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 107 Ų | 107 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -81.3 | 109.6 | 173.6 | 31.3 | -31.6 | 0 | 0 | 0 | 110.5 | G457 P461 | G457-P459 WeakPolarHBondContact O-CD 3.4Å; P459-P461 WeakPolarHBondContact O-CD 3.35Å |
| 460 | S | 30.1 | Very low | 33.5 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | -76.1 | 125.7 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | S458 | S458-S460 PolarHBondContact O-N 3.07Š|
| 461 | P | 37.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | | | trans | -100 | 137.1 | 166.2 | 27.2 | -13 | 0 | 0 | 0 | 112.1 | P459 | P459-P461 WeakPolarHBondContact O-CD 3.35Š|
| 462 | G | 32.8 | Very low | 33.3 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | 90 | 120.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 463 | C | 30 | Very low | 33.1 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 36.7 | 113.2 | 138.2 | 45.6 | 0 | 0 | 0 | 0 | 122.4 | | |
| 464 | L | 31.4 | Very low | 33.1 | Very low | 180 Ų | 180 | 115.1 Ų | 115.1 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | | | | 56.7 | 130.8 | 118.6 | -63.7 | 160.2 | 0 | 0 | 0 | 120.4 | | |
| 465 | G | 31.5 | Very low | 33.3 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | 147.5 | 67.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N467 | G465-N467 PolarHBondContact O-N 3.39Š|
| 466 | T | 30.1 | Very low | 33.8 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -58.9 | 128.1 | 171.5 | -33.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 467 | N | 36.1 | Very low | 33.9 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | -173.3 | 152.4 | 134.3 | -99.9 | -44.7 | 0 | 0 | 0 | 115.1 | G465 | G465-N467 PolarHBondContact O-N 3.39Š|
| 468 | N | 34.2 | Very low | 33.9 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -69.6 | 158.3 | -170.3 | -48.1 | -59.2 | 0 | 0 | 0 | 115.7 | | |
| 469 | G | 34.4 | Very low | 33.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 125.9 | 112.4 | 145.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 470 | P | 35.7 | Very low | 33.8 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -104.2 | 136.1 | 172.1 | 35.9 | -28.8 | 0 | 0 | 0 | 113.5 | | |
| 471 | V | 38 | Very low | 33.9 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | | | trans | -157.5 | 156.5 | 161.6 | -106.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 472 | S | 33.1 | Very low | 33.6 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -63.9 | 158.4 | -176.2 | -44.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 473 | G | 33.6 | Very low | 33.5 | Very low | 74 Ų | 74 | 128.9 Ų | 128.9 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | -176.7 | 41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 474 | T | 37.2 | Very low | 33.8 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | 9.4 | 109.9 | 156.5 | 52.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 475 | T | 35.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 124 Ų | 124 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | | 55.3 | 178.2 | 126.8 | 61.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 476 | P | 40.2 | Very low | 33.9 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -126.8 | 172 | -17 | 35.7 | -19.3 | 0 | 0 | 0 | 114.8 | | |
| 477 | S | 32 | Very low | 34 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -178.1 | 98.8 | 138 | -85.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 478 | T | 29.8 | Very low | 33.7 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | | | trans | -158 | 122.5 | 158.5 | -43.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 479 | A | 34.1 | Very low | 33.5 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | -169.1 | 152.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 480 | I | 31.6 | Very low | 33.5 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | cis | -145.6 | 175.3 | -7.3 | -13.2 | 162.6 | 0 | 0 | 0 | 108.8 | | |
| 481 | Q | 34.2 | Very low | 33.5 | Very low | 156 Ų | 156 | 124 Ų | 124 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | | | trans | 121.3 | 146.9 | 146.9 | -60.7 | -61.6 | -11.4 | 0 | 0 | 114 | | |
| 482 | N | 29.6 | Very low | 33.1 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 65% | 0.652 | 79% | 0.792 | S | S | * | * | | | | -169.5 | 172.6 | -66.3 | -179.4 | 32.3 | 0 | 0 | 0 | 107.2 | | |
| 483 | F | 32 | Very low | 33.1 | Very low | 193 Ų | 193 | 124.1 Ų | 124.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 72.7 | 133.3 | -174.1 | -58.9 | -90.3 | 0 | 0 | 0 | 114.7 | | |
| 484 | G | 35.3 | Very low | 33 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | cis | -168.6 | 138.9 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 485 | S | 28.4 | Very low | 32.7 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -89.9 | 177.5 | -175.6 | -49.9 | 0 | 0 | 0 | 0 | 112 | | |
| 486 | P | 37.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | | | cis | -141.9 | 166.1 | 11.3 | 42.9 | -23.8 | 0 | 0 | 0 | 119.6 | | |
| 487 | S | 30.5 | Very low | 31.9 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -8.1 | 137 | 147.3 | -176.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 488 | Q | 30.1 | Very low | 31.8 | Very low | 195 Ų | 195 | 126.5 Ų | 126.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | | | trans | -131.6 | 147.9 | 135.5 | -74.9 | -161.5 | 11.1 | 0 | 0 | 111 | | |
| 489 | A | 31 | Very low | 31.8 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | -90.6 | 159.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G491 | A489-G491 PolarHBondContact O-N 3.15Š|
| 490 | P | 34.5 | Very low | 31.8 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | -68.4 | 105.8 | 178 | 27.5 | -34.3 | 0 | 0 | 0 | 111.6 | | |
| 491 | G | 34.2 | Very low | 32.1 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -81.3 | 147.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A489 | A489-G491 PolarHBondContact O-N 3.15Š|
| 492 | L | 30.8 | Very low | 32 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -89.7 | 172.6 | 178.2 | -70.3 | 164.1 | 0 | 0 | 0 | 112.3 | | |
| 493 | T | 32.4 | Very low | 32.5 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | 64 | 114 | 160.8 | 48.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 494 | N | 32.9 | Very low | 32.8 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | 170.7 | 91.4 | 140.5 | -87.6 | -22.8 | 0 | 0 | 0 | 106.5 | | |
| 495 | S | 30.6 | Very low | 32.7 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 69.3 | 91.2 | 52.3 | -56.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 496 | L | 29.4 | Very low | 33.1 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | | | trans | 77.4 | 153.3 | 142.6 | -151.3 | 69 | 0 | 0 | 0 | 119.4 | | |
| 497 | A | 29.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | 76.4 | 145.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 498 | A | 29.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | | | cis | -167.4 | 156.4 | -24.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 499 | M | 30.9 | Very low | 33.4 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | 67.8 | 147.2 | 167.6 | -38.6 | -165.6 | -175.6 | 0 | 0 | 114.6 | | |
| 500 | A | 33.5 | Very low | 33.5 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | cis | -139.5 | -165 | -0.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 501 | M | 37 | Very low | 33.7 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | cis | -154 | -161.8 | 6.6 | -138.3 | -33.5 | 169.2 | 0 | 0 | 110.1 | | |
| 502 | F | 33.9 | Very low | 33.9 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | -134.7 | -176.1 | 173.6 | -114.6 | -117.7 | 0 | 0 | 0 | 108.9 | T505 | F502-T505 HydrophobicContact CE1-CG2 4.27Š|
| 503 | P | 39.8 | Very low | 34.2 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | cis | -114.6 | -161.4 | -6.9 | 33.1 | -11.6 | 0 | 0 | 0 | 111.1 | | |
| 504 | Q | 38.6 | Very low | 34.5 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | cis | -134.8 | 165.5 | 7.8 | -73.3 | -176.1 | -8.7 | 0 | 0 | 109.4 | | |
| 505 | T | 32.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 131 Ų | 131 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | cis | 83.2 | 85.8 | 16.2 | 75 | 0 | 0 | 0 | 0 | 117.8 | F502 | F502-T505 HydrophobicContact CE1-CG2 4.27Š|
| 506 | G | 36.5 | Very low | 35.4 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -166 | 50.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 507 | T | 33.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | | | trans | -99.4 | 120.6 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 508 | L | 35.1 | Very low | 36.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | | | trans | -146.9 | 138.1 | 158.1 | -93.4 | -173.8 | 0 | 0 | 0 | 115.2 | | |
| 509 | L | 35.4 | Very low | 36.4 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | -38.9 | 148.6 | 175.5 | -62.7 | 156.4 | 0 | 0 | 0 | 118.6 | | |
| 510 | G | 34.1 | Very low | 36.5 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | 172.1 | 98.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 511 | P | 38.7 | Very low | 36.8 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | -98.4 | 175.4 | -179.8 | 37.3 | -33.9 | 0 | 0 | 0 | 114.6 | | |
| 512 | N | 38.9 | Very low | 36.9 | Very low | 167 Ų | 167 | 138.3 Ų | 138.3 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | 88.7 | 131.1 | 176.1 | -50.2 | -69.2 | 0 | 0 | 0 | 116.3 | | |
| 513 | G | 36.2 | Very low | 37.6 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 142.3 | 79.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 514 | H | 38.7 | Very low | 38.1 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | -76.5 | 127.1 | 168.6 | -88.9 | -143.6 | 0 | 0 | 0 | 111.1 | | |
| 515 | T | 41.9 | Very low | 38.8 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | | | trans | -165.7 | 143.8 | 139.2 | 17.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 516 | P | 39.9 | Very low | 39.7 | Very low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | | | trans | -85.6 | 127 | -179.7 | 33.1 | -32 | 0 | 0 | 0 | 111.6 | | |
| 517 | L | 34.9 | Very low | 40.4 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -116.6 | 115.3 | 175.3 | -146.3 | 174.4 | 0 | 0 | 0 | 110.1 | Q519 | L517-Q519 VanDerWaalsContact C-N 3.29Å; L517-Q519 PolarHBondContact O-N 3.1Å |
| 518 | V | 38.9 | Very low | 42 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 76% | 0.758 | 74% | 0.74 | S | S | * | * | | | trans | -75.5 | 83 | 172.4 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | W520 | V518-W520 PolarHBondContact O-N 2.9Š|
| 519 | Q | 36.4 | Very low | 43.9 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | trans | -80.6 | 110.4 | 176 | -171.2 | 164.5 | -10.3 | 0 | 0 | 110 | L517 F521 | L517-Q519 VanDerWaalsContact C-N 3.29Å; L517-Q519 PolarHBondContact O-N 3.1Å; Q519-F521 PolarHBondContact O-N 3.16Å |
| 520 | W | 32.4 | Very low | 45.7 | Very low | 234 Ų | 234 | 122.1 Ų | 122.1 | 89% | 0.886 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 128.9 | 172.3 | -73.5 | 46.8 | 0 | 0 | 0 | 108.9 | V518 | V518-W520 PolarHBondContact O-N 2.9Š|
| 521 | F | 38.7 | Very low | 48 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 77% | 0.772 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -86 | 134.5 | -179.8 | -110.6 | -89.6 | 0 | 0 | 0 | 112.3 | Q519 | Q519-F521 PolarHBondContact O-N 3.16Š|
| 522 | D | 39.8 | Very low | 50.1 | Low | 92 Ų | 92 | 124.5 Ų | 124.5 | 49% | 0.492 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 129.4 | -174 | -168.5 | -48.5 | 0 | 0 | 0 | 111.5 | S524 S525 | D522-S524 PolarHBondContact O-N 3.48Å; D522-S524 VanDerWaalsContact O-N 3.08Å; D522-S524 WeakPolarHBondContact OD1-CB 3.36Å; D522-S524 PolarHBondContact OD1-N 3.25Å; D522-S524 PolarHBondContact OD1-OG 3.25Å; D522-S525 PolarHBondContact O-N 3.42Å; D522-S525 PolarHBondContact O-OG 3.43Å |
| 523 | P | 48.9 | Very low | 52.3 | Low | 117 Ų | 117 | 121.1 Ų | 121.1 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -60.2 | -19.7 | 178.8 | 26.8 | -35.8 | 0 | 0 | 0 | 113.6 | S525 | P523-S525 VanDerWaalsContact C-N 3.34Å; P523-S525 PolarHBondContact O-N 2.88Å |
| 524 | S | 51.3 | Low | 54.7 | Low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -71.7 | -25.5 | -177.2 | -43.9 | 0 | 0 | 0 | 0 | 113.5 | D522 | D522-S524 PolarHBondContact O-N 3.48Å; D522-S524 VanDerWaalsContact O-N 3.08Å; D522-S524 WeakPolarHBondContact OD1-CB 3.36Å; D522-S524 PolarHBondContact OD1-N 3.25Å; D522-S524 PolarHBondContact OD1-OG 3.25Å |
| 525 | S | 52.4 | Low | 57.2 | Low | 72 Ų | 72 | 118.8 Ų | 118.8 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -80.2 | -13.2 | -174.4 | 58.3 | 0 | 0 | 0 | 0 | 114.6 | D522 P523 | D522-S525 PolarHBondContact O-N 3.42Å; D522-S525 PolarHBondContact O-OG 3.43Å; P523-S525 VanDerWaalsContact C-N 3.34Å; P523-S525 PolarHBondContact O-N 2.88Å |
| 526 | N | 52.1 | Low | 59.5 | Low | 90 Ų | 90 | 119.5 Ų | 119.5 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -81.2 | -16.6 | -170.7 | -159.1 | 29.2 | 0 | 0 | 0 | 114.6 | G528 V529 E530 | N526-G528 PolarHBondContact O-N 3.24Å; N526-G528 VanDerWaalsContact O-N 3.14Å; N526-V529 PolarHBondContact O-N 3.44Å; N526-E530 PolarHBondContact O-N 3.43Å |
| 527 | M | 50.7 | Low | 61.8 | Low | 147 Ų | 147 | 116.8 Ų | 116.8 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.9 | -35.5 | -177.5 | -78.5 | -78 | -74.6 | 0 | 0 | 113.9 | L531 | M527-L531 WeakPolarHBondContact O-CB 3.37Å; M527-L531 PolarHBondContact O-N 3.3Å; M527-L531 VanDerWaalsContact O-N 3.13Å |
| 528 | G | 66.8 | Low | 64.6 | Low | 54 Ų | 54 | 116.2 Ų | 116.2 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.9 | -38.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | N526 E532 | N526-G528 PolarHBondContact O-N 3.24Å; N526-G528 VanDerWaalsContact O-N 3.14Å; G528-E532 WeakPolarHBondContact O-CB 3.47Å; G528-E532 PolarHBondContact O-N 3.25Å |
| 529 | V | 73.9 | Confident | 67.2 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 58% | 0.582 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.2 | -38 | 179.5 | -173 | 0 | 0 | 0 | 0 | 110.6 | N526 E532 L533 | N526-V529 PolarHBondContact O-N 3.44Å; V529-E532 PolarHBondContact O-N 3.21Å; V529-L533 VanDerWaalsContact O-CB 3.26Å; V529-L533 WeakPolarHBondContact O-CB 3.44Å; V529-L533 PolarHBondContact O-N 2.9Å |
| 530 | E | 75 | Confident | 69.9 | Low | 89 Ų | 89 | 113.9 Ų | 113.9 | 42% | 0.416 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.9 | -45.3 | 173.2 | -172.3 | 69.7 | -165.2 | 0 | 0 | 111.2 | N526 L533 Q534 | N526-E530 PolarHBondContact O-N 3.43Å; E530-L533 PolarHBondContact O-N 3.39Å; E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.2Å; E530-Q534 PolarHBondContact OE1-NE2 3.48Å |
| 531 | L | 80.8 | Confident | 72.7 | Confident | 121 Ų | 121 | 108.8 Ų | 108.8 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.4 | -42.2 | 178.7 | -151.7 | 88.6 | 0 | 0 | 0 | 112.6 | M527 Q534 H535 | M527-L531 WeakPolarHBondContact O-CB 3.37Å; M527-L531 PolarHBondContact O-N 3.3Å; M527-L531 VanDerWaalsContact O-N 3.13Å; L531-Q534 PolarHBondContact O-N 3.06Å; L531-H535 WeakPolarHBondContact O-CB 3.36Å; L531-H535 PolarHBondContact O-N 3.4Å |
| 532 | E | 83.5 | Confident | 75.3 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -44.4 | 173.8 | 178.9 | 70.2 | -172.4 | 0 | 0 | 110.8 | G528 V529 H535 R536 | G528-E532 WeakPolarHBondContact O-CB 3.47Å; G528-E532 PolarHBondContact O-N 3.25Å; V529-E532 PolarHBondContact O-N 3.21Å; E532-H535 PolarHBondContact O-N 3.03Å; E532-R536 WeakPolarHBondContact O-CB 3.47Å; E532-R536 WeakPolarHBondContact O-CG 3.38Å; E532-R536 PolarHBondContact O-N 3.37Å |
| 533 | L | 85.5 | Confident | 77.7 | Confident | 96 Ų | 96 | 108.9 Ų | 108.9 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.1 | -45.8 | 176.1 | -172.2 | 80.1 | 0 | 0 | 0 | 111.5 | V529 E530 R536 I537 | V529-L533 VanDerWaalsContact O-CB 3.26Å; V529-L533 WeakPolarHBondContact O-CB 3.44Å; V529-L533 PolarHBondContact O-N 2.9Å; E530-L533 PolarHBondContact O-N 3.39Å; L533-R536 PolarHBondContact O-N 2.95Å; L533-I537 HydrophobicContact CD2-CD1 4.33Å; L533-I537 HydrophobicContact CG-CD1 3.97Å; L533-I537 VanDerWaalsContact O-CG1 3.29Å; L533-I537 WeakPolarHBondContact O-CG1 3.18Å; L533-I537 PolarHBondContact O-N 3.49Å |
| 534 | Q | 85.2 | Confident | 79.5 | Confident | 101 Ų | 101 | 107.4 Ų | 107.4 | 47% | 0.472 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 177.7 | -72 | 169.8 | 13.4 | 0 | 0 | 111.4 | E530 L531 I537 Q538 | E530-Q534 WeakPolarHBondContact O-CB 3.44Å; E530-Q534 WeakPolarHBondContact O-CG 3.39Å; E530-Q534 PolarHBondContact O-N 3.2Å; E530-Q534 PolarHBondContact OE1-NE2 3.48Å; L531-Q534 PolarHBondContact O-N 3.06Å; Q534-I537 PolarHBondContact O-N 2.99Å; Q534-Q538 WeakPolarHBondContact O-CB 3.46Å; Q534-Q538 PolarHBondContact O-N 2.91Å |
| 535 | H | 91.7 | Very high | 81.3 | Confident | 120 Ų | 120 | 109.6 Ų | 109.6 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 175 | -163.4 | 91.5 | 0 | 0 | 0 | 111.8 | L531 E532 Q538 Q539 | L531-H535 WeakPolarHBondContact O-CB 3.36Å; L531-H535 PolarHBondContact O-N 3.4Å; E532-H535 PolarHBondContact O-N 3.03Å; H535-Q538 PolarHBondContact O-N 2.94Å; H535-Q539 WeakPolarHBondContact O-CB 3.2Å; H535-Q539 PolarHBondContact O-N 3.13Å |
| 536 | R | 89.9 | Confident | 82.9 | Confident | 150 Ų | 150 | 108.8 Ų | 108.8 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 176.7 | -71.5 | -71.4 | -65.5 | -104.2 | -2 | 112.9 | E532 L533 Q540 | E532-R536 WeakPolarHBondContact O-CB 3.47Å; E532-R536 WeakPolarHBondContact O-CG 3.38Å; E532-R536 PolarHBondContact O-N 3.37Å; L533-R536 PolarHBondContact O-N 2.95Å; R536-Q540 WeakPolarHBondContact O-CB 3.49Å; R536-Q540 PolarHBondContact O-N 3.18Å |
| 537 | I | 90 | Very high | 84.5 | Confident | 74 Ų | 74 | 109.7 Ų | 109.7 | 38% | 0.379 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.7 | -42.8 | 174.4 | -70.3 | 165.9 | 0 | 0 | 0 | 110.5 | L533 Q534 Q540 Q541 | L533-I537 HydrophobicContact CD2-CD1 4.33Å; L533-I537 HydrophobicContact CG-CD1 3.97Å; L533-I537 VanDerWaalsContact O-CG1 3.29Å; L533-I537 WeakPolarHBondContact O-CG1 3.18Å; L533-I537 PolarHBondContact O-N 3.49Å; Q534-I537 PolarHBondContact O-N 2.99Å; I537-Q540 PolarHBondContact O-N 2.92Å; I537-Q541 WeakPolarHBondContact O-CG 3.49Å; I537-Q541 PolarHBondContact O-N 3.36Å |
| 538 | Q | 92.7 | Very high | 86.2 | Confident | 135 Ų | 135 | 108.8 Ų | 108.8 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 177.9 | -166.8 | 172.3 | 36.3 | 0 | 0 | 111.7 | Q534 H535 Q540 Q541 Q542 | Q534-Q538 WeakPolarHBondContact O-CB 3.46Å; Q534-Q538 PolarHBondContact O-N 2.91Å; H535-Q538 PolarHBondContact O-N 2.94Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.06Å; Q538-Q541 PolarHBondContact O-N 3.31Å; Q538-Q542 WeakPolarHBondContact O-CB 3.29Å; Q538-Q542 PolarHBondContact O-N 3.19Å |
| 539 | Q | 93.2 | Very high | 86.9 | Confident | 105 Ų | 105 | 115.9 Ų | 115.9 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.3 | -43.1 | 172.9 | -171.8 | -177.7 | 41.8 | 0 | 0 | 111.8 | H535 Q542 Q543 | H535-Q539 WeakPolarHBondContact O-CB 3.2Å; H535-Q539 PolarHBondContact O-N 3.13Å; Q539-Q542 PolarHBondContact O-N 3.25Å; Q539-Q543 PolarHBondContact O-N 3Å |
| 540 | Q | 93.1 | Very high | 87.1 | Confident | 117 Ų | 117 | 114.1 Ų | 114.1 | 55% | 0.547 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.1 | -43.6 | 177.5 | -170.4 | -179 | 24.2 | 0 | 0 | 112.2 | R536 I537 Q538 Q542 Q543 I544 | R536-Q540 WeakPolarHBondContact O-CB 3.49Å; R536-Q540 PolarHBondContact O-N 3.18Å; I537-Q540 PolarHBondContact O-N 2.92Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.06Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q540-Q542 PolarHBondContact O-N 3.36Å; Q540-Q543 PolarHBondContact O-N 3.14Å; Q540-I544 HydrophobicContact CG-CD1 4.15Å; Q540-I544 WeakPolarHBondContact O-CG1 3.27Å; Q540-I544 PolarHBondContact O-N 3.46Å |
| 541 | Q | 92.5 | Very high | 87 | Confident | 127 Ų | 127 | 115.7 Ų | 115.7 | 59% | 0.593 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -43.2 | 175.2 | -71.5 | -176.2 | 23 | 0 | 0 | 111.6 | I537 Q538 Q543 I544 Q545 | I537-Q541 WeakPolarHBondContact O-CG 3.49Å; I537-Q541 PolarHBondContact O-N 3.36Å; Q538-Q541 PolarHBondContact O-N 3.31Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 3.16Å; Q541-I544 PolarHBondContact O-N 3.15Å; Q541-Q545 WeakPolarHBondContact O-CB 3.32Å; Q541-Q545 PolarHBondContact O-N 2.96Å |
| 542 | Q | 92.2 | Very high | 86.4 | Confident | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -37.8 | 178.3 | -162 | 174.8 | 50.2 | 0 | 0 | 111.9 | Q538 Q539 Q540 Q545 A546 | Q538-Q542 WeakPolarHBondContact O-CB 3.29Å; Q538-Q542 PolarHBondContact O-N 3.19Å; Q539-Q542 PolarHBondContact O-N 3.25Å; Q540-Q542 VanDerWaalsContact C-N 3.34Å; Q540-Q542 PolarHBondContact O-N 3.36Å; Q542-Q545 PolarHBondContact O-N 2.75Å; Q542-A546 WeakPolarHBondContact O-CB 3.45Å; Q542-A546 PolarHBondContact O-N 3.01Å |
| 543 | Q | 91.1 | Very high | 85.6 | Confident | 129 Ų | 129 | 110.2 Ų | 110.2 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.3 | -38.4 | 174.7 | -167.4 | 176.2 | 16.7 | 0 | 0 | 112.8 | Q539 Q540 Q541 A546 N547 | Q539-Q543 PolarHBondContact O-N 3Å; Q540-Q543 PolarHBondContact O-N 3.14Å; Q541-Q543 VanDerWaalsContact C-N 3.33Å; Q541-Q543 PolarHBondContact O-N 3.16Å; Q543-A546 PolarHBondContact O-N 2.8Å; Q543-N547 PolarHBondContact O-N 3.37Å |
| 544 | I | 85.7 | Confident | 84.4 | Confident | 86 Ų | 86 | 108.4 Ų | 108.4 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -44.9 | 173.6 | -69.5 | 165.9 | 0 | 0 | 0 | 110.3 | Q540 Q541 A546 N547 Q548 | Q540-I544 HydrophobicContact CG-CD1 4.15Å; Q540-I544 WeakPolarHBondContact O-CG1 3.27Å; Q540-I544 PolarHBondContact O-N 3.46Å; Q541-I544 PolarHBondContact O-N 3.15Å; I544-A546 PolarHBondContact O-N 3.45Å; I544-N547 PolarHBondContact O-N 2.98Å; I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.05Å |
| 545 | Q | 89.4 | Confident | 83.1 | Confident | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.8 | -37.1 | 177.6 | -163.9 | 179.7 | 32.1 | 0 | 0 | 112 | Q541 Q542 Q548 R549 | Q541-Q545 WeakPolarHBondContact O-CB 3.32Å; Q541-Q545 PolarHBondContact O-N 2.96Å; Q542-Q545 PolarHBondContact O-N 2.75Å; Q545-Q548 PolarHBondContact O-N 3Å; Q545-R549 WeakPolarHBondContact O-CB 3.41Å; Q545-R549 PolarHBondContact O-N 3.39Å |
| 546 | A | 85.7 | Confident | 81.2 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -44.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q542 Q543 I544 R549 A550 | Q542-A546 WeakPolarHBondContact O-CB 3.45Å; Q542-A546 PolarHBondContact O-N 3.01Å; Q543-A546 PolarHBondContact O-N 2.8Å; I544-A546 PolarHBondContact O-N 3.45Å; A546-R549 PolarHBondContact O-N 3.41Å; A546-A550 WeakPolarHBondContact O-CB 3.35Å; A546-A550 PolarHBondContact O-N 3.46Å |
| 547 | N | 86 | Confident | 79.3 | Confident | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 174.9 | -83.2 | -16.8 | 0 | 0 | 0 | 112.4 | Q543 I544 A550 L551 | Q543-N547 PolarHBondContact O-N 3.37Å; I544-N547 PolarHBondContact O-N 2.98Å; N547-A550 PolarHBondContact O-N 3Å; N547-L551 WeakPolarHBondContact O-CB 3.34Å; N547-L551 PolarHBondContact O-N 3.28Å |
| 548 | Q | 85.9 | Confident | 76.7 | Confident | 129 Ų | 129 | 102.6 Ų | 102.6 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -40.4 | 173.8 | -72.8 | 179.9 | 5.2 | 0 | 0 | 111.8 | I544 Q545 L551 A552 | I544-Q548 WeakPolarHBondContact O-CG 3.36Å; I544-Q548 PolarHBondContact O-N 3.05Å; Q545-Q548 PolarHBondContact O-N 3Å; Q548-L551 PolarHBondContact O-N 2.96Å; Q548-A552 VanDerWaalsContact O-CB 3.29Å; Q548-A552 WeakPolarHBondContact O-CB 3.43Å; Q548-A552 PolarHBondContact O-N 3.35Å |
| 549 | R | 82.8 | Confident | 74.2 | Confident | 203 Ų | 203 | 104.8 Ų | 104.8 | 77% | 0.766 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -37.1 | 176.2 | -170.6 | 174.2 | -177.6 | 171.5 | 1 | 112.4 | Q545 A546 A553 | Q545-R549 WeakPolarHBondContact O-CB 3.41Å; Q545-R549 PolarHBondContact O-N 3.39Å; A546-R549 PolarHBondContact O-N 3.41Å; R549-A553 VanDerWaalsContact O-CB 3.27Å; R549-A553 WeakPolarHBondContact O-CB 3.17Å; R549-A553 PolarHBondContact O-N 3.49Å |
| 550 | A | 76.5 | Confident | 71.8 | Confident | 58 Ų | 58 | 105 Ų | 105 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | A546 N547 A553 A554 | A546-A550 WeakPolarHBondContact O-CB 3.35Å; A546-A550 PolarHBondContact O-N 3.46Å; N547-A550 PolarHBondContact O-N 3Å; A550-A553 PolarHBondContact O-N 3.32Å; A550-A554 WeakPolarHBondContact O-CB 3.4Å; A550-A554 PolarHBondContact O-N 3.14Å |
| 551 | L | 73.7 | Confident | 69.2 | Low | 123 Ų | 123 | 105.6 Ų | 105.6 | 64% | 0.644 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -46.2 | 174 | -167.9 | 78.7 | 0 | 0 | 0 | 111.3 | N547 Q548 A553 A554 V555 | N547-L551 WeakPolarHBondContact O-CB 3.34Å; N547-L551 PolarHBondContact O-N 3.28Å; Q548-L551 PolarHBondContact O-N 2.96Å; L551-A553 VanDerWaalsContact C-N 3.33Å; L551-A553 PolarHBondContact O-N 3.34Å; L551-A554 PolarHBondContact O-N 3.46Å; L551-V555 WeakPolarHBondContact O-CG2 3.19Å; L551-V555 PolarHBondContact O-N 3.48Å |
| 552 | A | 69.1 | Low | 66.5 | Low | 60 Ų | 60 | 105.3 Ų | 105.3 | 50% | 0.496 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.6 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q548 A556 | Q548-A552 VanDerWaalsContact O-CB 3.29Å; Q548-A552 WeakPolarHBondContact O-CB 3.43Å; Q548-A552 PolarHBondContact O-N 3.35Å; A552-A556 WeakPolarHBondContact O-CB 3.3Å; A552-A556 PolarHBondContact O-N 3.09Å |
| 553 | A | 66.4 | Low | 63.7 | Low | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -40.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | R549 A550 L551 A556 A557 | R549-A553 VanDerWaalsContact O-CB 3.27Å; R549-A553 WeakPolarHBondContact O-CB 3.17Å; R549-A553 PolarHBondContact O-N 3.49Å; A550-A553 PolarHBondContact O-N 3.32Å; L551-A553 VanDerWaalsContact C-N 3.33Å; L551-A553 PolarHBondContact O-N 3.34Å; A553-A556 PolarHBondContact O-N 3.31Å; A553-A557 WeakPolarHBondContact O-CB 3.38Å; A553-A557 PolarHBondContact O-N 3.16Å |
| 554 | A | 58.9 | Low | 61 | Low | 58 Ų | 58 | 105.5 Ų | 105.5 | 48% | 0.479 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.3 | -40.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A550 L551 A557 | A550-A554 WeakPolarHBondContact O-CB 3.4Å; A550-A554 PolarHBondContact O-N 3.14Å; L551-A554 PolarHBondContact O-N 3.46Å; A554-A557 PolarHBondContact O-N 3.38Å |
| 555 | V | 58 | Low | 58.7 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.6 | -43.7 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L551 A557 G558 | L551-V555 WeakPolarHBondContact O-CG2 3.19Å; L551-V555 PolarHBondContact O-N 3.48Å; V555-A557 VanDerWaalsContact C-N 3.3Å; V555-A557 PolarHBondContact O-N 3.07Å; V555-G558 PolarHBondContact O-N 3.26Å |
| 556 | A | 52.1 | Low | 55.9 | Low | 91 Ų | 91 | 104.7 Ų | 104.7 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.3 | -26.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A552 A553 G558 | A552-A556 WeakPolarHBondContact O-CB 3.3Å; A552-A556 PolarHBondContact O-N 3.09Å; A553-A556 PolarHBondContact O-N 3.31Å; A556-G558 PolarHBondContact O-N 3.22Å |
| 557 | A | 49.6 | Very low | 53.6 | Low | 58 Ų | 58 | 108 Ų | 108 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -2.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A553 A554 V555 F559 | A553-A557 WeakPolarHBondContact O-CB 3.38Å; A553-A557 PolarHBondContact O-N 3.16Å; A554-A557 PolarHBondContact O-N 3.38Å; V555-A557 VanDerWaalsContact C-N 3.3Å; V555-A557 PolarHBondContact O-N 3.07Å; A557-F559 HydrophobicContact CB-CD2 3.87Å; A557-F559 HydrophobicContact CB-CE2 4.32Å; A557-F559 WeakPolarHBondContact O-CD2 3.44Å; A557-F559 PolarHBondContact O-N 3.48Å; A557-F559 VanDerWaalsContact O-N 3.14Å |
| 558 | G | 36.7 | Very low | 51.1 | Low | 61 Ų | 61 | 110 Ų | 110 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.9 | 14.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V555 A556 T560 | V555-G558 PolarHBondContact O-N 3.26Å; A556-G558 PolarHBondContact O-N 3.22Å; G558-T560 PolarHBondContact O-N 3.47Å; G558-T560 VanDerWaalsContact O-N 3.16Å |
| 559 | F | 40.2 | Very low | 48.6 | Very low | 180 Ų | 180 | 110.5 Ų | 110.5 | 79% | 0.789 | 69% | 0.691 | S | S | * | * | | | trans | -72.4 | 109.9 | -176.2 | -87.5 | -87.2 | 0 | 0 | 0 | 112 | A557 | A557-F559 HydrophobicContact CB-CD2 3.87Å; A557-F559 HydrophobicContact CB-CE2 4.32Å; A557-F559 WeakPolarHBondContact O-CD2 3.44Å; A557-F559 PolarHBondContact O-N 3.48Å; A557-F559 VanDerWaalsContact O-N 3.14Å |
| 560 | T | 41.4 | Very low | 46.3 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 68% | 0.681 | 70% | 0.695 | S | S | * | * | | | trans | -64.2 | 134.6 | 163.7 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | G558 V562 | G558-T560 PolarHBondContact O-N 3.47Å; G558-T560 VanDerWaalsContact O-N 3.16Å; T560-V562 PolarHBondContact O-N 2.8Å |
| 561 | P | 39.7 | Very low | 44.3 | Very low | 129 Ų | 129 | 114 Ų | 114 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | | | trans | -76.5 | 85.8 | -177.1 | 30.2 | -34.9 | 0 | 0 | 0 | 111 | S563 | P561-S563 PolarHBondContact O-N 3.47Š|
| 562 | V | 36.1 | Very low | 42.2 | Very low | 120 Ų | 120 | 115.2 Ų | 115.2 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -64.3 | 127.1 | 160.4 | 175.8 | 0 | 0 | 0 | 0 | 108 | T560 L564 | T560-V562 PolarHBondContact O-N 2.8Å; V562-L564 PolarHBondContact O-N 2.9Å |
| 563 | S | 32.8 | Very low | 40.5 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -59.8 | 108 | -175.7 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | P561 | P561-S563 PolarHBondContact O-N 3.47Š|
| 564 | L | 33.9 | Very low | 39 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | trans | -84.5 | 131.2 | 161.8 | -72.2 | 106 | 0 | 0 | 0 | 109.8 | V562 A566 | V562-L564 PolarHBondContact O-N 2.9Å; L564-A566 PolarHBondContact O-N 3.25Å |
| 565 | P | 37.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | -72.5 | 125.8 | 178.3 | 29 | -33.4 | 0 | 0 | 0 | 110.8 | T567 | P565-T567 VanDerWaalsContact C-N 3.31Å; P565-T567 PolarHBondContact O-N 2.82Å; P565-T567 PolarHBondContact O-OG1 3.49Å |
| 566 | A | 31.9 | Very low | 36.4 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -68.9 | 86.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L564 N568 | L564-A566 PolarHBondContact O-N 3.25Å; A566-N568 PolarHBondContact O-N 3.05Å |
| 567 | T | 36.3 | Very low | 35.4 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -88.4 | 95.1 | 169.3 | 30.5 | 0 | 0 | 0 | 0 | 108.6 | P565 T569 | P565-T567 VanDerWaalsContact C-N 3.31Å; P565-T567 PolarHBondContact O-N 2.82Å; P565-T567 PolarHBondContact O-OG1 3.49Å; T567-T569 PolarHBondContact O-N 3.18Å |
| 568 | N | 34.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -60.8 | 133 | 171.4 | -71 | -37.5 | 0 | 0 | 0 | 109.5 | A566 I570 | A566-N568 PolarHBondContact O-N 3.05Å; N568-I570 PolarHBondContact O-N 3.06Å; N568-I570 VanDerWaalsContact O-N 3.07Å |
| 569 | T | 33.5 | Very low | 34.3 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 107.4 | 174.6 | 36.3 | 0 | 0 | 0 | 0 | 110.9 | T567 | T567-T569 PolarHBondContact O-N 3.18Š|
| 570 | I | 35 | Very low | 33.9 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -108.3 | 132.2 | 151.1 | -63.1 | -179.1 | 0 | 0 | 0 | 106.1 | N568 | N568-I570 PolarHBondContact O-N 3.06Å; N568-I570 VanDerWaalsContact O-N 3.07Å |
| 571 | E | 32.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -78.9 | 158.8 | -169 | -57.3 | 174.8 | 120.2 | 0 | 0 | 112.7 | | |
| 572 | N | 30.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 53.6 | 108.2 | 166.3 | -75.9 | -37.4 | 0 | 0 | 0 | 118.1 | | |
| 573 | L | 33.5 | Very low | 32.8 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | | -178 | 98.5 | 108.8 | -94.2 | 155.8 | 0 | 0 | 0 | 112.8 | | |
| 574 | T | 33.6 | Very low | 32.7 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | 36.3 | 102.9 | 143.5 | 56.1 | 0 | 0 | 0 | 0 | 121.4 | | |
| 575 | G | 31.1 | Very low | 32.3 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | 79.4 | 161.2 | 145 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 576 | S | 31 | Very low | 32 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | cis | -175.9 | 157.8 | -20.6 | -169.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 577 | I | 31.6 | Very low | 32 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | 63.4 | 88.9 | 166.9 | -61.3 | 149 | 0 | 0 | 0 | 114 | | |
| 578 | S | 31.4 | Very low | 31.9 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | | 78.2 | 124.9 | 79.7 | 78.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 579 | G | 31.5 | Very low | 32 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 171.5 | 99.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 580 | N | 32.1 | Very low | 32.4 | Very low | 148 Ų | 148 | 124 Ų | 124 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 23.5 | 119.2 | 161.5 | -64.8 | -8.4 | 0 | 0 | 0 | 121.4 | | |
| 581 | P | 32.4 | Very low | 32.6 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -82.5 | 116.7 | 154.6 | 33 | -28.7 | 0 | 0 | 0 | 110.8 | | |
| 582 | V | 33.8 | Very low | 33 | Very low | 137 Ų | 137 | 117.7 Ų | 117.7 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | | | trans | -116.1 | 124.2 | 161.6 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 583 | G | 28.7 | Very low | 33.2 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | | | trans | -82.1 | 163.4 | -160.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 584 | L | 30.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | | | trans | -139.5 | 131.6 | 160.4 | -108.3 | 161.3 | 0 | 0 | 0 | 108.8 | G586 | L584-G586 PolarHBondContact O-N 3.44Š|
| 585 | C | 26 | Very low | 33.6 | Very low | 137 Ų | 137 | 106 Ų | 106 | 93% | 0.926 | 72% | 0.715 | S | S | * | * | | | trans | -80 | 116.5 | -167.5 | -57.9 | 0 | 0 | 0 | 0 | 112 | | |
| 586 | G | 30.4 | Very low | 33.9 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | | | trans | -115.7 | 102.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | L584 F588 | L584-G586 PolarHBondContact O-N 3.44Å; G586-F588 PolarHBondContact O-N 3.43Å |
| 587 | A | 31.3 | Very low | 34.5 | Very low | 103 Ų | 103 | 104.1 Ų | 104.1 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | | | trans | -75.4 | 94.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S589 | A587-S589 PolarHBondContact O-N 3.44Š|
| 588 | F | 33.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 99.7 Ų | 99.7 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | | | trans | -74.8 | 119.6 | 168.1 | -92.8 | -90.1 | 0 | 0 | 0 | 110.8 | G586 | G586-F588 PolarHBondContact O-N 3.43Š|
| 589 | S | 36.6 | Very low | 35 | Very low | 76 Ų | 76 | 96.4 Ų | 96.4 | 53% | 0.531 | 66% | 0.655 | S | S | . | * | | | trans | -68.5 | 140.6 | -177.7 | -49.4 | 0 | 0 | 0 | 0 | 112.2 | A587 S591 Q592 | A587-S589 PolarHBondContact O-N 3.44Å; S589-S591 PolarHBondContact O-N 3.06Å; S589-Q592 PolarHBondContact O-N 2.89Å |
| 590 | P | 42.9 | Very low | 35.5 | Very low | 90 Ų | 90 | 97.7 Ų | 97.7 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.5 | -11 | -177.4 | 24.3 | -34 | 0 | 0 | 0 | 114.6 | A594 | P590-A594 PolarHBondContact O-N 2.87Å |
| 591 | S | 38.5 | Very low | 35.8 | Very low | 70 Ų | 70 | 96.3 Ų | 96.3 | 49% | 0.49 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.8 | -33.3 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | S589 A595 | S589-S591 PolarHBondContact O-N 3.06Å; S591-A595 PolarHBondContact O-N 3.25Å |
| 592 | Q | 41.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 96.1 Ų | 96.1 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77 | -36.1 | 176.9 | -80.4 | -171.5 | -8.9 | 0 | 0 | 112.7 | S589 A595 A596 | S589-Q592 PolarHBondContact O-N 2.89Å; Q592-A595 PolarHBondContact O-N 3.31Å; Q592-A596 PolarHBondContact O-N 2.97Å |
| 593 | A | 36.1 | Very low | 36.5 | Very low | 63 Ų | 63 | 97.6 Ų | 97.6 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.4 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 A596 V597 | A593-A595 VanDerWaalsContact C-N 3.33Å; A593-A595 PolarHBondContact O-N 3.4Å; A593-A596 PolarHBondContact O-N 3.23Å; A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.27Å |
| 594 | A | 35.9 | Very low | 36.9 | Very low | 63 Ų | 63 | 97.7 Ų | 97.7 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.6 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | P590 V597 A598 | P590-A594 PolarHBondContact O-N 2.87Å; A594-V597 PolarHBondContact O-N 3.34Å; A594-A598 WeakPolarHBondContact O-CB 3.27Å; A594-A598 PolarHBondContact O-N 3.2Å |
| 595 | A | 38.8 | Very low | 37.3 | Very low | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S591 Q592 A593 A599 | S591-A595 PolarHBondContact O-N 3.25Å; Q592-A595 PolarHBondContact O-N 3.31Å; A593-A595 VanDerWaalsContact C-N 3.33Å; A593-A595 PolarHBondContact O-N 3.4Å; A595-A599 WeakPolarHBondContact O-CB 3.48Å; A595-A599 PolarHBondContact O-N 3.36Å |
| 596 | A | 37.5 | Very low | 37.7 | Very low | 57 Ų | 57 | 96 Ų | 96 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q592 A593 A599 N600 | Q592-A596 PolarHBondContact O-N 2.97Å; A593-A596 PolarHBondContact O-N 3.23Å; A596-A599 PolarHBondContact O-N 2.98Å; A596-N600 PolarHBondContact O-N 2.91Å |
| 597 | V | 42.7 | Very low | 37.8 | Very low | 89 Ų | 89 | 99.5 Ų | 99.5 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.6 | -45.3 | 175.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | A593 A594 A599 N600 M601 | A593-V597 WeakPolarHBondContact O-CG2 3.39Å; A593-V597 PolarHBondContact O-N 3.27Å; A594-V597 PolarHBondContact O-N 3.34Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.98Å; V597-N600 PolarHBondContact O-N 3.22Å; V597-M601 HydrophobicContact CG1-CG 4.44Å; V597-M601 WeakPolarHBondContact O-CG 3.4Å; V597-M601 PolarHBondContact O-N 3.18Å |
| 598 | A | 37.5 | Very low | 37.8 | Very low | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.3 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A594 N600 M601 L602 | A594-A598 WeakPolarHBondContact O-CB 3.27Å; A594-A598 PolarHBondContact O-N 3.2Å; A598-N600 PolarHBondContact O-N 3.19Å; A598-M601 PolarHBondContact O-N 3.4Å; A598-L602 PolarHBondContact O-N 3.11Å |
| 599 | A | 37.6 | Very low | 37.7 | Very low | 48 Ų | 48 | 97 Ų | 97 | 40% | 0.397 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A595 A596 V597 R603 | A595-A599 WeakPolarHBondContact O-CB 3.48Å; A595-A599 PolarHBondContact O-N 3.36Å; A596-A599 PolarHBondContact O-N 2.98Å; V597-A599 VanDerWaalsContact C-N 3.32Å; V597-A599 PolarHBondContact O-N 2.98Å; A599-R603 WeakPolarHBondContact O-CB 3.38Å; A599-R603 PolarHBondContact O-N 2.67Å |
| 600 | N | 40.3 | Very low | 37.4 | Very low | 100 Ų | 100 | 100.3 Ų | 100.3 | 54% | 0.535 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -78.5 | -34.3 | 173.9 | -86.3 | -10 | 0 | 0 | 0 | 113 | A596 V597 A598 R603 A604 | A596-N600 PolarHBondContact O-N 2.91Å; V597-N600 PolarHBondContact O-N 3.22Å; A598-N600 PolarHBondContact O-N 3.19Å; N600-R603 WeakPolarHBondContact O-CB 3.42Å; N600-R603 PolarHBondContact O-N 3.24Å; N600-R603 PolarHBondContact OD1-NH1 3.12Å; N600-A604 PolarHBondContact O-N 2.92Å |
| 601 | M | 38.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 59% | 0.591 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.5 | -46.1 | 170.7 | -73.1 | -72 | -158 | 0 | 0 | 111.6 | V597 A598 R603 A604 F605 | V597-M601 HydrophobicContact CG1-CG 4.44Å; V597-M601 WeakPolarHBondContact O-CG 3.4Å; V597-M601 PolarHBondContact O-N 3.18Å; A598-M601 PolarHBondContact O-N 3.4Å; M601-R603 VanDerWaalsContact C-N 3.28Å; M601-R603 PolarHBondContact O-N 3.29Å; M601-A604 PolarHBondContact O-N 3.07Å; M601-F605 PolarHBondContact O-N 3.48Å |
| 602 | L | 43.7 | Very low | 36.3 | Very low | 131 Ų | 131 | 107.9 Ų | 107.9 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.3 | -32.9 | 175.1 | -105.1 | 69.1 | 0 | 0 | 0 | 113 | A598 S606 | A598-L602 PolarHBondContact O-N 3.11Å; L602-S606 PolarHBondContact O-N 2.85Å; L602-S606 PolarHBondContact O-OG 3.39Å |
| 603 | R | 37.4 | Very low | 35.6 | Very low | 167 Ų | 167 | 108.3 Ų | 108.3 | 63% | 0.63 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.8 | -36.5 | 175.6 | -171.4 | 172.2 | -73.5 | 113.6 | 0.3 | 111.8 | A599 N600 M601 S606 | A599-R603 WeakPolarHBondContact O-CB 3.38Å; A599-R603 PolarHBondContact O-N 2.67Å; N600-R603 WeakPolarHBondContact O-CB 3.42Å; N600-R603 PolarHBondContact O-N 3.24Å; N600-R603 PolarHBondContact OD1-NH1 3.12Å; M601-R603 VanDerWaalsContact C-N 3.28Å; M601-R603 PolarHBondContact O-N 3.29Å; R603-S606 PolarHBondContact O-N 3.46Å |
| 604 | A | 37.1 | Very low | 35.2 | Very low | 74 Ų | 74 | 109.8 Ų | 109.8 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.5 | -32.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N600 M601 S606 | N600-A604 PolarHBondContact O-N 2.92Å; M601-A604 PolarHBondContact O-N 3.07Å; A604-S606 VanDerWaalsContact C-N 3.34Å |
| 605 | F | 38.2 | Very low | 35 | Very low | 189 Ų | 189 | 112.6 Ų | 112.6 | 83% | 0.829 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -79.8 | -11.4 | 175 | -90.8 | -87.8 | 0 | 0 | 0 | 114.4 | M601 N607 | M601-F605 PolarHBondContact O-N 3.48Å; F605-N607 VanDerWaalsContact C-N 3.28Å; F605-N607 PolarHBondContact O-N 3.46Å |
| 606 | S | 36.2 | Very low | 34.5 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | | | trans | -90.6 | 46.5 | -178.2 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | L602 R603 A604 S608 | L602-S606 PolarHBondContact O-N 2.85Å; L602-S606 PolarHBondContact O-OG 3.39Å; R603-S606 PolarHBondContact O-N 3.46Å; A604-S606 VanDerWaalsContact C-N 3.34Å; S606-S608 PolarHBondContact O-N 3.32Å |
| 607 | N | 32.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 70% | 0.695 | S | S | * | * | | | trans | -77.8 | 60.9 | -176 | -163.2 | 88.5 | 0 | 0 | 0 | 112.8 | F605 | F605-N607 VanDerWaalsContact C-N 3.28Å; F605-N607 PolarHBondContact O-N 3.46Å |
| 608 | S | 31.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | trans | -92.3 | 108.2 | 170.1 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | S606 N610 | S606-S608 PolarHBondContact O-N 3.32Å; S608-N610 PolarHBondContact O-N 2.87Å |
| 609 | T | 30.2 | Very low | 33.5 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | -73.6 | 112.4 | -172.9 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 610 | N | 30.4 | Very low | 33.2 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | -149.6 | 106.9 | 156.1 | -104.1 | -28.1 | 0 | 0 | 0 | 109.4 | S608 F612 | S608-N610 PolarHBondContact O-N 2.87Å; N610-F612 PolarHBondContact O-N 3.28Å |
| 611 | S | 27.7 | Very low | 32.7 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | | | trans | -78 | 108.3 | -179.8 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 612 | F | 29.8 | Very low | 32.2 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | -105.4 | 120 | 159.9 | -89.8 | -84.1 | 0 | 0 | 0 | 110.1 | N610 | N610-F612 PolarHBondContact O-N 3.28Š|
| 613 | N | 28 | Very low | 31.7 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | -72.2 | 130.4 | -179.1 | -179.7 | 0.4 | 0 | 0 | 0 | 110.2 | T615 | N613-T615 PolarHBondContact OD1-N 2.87Š|
| 614 | A | 28 | Very low | 31.6 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | | | trans | -142.3 | 36.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 615 | T | 31.5 | Very low | 31.2 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -136 | 54.9 | 176.3 | 30.2 | 0 | 0 | 0 | 0 | 113.3 | N613 | N613-T615 PolarHBondContact OD1-N 2.87Š|
| 616 | N | 28.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | -164.2 | 109.3 | 152.4 | -123 | -87 | 0 | 0 | 0 | 112.1 | | |
| 617 | L | 31.1 | Very low | 30.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | | | trans | -171.3 | 81.5 | 141.5 | -130.9 | 70.9 | 0 | 0 | 0 | 111.9 | | |
| 618 | T | 32.7 | Very low | 30.7 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | | | trans | -136.4 | 113.1 | 164.7 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 619 | S | 31.9 | Very low | 30.8 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | trans | 50.3 | 97 | 158.5 | -57.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 620 | N | 32 | Very low | 30.9 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | | -163.8 | 150.2 | 116.5 | -110.3 | -69 | 0 | 0 | 0 | 113.7 | | |
| 621 | R | 29.9 | Very low | 31 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | 19.2 | 148.9 | 146.1 | -69.3 | 171.5 | -169 | -131.6 | 0.4 | 120.6 | | |
| 622 | S | 29.3 | Very low | 31.2 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | | | cis | 172.4 | 171.5 | -11 | 52.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 623 | V | 32.8 | Very low | 31.5 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 71.6 | 131 | 167.8 | 175.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 624 | T | 33.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | cis | -153.2 | 165.9 | -4.1 | -113.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 625 | S | 30 | Very low | 32.2 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | -35.2 | 168.8 | 177.4 | -41 | 0 | 0 | 0 | 0 | 121.9 | | |
| 626 | N | 31.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | trans | 97.8 | 143.7 | 157.5 | -51.8 | -30 | 0 | 0 | 0 | 117.2 | | |
| 627 | S | 32.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | cis | -178.9 | 152.3 | -32.1 | -102.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 628 | N | 31.1 | Very low | 32.9 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | 71.1 | 165.5 | 158.5 | -66.1 | -13 | 0 | 0 | 0 | 121.5 | | |
| 629 | V | 33.3 | Very low | 33 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 80.1 | 96.8 | 168.2 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 630 | L | 32.4 | Very low | 33.3 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | | 76.4 | 141.3 | 74.7 | -70.3 | 164.7 | 0 | 0 | 0 | 112.6 | | |
| 631 | V | 32.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | cis | -161.1 | 159.8 | 5.8 | 78.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 632 | S | 31.5 | Very low | 33.6 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 61.2 | 163.1 | 158.9 | -65.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 633 | S | 35.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 124 Ų | 124 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | cis | -158 | 135.9 | -4.5 | 28.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 634 | A | 33.8 | Very low | 33.7 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | | 112.6 | 147.7 | 53.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 635 | S | 37.1 | Very low | 33.8 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 92% | 0.923 | 78% | 0.783 | S | S | * | * | | | trans | 69.4 | 135.3 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 117 | | |
| 636 | G | 34.4 | Very low | 33.9 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | cis | 149.3 | 122.1 | -14.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 637 | S | 36.3 | Very low | 34.1 | Very low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -169.2 | 158.3 | 152.9 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 638 | Q | 36.2 | Very low | 34.1 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -126.1 | 150.7 | -178.6 | -55.5 | 177.9 | 13.7 | 0 | 0 | 111.2 | | |
| 639 | N | 34.3 | Very low | 34.3 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | | -158.1 | 166.1 | 126.1 | -139.8 | -31.4 | 0 | 0 | 0 | 112.4 | | |
| 640 | A | 38.1 | Very low | 34.4 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | | | trans | -78.1 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 641 | N | 35.7 | Very low | 34.4 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | cis | -134.8 | 161.6 | 34.7 | -83 | -43.7 | 0 | 0 | 0 | 114.7 | | |
| 642 | A | 31.9 | Very low | 34.5 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -117.8 | 152.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 643 | V | 34.3 | Very low | 34.4 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | | | trans | -143.3 | 131.9 | 145.9 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 644 | Q | 30.5 | Very low | 34.2 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | | | trans | -114 | 131.6 | 176.1 | -79.5 | -177.6 | -96.6 | 0 | 0 | 112.4 | | |
| 645 | I | 35.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -155.2 | 114.8 | 158.9 | -60.1 | -172.8 | 0 | 0 | 0 | 105.6 | | |
| 646 | Q | 32 | Very low | 33.8 | Very low | 149 Ų | 149 | 125 Ų | 125 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | cis | 78.1 | 125.2 | 5.7 | -158.1 | 152.3 | -39.7 | 0 | 0 | 114.5 | | |
| 647 | A | 35.9 | Very low | 33.8 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | cis | -151.3 | 174.6 | 22.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 648 | N | 33.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | trans | 63.9 | 151.2 | 160.1 | -54.9 | -14.4 | 0 | 0 | 0 | 116.5 | | |
| 649 | G | 34.4 | Very low | 33.2 | Very low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | | | cis | 132.7 | 139.5 | 18 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 650 | A | 36 | Very low | 33.2 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | cis | -149.7 | 143.7 | 22.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 651 | H | 33.2 | Very low | 32.9 | Very low | 171 Ų | 171 | 125 Ų | 125 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | | | | 59.3 | 135.6 | 103.8 | -52.7 | -61.8 | 0 | 0 | 0 | 119.3 | | |
| 652 | T | 33.1 | Very low | 32.8 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | | | trans | 68.2 | 148.4 | 151.7 | 47.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 653 | S | 31 | Very low | 32.8 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | 175.1 | 170.3 | -35.7 | 49.7 | 0 | 0 | 0 | 0 | 112 | | |
| 654 | I | 31.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | trans | 83.4 | 120.9 | 156.8 | -56 | 171.4 | 0 | 0 | 0 | 119.1 | | |
| 655 | S | 32.3 | Very low | 32.9 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | | | trans | 59.6 | 173.2 | 149.8 | -67.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 656 | A | 30.5 | Very low | 33 | Very low | 78 Ų | 78 | 118 Ų | 118 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | | | cis | 179.5 | 157.3 | -41.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 657 | S | 32.7 | Very low | 33.2 | Very low | 106 Ų | 106 | 116.9 Ų | 116.9 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | 65.3 | 156.8 | 172.1 | -64 | 0 | 0 | 0 | 0 | 115.4 | | |
| 658 | Q | 32 | Very low | 33 | Very low | 171 Ų | 171 | 116.6 Ų | 116.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | cis | -154.5 | 159.8 | -14.4 | -117.2 | 170.1 | -2.9 | 0 | 0 | 110.1 | | |
| 659 | V | 29.1 | Very low | 32.8 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 1.8 | 128.1 | 145.1 | -169.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 660 | S | 33.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | | -172.1 | 128.5 | 94.5 | -69.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 661 | V | 31.5 | Very low | 32.2 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | 4.9 | 158.7 | 148.6 | -69.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 662 | S | 33.5 | Very low | 32 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | 76.6 | 137.2 | 165.4 | -56.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 663 | G | 31.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 116.7 Ų | 116.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | cis | 122.9 | 139.1 | 19.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 664 | S | 36.4 | Very low | 31.7 | Very low | 95 Ų | 95 | 120 Ų | 120 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | cis | -169.1 | 164.7 | 11.9 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 665 | N | 32.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 118.4 Ų | 118.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 63.2 | 147.6 | 154.3 | -58.4 | -11.5 | 0 | 0 | 0 | 118.1 | | |
| 666 | T | 35.7 | Very low | 31.6 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | cis | -163.9 | 172.6 | -14.8 | 16.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 667 | P | 36.9 | Very low | 31.6 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -99.6 | 159.2 | -151.9 | 37.9 | -38.2 | 0 | 0 | 0 | 119 | | |
| 668 | G | 32.9 | Very low | 31.6 | Very low | 65 Ų | 65 | 120.6 Ų | 120.6 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | -148.5 | 128.5 | 153 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 669 | V | 28.9 | Very low | 31.4 | Very low | 140 Ų | 140 | 121 Ų | 121 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | | 76 | 139.2 | 64.4 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 670 | V | 30.7 | Very low | 31.8 | Very low | 128 Ų | 128 | 120 Ų | 120 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 74 | 105.3 | -167.9 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 671 | Q | 26.2 | Very low | 31.4 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | | 92 | 145.1 | 50.3 | 179.2 | -179.4 | -41.6 | 0 | 0 | 113 | | |
| 672 | A | 28.8 | Very low | 31.3 | Very low | 87 Ų | 87 | 120.6 Ų | 120.6 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | 77.6 | 148.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 673 | S | 27.7 | Very low | 31 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | cis | -170.9 | 176.4 | -20.1 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 674 | L | 31.3 | Very low | 30.6 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | 70.4 | 152.3 | 165.3 | -56.4 | 152.3 | 0 | 0 | 0 | 115.2 | | |
| 675 | S | 29.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | cis | -163.1 | 166.2 | -20.8 | 50.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 676 | G | 31.4 | Very low | 29.8 | Very low | 60 Ų | 60 | 116.5 Ų | 116.5 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | | | trans | 117.3 | 61.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 677 | T | 31.5 | Very low | 29.3 | Very low | 127 Ų | 127 | 114.8 Ų | 114.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | | 79.5 | 132.5 | 92.8 | 58.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 678 | N | 31.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | | | trans | 84.1 | 60.8 | 156.8 | -54.8 | -7.5 | 0 | 0 | 0 | 119.4 | | |
| 679 | Q | 28.1 | Very low | 28.5 | Very low | 180 Ų | 180 | 112.9 Ų | 112.9 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | -84.5 | 175.7 | 134.9 | -94.6 | -131.8 | -15.2 | 0 | 0 | 109.7 | | |
| 680 | P | 38.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | | | cis | -146.8 | -172.1 | -30.1 | 39 | -19.7 | 0 | 0 | 0 | 116 | | |
| 681 | A | 25.3 | Very low | 28.2 | Very low | 90 Ų | 90 | 109.4 Ų | 109.4 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | | | trans | 75.8 | 171.5 | 138 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 682 | M | 28.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 106.6 Ų | 106.6 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | trans | 67.5 | 103.3 | 178.4 | -140.3 | 155.4 | -70.5 | 0 | 0 | 114.7 | L374 | L374-M682 HydrophobicContact CD2-SD 4.3Š|
| 683 | A | 26.2 | Very low | 28.4 | Very low | 91 Ų | 91 | 107.3 Ų | 107.3 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | cis | 84.2 | 134.5 | 31.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 684 | A | 24.9 | Very low | 28.4 | Very low | 97 Ų | 97 | 107.6 Ų | 107.6 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | trans | 71.6 | 119.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 685 | A | 24.9 | Very low | 28.3 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | 66.4 | 152 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 686 | A | 25.9 | Very low | 28.3 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | | | cis | -141.5 | 177.7 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S372 | S372-A686 WeakPolarHBondContact OG-CB 3.16Š|
| 687 | A | 26 | Very low | 28.2 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | trans | -79.9 | 155.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 688 | A | 26.2 | Very low | 28.7 | Very low | 60 Ų | 60 | 113.5 Ų | 113.5 | 50% | 0.496 | 74% | 0.739 | S | S | . | * | | | trans | -176.4 | 156.2 | 132.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V370 | V370-A688 HydrophobicContact CB-CB 4.1Å; V370-A688 HydrophobicContact CG1-CB 3.75Å; V370-A688 HydrophobicContact CG2-CB 3.27Å |
| 689 | A | 26.6 | Very low | 28.5 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | | | trans | 55.7 | 120.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 690 | A | 27.2 | Very low | 28.9 | Very low | 97 Ų | 97 | 110.8 Ų | 110.8 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | | | cis | 72.7 | 140.3 | 30.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 691 | A | 26.5 | Very low | 28.5 | Very low | 99 Ų | 99 | 111.4 Ų | 111.4 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | 66.1 | 151.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 692 | V | 29.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | | | cis | -124.5 | 142.4 | 2.7 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 693 | A | 28.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | | | trans | -88 | 102.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 694 | S | 28.5 | Very low | 29.7 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | | | trans | -126.3 | 114.6 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 695 | Q | 29 | Very low | 30.5 | Very low | 171 Ų | 171 | 112.6 Ų | 112.6 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | | 74.1 | 71.1 | 67.5 | -69.6 | -73.6 | 12.6 | 0 | 0 | 114.1 | | |
| 696 | H | 28.6 | Very low | 31.1 | Very low | 163 Ų | 163 | 114.2 Ų | 114.2 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | -176.9 | 150.1 | 158.3 | -103.9 | 53.9 | 0 | 0 | 0 | 106.1 | | |
| 697 | F | 31 | Very low | 31.7 | Very low | 151 Ų | 151 | 117.2 Ų | 117.2 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | cis | -169.6 | -172.9 | -3.5 | -137.3 | -135 | 0 | 0 | 0 | 106.3 | | |
| 698 | P | 40.8 | Very low | 32.1 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | cis | -97.6 | 155.4 | -45 | 11.1 | 12.5 | 0 | 0 | 0 | 110.5 | | |
| 699 | T | 28.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | | 62 | 149.2 | 67.1 | 73.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 700 | Q | 34.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | | | trans | 93 | 128.5 | -176.9 | -55.1 | -80.6 | 33.1 | 0 | 0 | 116.5 | | |
| 701 | T | 31.8 | Very low | 32.9 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | cis | -171.5 | 158.8 | -29.2 | 6.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 702 | S | 32.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 132.5 Ų | 132.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | 65.7 | 131.6 | 152.2 | -170.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 703 | V | 39.1 | Very low | 33.6 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | cis | -152.3 | 132.9 | 2.1 | -107.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 704 | S | 32.6 | Very low | 33.9 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | | 73.4 | 149.6 | 96.6 | -78.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 705 | P | 42.3 | Very low | 34.4 | Very low | 114 Ų | 114 | 139 Ų | 139 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | | | trans | -128.4 | -170.8 | -141.1 | 43.5 | -28.9 | 0 | 0 | 0 | 114.7 | | |
| 706 | T | 38.5 | Very low | 34.4 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 76% | 0.76 | S | S | * | * | | | | 169.9 | 158.9 | 129.4 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 707 | V | 37.1 | Very low | 34.5 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | 76.2 | 136.9 | 173.6 | -166.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 708 | M | 34.1 | Very low | 34.6 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | cis | -164.3 | 127.5 | -35.1 | -170 | 153.8 | -175.9 | 0 | 0 | 110.7 | | |
| 709 | S | 30.4 | Very low | 34.1 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | | | trans | 66 | 150 | 155.5 | -61.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 710 | Y | 35.2 | Very low | 34.3 | Very low | 222 Ų | 222 | 128.6 Ų | 128.6 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | | | trans | 65.6 | 111.1 | 170.6 | -79.2 | -80.3 | 0 | 0 | 0 | 120 | | |
| 711 | L | 32.4 | Very low | 34.2 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.2 | 166.7 | -74.4 | 63 | 0 | 0 | 0 | 109.6 | | |
| 712 | P | 40.7 | Very low | 34.2 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 157.8 | 167.9 | 34.6 | -33.4 | 0 | 0 | 0 | 112.2 | | |
| 713 | D | 30.1 | Very low | 34.1 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 129.8 | -173.6 | -163.4 | -16.5 | 0 | 0 | 0 | 113.1 | N715 | D713-N715 PolarHBondContact O-N 3.4Å; D713-N715 VanDerWaalsContact O-N 3.13Å |
| 714 | L | 33.7 | Very low | 33.9 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 35.5 | -175.7 | -90.6 | 169.3 | 0 | 0 | 0 | 113.5 | | |
| 715 | N | 39.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 127 Ų | 127 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.7 | 0.4 | 177.7 | -153.3 | 24.2 | 0 | 0 | 0 | 115.8 | D713 | D713-N715 PolarHBondContact O-N 3.4Å; D713-N715 VanDerWaalsContact O-N 3.13Å |
| 716 | A | 29.8 | Very low | 34.2 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -142.2 | 56.2 | -167 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 717 | A | 30.7 | Very low | 33.9 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -134.1 | -8.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A719 | A717-A719 PolarHBondContact O-N 2.99Š|
| 718 | A | 31.5 | Very low | 34.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 93% | 0.934 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 3.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 719 | A | 30.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -1.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A717 | A717-A719 PolarHBondContact O-N 2.99Š|
| 720 | A | 32 | Very low | 34.5 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -116.6 | 11.5 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 721 | A | 32.6 | Very low | 34.8 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -116.3 | 11.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S723 | A721-S723 VanDerWaalsContact C-N 3.34Š|
| 722 | A | 33.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -87.9 | 5.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 723 | S | 30.7 | Very low | 35 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | | | trans | -130.6 | 65.1 | -167.8 | 61.5 | 0 | 0 | 0 | 0 | 113.4 | A721 | A721-S723 VanDerWaalsContact C-N 3.34Š|
| 724 | M | 34.3 | Very low | 35.3 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -162.9 | 126.6 | 150.4 | -132.3 | 72.5 | -170.8 | 0 | 0 | 112.5 | | |
| 725 | D | 40.7 | Very low | 35.2 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 66% | 0.658 | 80% | 0.8 | S | S | * | * | | | trans | 20.4 | 100.3 | 160.8 | -60.6 | -64.6 | 0 | 0 | 0 | 122.2 | Y727 | D725-Y727 VanDerWaalsContact C-N 3.26Å; D725-Y727 PolarHBondContact O-N 3.41Å; D725-Y727 VanDerWaalsContact O-N 3.09Å |
| 726 | P | 40.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 41.3 | 172 | 36.8 | -37 | 0 | 0 | 0 | 113.8 | | |
| 727 | Y | 32.7 | Very low | 35.6 | Very low | 202 Ų | 202 | 133 Ų | 133 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -17.9 | -167.2 | -116.4 | -79.4 | 0 | 0 | 0 | 117.8 | D725 | D725-Y727 VanDerWaalsContact C-N 3.26Å; D725-Y727 PolarHBondContact O-N 3.41Å; D725-Y727 VanDerWaalsContact O-N 3.09Å |
| 728 | L | 40.6 | Very low | 35.8 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -110.1 | -14.5 | -163 | -110.9 | -65.6 | 0 | 0 | 0 | 117.6 | | |
| 729 | N | 35.8 | Very low | 36 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 47.1 | -166.4 | -157.5 | 8.9 | 0 | 0 | 0 | 115.8 | | |
| 730 | R | 37.5 | Very low | 36.5 | Very low | 245 Ų | 245 | 138.6 Ų | 138.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -1.9 | 171.2 | -99.1 | -162.6 | -179.1 | -138.1 | 2.7 | 115.7 | | |
| 731 | L | 42.4 | Very low | 36.6 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -102.9 | -14.8 | -178.3 | -92.6 | 68.9 | 0 | 0 | 0 | 114.8 | A733 | L731-A733 PolarHBondContact O-N 3.43Š|
| 732 | A | 39.3 | Very low | 36.9 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -4.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 733 | A | 37.8 | Very low | 37 | Very low | 109 Ų | 109 | 143 Ų | 143 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 25.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L731 | L731-A733 PolarHBondContact O-N 3.43Š|
| 734 | G | 35.4 | Very low | 37.6 | Very low | 61 Ų | 61 | 144.3 Ų | 144.3 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -109.5 | -9.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 735 | Y | 32.6 | Very low | 37.9 | Very low | 236 Ų | 236 | 142.1 Ų | 142.1 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -139.5 | 87.3 | -167.1 | -74.3 | -88.6 | 0 | 0 | 0 | 113.1 | | |
| 736 | A | 37.1 | Very low | 37.8 | Very low | 98 Ų | 98 | 140 Ų | 140 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -164.9 | 19.8 | 168 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 737 | I | 40.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -147.9 | 105.1 | 168 | 14.9 | 175.3 | 0 | 0 | 0 | 112.2 | | |
| 738 | N | 35.1 | Very low | 38.2 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -107.4 | 173.1 | 166.9 | -91.5 | -55.2 | 0 | 0 | 0 | 109.9 | | |
| 739 | N | 33.9 | Very low | 38.2 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | 73.7 | 68.2 | 174.9 | -63.9 | 16.9 | 0 | 0 | 0 | 117.2 | | |
| 740 | A | 41.9 | Very low | 38.7 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -142.4 | 122 | 141.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V742 | A740-V742 PolarHBondContact O-N 3.39Š|
| 741 | V | 34.6 | Very low | 38.5 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -84.8 | 113.2 | -177.3 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | T743 | V741-T743 HydrophobicContact CG1-CG2 4.46Š|
| 742 | V | 38.5 | Very low | 38.5 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | | | trans | -136.7 | 116.4 | 163.3 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | A740 | A740-V742 PolarHBondContact O-N 3.39Š|
| 743 | T | 36.3 | Very low | 38.6 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | trans | -92.7 | 98.3 | -176 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | V741 | V741-T743 HydrophobicContact CG1-CG2 4.46Š|
| 744 | T | 42.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -161.5 | 127.3 | 159.5 | 1.5 | 0 | 0 | 0 | 0 | 110.9 | A746 | T744-A746 PolarHBondContact O-N 2.85Š|
| 745 | P | 41.1 | Very low | 39.3 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | | | trans | -83.5 | 102.7 | -176.9 | 31.4 | -33.1 | 0 | 0 | 0 | 112.3 | I747 | P745-I747 PolarHBondContact O-N 3.5Š|
| 746 | A | 37.7 | Very low | 39.9 | Very low | 79 Ų | 79 | 147 Ų | 147 | 65% | 0.653 | 80% | 0.799 | S | S | * | * | | | trans | -75.2 | 107.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T744 Y748 | T744-A746 PolarHBondContact O-N 2.85Å; A746-Y748 HydrophobicContact CB-CE2 4.43Å; A746-Y748 PolarHBondContact O-N 3.36Å |
| 747 | I | 44 | Very low | 40.4 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | | | trans | -73.9 | 90.7 | -178.1 | -55.3 | 178.6 | 0 | 0 | 0 | 110.6 | P745 R749 | P745-I747 PolarHBondContact O-N 3.5Å; I747-R749 HydrophobicContact CG2-CG 4.37Å; I747-R749 PolarHBondContact O-N 3.25Å; I747-R749 VanDerWaalsContact O-N 3.09Å |
| 748 | Y | 37.8 | Very low | 40.5 | Very low | 205 Ų | 205 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -72 | 93.7 | 165.4 | -83.3 | -91.5 | 0 | 0 | 0 | 110.4 | A746 T750 | A746-Y748 HydrophobicContact CB-CE2 4.43Å; A746-Y748 PolarHBondContact O-N 3.36Å; Y748-T750 PolarHBondContact O-N 3.05Å |
| 749 | R | 41.2 | Very low | 41.7 | Very low | 238 Ų | 238 | 145.4 Ų | 145.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | -70.5 | 92.6 | 164.1 | -87.7 | -174.8 | 169.6 | 165.6 | -2.5 | 109.9 | I747 | I747-R749 HydrophobicContact CG2-CG 4.37Å; I747-R749 PolarHBondContact O-N 3.25Å; I747-R749 VanDerWaalsContact O-N 3.09Å |
| 750 | T | 47.1 | Very low | 42.4 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | | | trans | -68.4 | 125.8 | 163.4 | 43.3 | 0 | 0 | 0 | 0 | 109.5 | Y748 S752 | Y748-T750 PolarHBondContact O-N 3.05Å; T750-S752 PolarHBondContact O-N 3.29Å; T750-S752 VanDerWaalsContact O-N 3.12Å |
| 751 | N | 32.7 | Very low | 42.4 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -78.9 | 97.2 | 174.8 | -171.6 | -12.8 | 0 | 0 | 0 | 109.2 | | |
| 752 | S | 41.8 | Very low | 42.9 | Very low | 98 Ų | 98 | 155.8 Ų | 155.8 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -151 | 45.6 | 177.5 | -64.5 | 0 | 0 | 0 | 0 | 112 | T750 Y754 | T750-S752 PolarHBondContact O-N 3.29Å; T750-S752 VanDerWaalsContact O-N 3.12Å; S752-Y754 PolarHBondContact O-N 2.96Å; S752-Y754 VanDerWaalsContact O-N 3.15Å |
| 753 | S | 41.2 | Very low | 43.1 | Very low | 115 Ų | 115 | 157.3 Ų | 157.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -84.5 | 75.9 | 171.9 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 754 | Y | 41 | Very low | 43.5 | Very low | 214 Ų | 214 | 159.2 Ų | 159.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | trans | -147.9 | 37.9 | 166.2 | -125.4 | -77.7 | 0 | 0 | 0 | 113.6 | S752 | S752-Y754 PolarHBondContact O-N 2.96Å; S752-Y754 VanDerWaalsContact O-N 3.15Å |
| 755 | Q | 47.2 | Very low | 43.6 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -90.4 | 111.2 | 162.9 | -79.7 | -173.2 | -23.6 | 0 | 0 | 109.9 | F757 | Q755-F757 PolarHBondContact O-N 3.42Š|
| 756 | R | 44.7 | Very low | 43.7 | Very low | 213 Ų | 213 | 164.3 Ų | 164.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -69.5 | 119.1 | 168.1 | -73.8 | 169.2 | 160 | -112.5 | 3.1 | 109.1 | | |
| 757 | F | 47.9 | Very low | 44.2 | Very low | 185 Ų | 185 | 170.4 Ų | 170.4 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -113.5 | 109.6 | 151.7 | -88.1 | -86.6 | 0 | 0 | 0 | 108 | Q755 | Q755-F757 PolarHBondContact O-N 3.42Š|
| 758 | S | 43.2 | Very low | 44.2 | Very low | 88 Ų | 88 | 171.8 Ų | 171.8 | 62% | 0.615 | 82% | 0.819 | S | S | * | * | | | trans | -73.1 | 137 | 164.1 | -58.6 | 0 | 0 | 0 | 0 | 108.2 | Y760 | S758-Y760 PolarHBondContact O-N 3.41Š|
| 759 | P | 59.3 | Low | 44.7 | Very low | 128 Ų | 128 | 169.1 Ų | 169.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | trans | -73 | 125.9 | 172.6 | 29.8 | -32.6 | 0 | 0 | 0 | 110.5 | | |
| 760 | Y | 49.5 | Very low | 45.1 | Very low | 303 Ų | 303 | 162.8 Ų | 162.8 | 100% | 1.188 | 81% | 0.813 | S | S | * | * | | | trans | -141.9 | 0 | 160 | -100.5 | -70.9 | 0 | 0 | 0 | 107.2 | S758 | S758-Y760 PolarHBondContact O-N 3.41Š|