| 1 | M | 41.2 | Very low | 40.7 | Very low | 243 Ų | 243 | 176.5 Ų | 176.5 | 100% | 1.197 | 89% | 0.887 | S | S | * | * | | | | 0 | 98.3 | 0 | -170 | 169 | 155.5 | 0 | 0 | 107.1 | L3 | M1-L3 PolarHBondContact O-N 3.45Š|
| 2 | L | 39.4 | Very low | 40.7 | Very low | 164 Ų | 164 | 173.3 Ų | 173.3 | 86% | 0.859 | 88% | 0.883 | S | S | * | * | | | trans | 4.5 | 88.1 | 172.8 | -73.1 | 146.8 | 0 | 0 | 0 | 119.5 | | |
| 3 | L | 42 | Very low | 40.7 | Very low | 159 Ų | 159 | 174.8 Ų | 174.8 | 83% | 0.832 | 88% | 0.884 | S | S | * | * | | | trans | -155.5 | 100.6 | 154.1 | -79.3 | 176.5 | 0 | 0 | 0 | 106.2 | M1 | M1-L3 PolarHBondContact O-N 3.45Š|
| 4 | L | 43.2 | Very low | 40.6 | Very low | 168 Ų | 168 | 175.9 Ų | 175.9 | 88% | 0.88 | 89% | 0.885 | S | S | * | * | | | trans | 157.8 | 68.9 | 164.4 | -86.8 | 153.5 | 0 | 0 | 0 | 109.8 | | |
| 5 | Q | 42.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 173.9 Ų | 173.9 | 79% | 0.794 | 88% | 0.877 | S | S | * | * | | | trans | -147.5 | 39.5 | 175.9 | -157.2 | 166.6 | -18 | 0 | 0 | 114.3 | | |
| 6 | W | 44.2 | Very low | 40.5 | Very low | 247 Ų | 247 | 170.6 Ų | 170.6 | 94% | 0.936 | 87% | 0.868 | S | S | * | * | S | Bend | trans | -133.7 | 9.3 | 177.3 | -77.6 | 89.7 | 0 | 0 | 0 | 115.9 | | |
| 7 | D | 40.7 | Very low | 40.5 | Very low | 152 Ų | 152 | 170.9 Ų | 170.9 | 81% | 0.813 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -104.8 | 14.2 | -173.1 | -78.2 | -32.8 | 0 | 0 | 0 | 116.4 | | |
| 8 | V | 41.1 | Very low | 40.7 | Very low | 135 Ų | 135 | 167.4 Ų | 167.4 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -117.6 | 1.1 | -169.5 | -173.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 9 | Y | 36.4 | Very low | 40.9 | Very low | 236 Ų | 236 | 166.1 Ų | 166.1 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -111.3 | 8 | -172.8 | -100.9 | -86.1 | 0 | 0 | 0 | 117.2 | | |
| 10 | A | 39.9 | Very low | 41.1 | Very low | 100 Ų | 100 | 165.3 Ų | 165.3 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -102.9 | 17.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 11 | L | 37.3 | Very low | 41.3 | Very low | 168 Ų | 168 | 162 Ų | 162 | 88% | 0.88 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -134.9 | 18.4 | -169.2 | -132.6 | 123.2 | 0 | 0 | 0 | 117.2 | | |
| 12 | V | 40.4 | Very low | 41.7 | Very low | 138 Ų | 138 | 157.6 Ų | 157.6 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -136 | 93.4 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 109 | | |
| 13 | E | 40.8 | Very low | 42.1 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 163.5 | 9.9 | 150.3 | -96.5 | -172.5 | 159.2 | 0 | 0 | 114.8 | D15 | E13-D15 PolarHBondContact O-N 3.31Š|
| 14 | Q | 38.7 | Very low | 42.2 | Very low | 191 Ų | 191 | 158.3 Ų | 158.3 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -86.9 | 14.8 | -171.6 | -136.5 | 172.7 | 2.7 | 0 | 0 | 116.7 | | |
| 15 | D | 36.1 | Very low | 42.1 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -137.2 | 21 | -163.1 | -105.9 | -12.6 | 0 | 0 | 0 | 118.3 | E13 | E13-D15 PolarHBondContact O-N 3.31Š|
| 16 | V | 44.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -124.5 | -1.6 | -172.2 | -174 | 0 | 0 | 0 | 0 | 117.2 | | |
| 17 | F | 39.3 | Very low | 42 | Very low | 176 Ų | 176 | 153.2 Ų | 153.2 | 77% | 0.772 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -131.5 | 32.4 | -177.9 | -86.3 | -78.2 | 0 | 0 | 0 | 116.4 | | |
| 18 | T | 44 | Very low | 42 | Very low | 108 Ų | 108 | 152.6 Ų | 152.6 | 66% | 0.663 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -97.1 | 10.1 | -176.7 | 10.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 19 | D | 44.6 | Very low | 42.1 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -132.2 | -8.4 | -178 | -108.9 | -29.5 | 0 | 0 | 0 | 117.4 | | |
| 20 | E | 45.4 | Very low | 42.3 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -100.5 | -15.5 | -175.2 | -151.3 | 163.5 | -176.2 | 0 | 0 | 114.3 | | |
| 21 | A | 46.1 | Very low | 42.2 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -91.8 | -7.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 22 | L | 48.9 | Very low | 42.6 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -97.2 | -4 | -178.2 | -87.5 | 155.2 | 0 | 0 | 0 | 114.2 | | |
| 23 | S | 48.4 | Very low | 42.5 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -102.6 | 9.3 | -179.2 | -78.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 24 | R | 44.2 | Very low | 42.5 | Very low | 227 Ų | 227 | 140.6 Ų | 140.6 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -130.1 | 10.9 | -169.1 | -107.9 | -179.2 | 177.6 | 147.2 | -0.3 | 118.3 | | |
| 25 | G | 40.6 | Very low | 42.7 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -134.8 | 6.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | L27 | G25-L27 PolarHBondContact O-N 3.42Š|
| 26 | R | 36.7 | Very low | 42.9 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -90.7 | 91.1 | 176.9 | -171.6 | 179.1 | -175.8 | 173.1 | 1.6 | 109.1 | | |
| 27 | L | 46.8 | Very low | 42.3 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -158.9 | 90.4 | 165.7 | -106.6 | 151.7 | 0 | 0 | 0 | 110.2 | G25 | G25-L27 PolarHBondContact O-N 3.42Š|
| 28 | D | 41.8 | Very low | 42.5 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | 30.5 | 97 | 140.4 | -55.2 | -32.2 | 0 | 0 | 0 | 118.6 | D30 | D28-D30 VanDerWaalsContact C-N 3.3Å; D28-D30 PolarHBondContact O-N 2.93Å |
| 29 | A | 42.8 | Very low | 42.5 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 82.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 30 | D | 40.4 | Very low | 42.1 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.7 | 4 | 159.8 | -104.4 | -15.4 | 0 | 0 | 0 | 115.7 | D28 L32 | D28-D30 VanDerWaalsContact C-N 3.3Å; D28-D30 PolarHBondContact O-N 2.93Å; D30-L32 PolarHBondContact O-N 2.82Å |
| 31 | S | 38.9 | Very low | 41.9 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -90.9 | 95.3 | -179.4 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 32 | L | 44 | Very low | 41.5 | Very low | 143 Ų | 143 | 143 Ų | 143 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | 32.2 | 108.3 | 134 | -76.1 | 111.6 | 0 | 0 | 0 | 116 | D30 | D30-L32 PolarHBondContact O-N 2.82Š|
| 33 | A | 38.9 | Very low | 41.1 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | | 41.5 | 116.6 | 91.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 34 | T | 41.1 | Very low | 40.5 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | 93 | 92.8 | 162.9 | -18 | 0 | 0 | 0 | 0 | 117.2 | | |
| 35 | E | 43.3 | Very low | 40.6 | Very low | 191 Ų | 191 | 138.6 Ų | 138.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | -176.6 | 90.2 | 146.6 | -116.6 | 179.1 | 140.8 | 0 | 0 | 107 | | |
| 36 | F | 40.7 | Very low | 40.9 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | | 35.9 | 93.7 | 87.3 | -103.2 | -88.5 | 0 | 0 | 0 | 115.7 | | |
| 37 | D | 31.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | | 64.5 | 94 | 124.7 | -143.8 | 11.5 | 0 | 0 | 0 | 117.8 | | |
| 38 | A | 43.1 | Very low | 40.7 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | | | trans | -156.3 | 108.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 39 | V | 44 | Very low | 40.5 | Very low | 124 Ų | 124 | 141.7 Ų | 141.7 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | | 76.9 | 98.9 | 125.7 | -172.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 40 | H | 37.8 | Very low | 40.5 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | | 41.2 | 137.9 | 128.1 | -69.6 | -40.5 | 0 | 0 | 0 | 123.2 | | |
| 41 | A | 40.1 | Very low | 40.9 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 115.7 | 131.7 | 147.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 42 | H | 38.1 | Very low | 41.4 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | | | cis | -167.9 | 130.8 | -0.1 | -126.2 | -73.1 | 0 | 0 | 0 | 105 | | |
| 43 | I | 40.3 | Very low | 41.2 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | trans | -126.4 | 112.4 | 159.6 | -58 | 174.5 | 0 | 0 | 0 | 105.9 | | |
| 44 | P | 36.1 | Very low | 41.2 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | | | trans | -108.9 | 119.7 | 164.3 | 30.8 | -17.5 | 0 | 0 | 0 | 109.2 | | |
| 45 | T | 46.1 | Very low | 41 | Very low | 132 Ų | 132 | 154.7 Ų | 154.7 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -136.7 | 127.4 | 159 | -38.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 46 | E | 46.1 | Very low | 40.8 | Very low | 164 Ų | 164 | 152.5 Ų | 152.5 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -60 | 165.4 | -166.1 | -55.5 | 178.2 | 138.5 | 0 | 0 | 115 | | |
| 47 | R | 43 | Very low | 40.7 | Very low | 225 Ų | 225 | 151.8 Ų | 151.8 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | 92.4 | 139.1 | 158.3 | -55.8 | -175.3 | -172.6 | -179.5 | 0.9 | 114.9 | | |
| 48 | M | 36.9 | Very low | 41.1 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | cis | 178.4 | 144.3 | -10.8 | -176.5 | 152.3 | 156.5 | 0 | 0 | 103.3 | | |
| 49 | S | 38.6 | Very low | 41.2 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 92.1 | 126.7 | 160.2 | -148.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 50 | D | 41.7 | Very low | 41.3 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -62.4 | 172.3 | 175.1 | -62.9 | -63.7 | 0 | 0 | 0 | 114.2 | | |
| 51 | D | 48.9 | Very low | 41.4 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 78.4 | 80.9 | 162.2 | -59.1 | -37.5 | 0 | 0 | 0 | 116.4 | | |
| 52 | D | 48.4 | Very low | 41.8 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | | -167.6 | 77.2 | 129.4 | -92.1 | -30.8 | 0 | 0 | 0 | 110 | | |
| 53 | Q | 41.4 | Very low | 42 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 77% | 0.771 | 80% | 0.8 | S | S | * | * | | | trans | -65.2 | 135.1 | 158.2 | -107.4 | -171 | 22 | 0 | 0 | 109.3 | | |
| 54 | Q | 37.7 | Very low | 41.8 | Very low | 174 Ų | 174 | 156.2 Ų | 156.2 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | 70.2 | 113.6 | 155.2 | -60.7 | 176.3 | -15.8 | 0 | 0 | 116.3 | | |
| 55 | K | 37 | Very low | 42.3 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | | 154.8 | 138.8 | 119.6 | -164.6 | 174.7 | -172.3 | -172.5 | 0 | 109.5 | | |
| 56 | L | 40 | Very low | 41.8 | Very low | 145 Ų | 145 | 154.7 Ų | 154.7 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | | | trans | 95.4 | 80.6 | 174.5 | -56.8 | 146.6 | 0 | 0 | 0 | 113.9 | | |
| 57 | Q | 38.5 | Very low | 41.6 | Very low | 172 Ų | 172 | 152.4 Ų | 152.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 82 | 98.8 | 87.9 | -79.5 | -178.7 | -11 | 0 | 0 | 113.7 | | |
| 58 | S | 39.3 | Very low | 41.4 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | trans | 16.9 | 136.5 | 144.8 | 54.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 59 | P | 46.2 | Very low | 41.4 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 142.2 | 170.1 | 33.1 | -31.9 | 0 | 0 | 0 | 110.9 | | |
| 60 | P | 46.1 | Very low | 41.4 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 124 | 174.1 | 31 | -29.2 | 0 | 0 | 0 | 111 | M62 | P60-M62 PolarHBondContact O-N 3.09Š|
| 61 | V | 39.7 | Very low | 41.1 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 79% | 0.788 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 122.8 | 157.5 | 175.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 62 | M | 47.2 | Very low | 40.5 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -110 | 116.2 | 170.1 | -139.7 | 157.3 | -159.1 | 0 | 0 | 110.1 | P60 | P60-M62 PolarHBondContact O-N 3.09Š|
| 63 | N | 43 | Very low | 40.1 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | -62.3 | 136.8 | -176 | -68.5 | -38.7 | 0 | 0 | 0 | 112.5 | P65 | N63-P65 WeakPolarHBondContact O-CD 3.4Š|
| 64 | W | 36.8 | Very low | 39.8 | Very low | 253 Ų | 253 | 140.6 Ų | 140.6 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | trans | -80.1 | 127.9 | 155.1 | -86.2 | 74.3 | 0 | 0 | 0 | 109.6 | | |
| 65 | P | 45.7 | Very low | 39.8 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | trans | -116 | 128.8 | 154.5 | 30.8 | -18.4 | 0 | 0 | 0 | 110.7 | N63 | N63-P65 WeakPolarHBondContact O-CD 3.4Š|
| 66 | A | 34.7 | Very low | 40 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -60 | 131.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 67 | S | 43.5 | Very low | 40.1 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -156.3 | 144.1 | 163.3 | -84.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 68 | D | 39.1 | Very low | 40.4 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -81.7 | 156.5 | -155 | -65.3 | -62.2 | 0 | 0 | 0 | 115.7 | | |
| 69 | S | 36.1 | Very low | 41 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | trans | 85.2 | 144.2 | 144.6 | 84.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 70 | I | 38.6 | Very low | 41.1 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | | | trans | 86.4 | 108.3 | 176 | -48.1 | 159.8 | 0 | 0 | 0 | 111.9 | | |
| 71 | G | 36.2 | Very low | 41.2 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | cis | 163.2 | 128.7 | 11.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 72 | G | 35.6 | Very low | 41.5 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | 158 | 73.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S74 | G72-S74 PolarHBondContact O-N 3.41Š|
| 73 | Q | 39.5 | Very low | 41.4 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | | | trans | -50 | 122.7 | -177.9 | -74.4 | 173.9 | -11.1 | 0 | 0 | 112.2 | | |
| 74 | S | 34.4 | Very low | 41.4 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 157.5 | 152.3 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | G72 | G72-S74 PolarHBondContact O-N 3.41Š|
| 75 | S | 39.2 | Very low | 41.6 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | 92.8 | 132.1 | 154.9 | 84.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 76 | K | 40.4 | Very low | 41.3 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | trans | 82.3 | 83.3 | 156 | -60.3 | -177.4 | -176.5 | -175.4 | 0 | 118.1 | D78 | K76-D78 VanDerWaalsContact C-N 3.3Å; K76-D78 PolarHBondContact O-N 2.89Å |
| 77 | Y | 42.5 | Very low | 41.9 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -82.1 | 87.8 | 136.2 | -72.9 | -77.7 | 0 | 0 | 0 | 108.3 | L79 | Y77-L79 PolarHBondContact O-N 2.97Š|
| 78 | D | 44.6 | Very low | 41.7 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 56% | 0.561 | 80% | 0.804 | S | S | * | * | | | trans | -88.8 | 92.8 | 167.5 | -169.4 | -1.2 | 0 | 0 | 0 | 108 | K76 S80 | K76-D78 VanDerWaalsContact C-N 3.3Å; K76-D78 PolarHBondContact O-N 2.89Å; D78-S80 PolarHBondContact O-N 3.24Å; D78-S80 WeakPolarHBondContact OD1-CB 3.41Å; D78-S80 PolarHBondContact OD1-N 3.44Å |
| 79 | L | 53 | Low | 42.2 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | trans | -79.3 | 12.5 | 177.3 | -75.4 | 164.1 | 0 | 0 | 0 | 112.6 | Y77 K81 | Y77-L79 PolarHBondContact O-N 2.97Å; L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 3.48Å |
| 80 | S | 47.4 | Very low | 42.7 | Very low | 101 Ų | 101 | 150 Ų | 150 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 5.7 | -175.5 | -162.6 | 0 | 0 | 0 | 0 | 115.2 | D78 | D78-S80 PolarHBondContact O-N 3.24Å; D78-S80 WeakPolarHBondContact OD1-CB 3.41Å; D78-S80 PolarHBondContact OD1-N 3.44Å |
| 81 | K | 48.2 | Very low | 43 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 22.6 | -171.1 | -80.2 | -169 | 178.4 | 179.9 | 0 | 117.5 | L79 | L79-K81 VanDerWaalsContact C-N 3.33Å; L79-K81 PolarHBondContact O-N 3.48Å |
| 82 | K | 45.7 | Very low | 43.3 | Very low | 199 Ų | 199 | 156.3 Ų | 156.3 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -109.6 | 42.4 | 174.1 | -141.3 | 175.6 | -175.1 | 175.3 | 0 | 114.3 | | |
| 83 | N | 44.5 | Very low | 43.6 | Very low | 160 Ų | 160 | 158.7 Ų | 158.7 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | | | trans | -134.1 | 93.5 | 163.4 | -75 | -8.3 | 0 | 0 | 0 | 108.5 | | |
| 84 | K | 43.2 | Very low | 43.8 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -167.4 | 139.7 | 158 | -130 | 178.3 | -177.5 | -167.5 | 0 | 110.3 | | |
| 85 | F | 41.9 | Very low | 44.4 | Very low | 198 Ų | 198 | 155.8 Ų | 155.8 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | 91.9 | 83.8 | -161.8 | -65.7 | -69.9 | 0 | 0 | 0 | 110.7 | | |
| 86 | E | 39.8 | Very low | 44.9 | Very low | 183 Ų | 183 | 157.1 Ų | 157.1 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | cis | 49.5 | 78.7 | 16.6 | -146.9 | 172.3 | -177.3 | 0 | 0 | 117 | | |
| 87 | S | 46.1 | Very low | 45.3 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 168.7 | 103 | 143.7 | 48.5 | 0 | 0 | 0 | 0 | 105 | | |
| 88 | E | 39.5 | Very low | 45.2 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | | 171.4 | 135.8 | 76.1 | -175.8 | 174.9 | 135.6 | 0 | 0 | 108.6 | | |
| 89 | P | 50.3 | Low | 45.1 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -118.1 | 172.5 | 159.4 | 39 | -27.6 | 0 | 0 | 0 | 110.4 | | |
| 90 | P | 47 | Very low | 44.5 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | cis | -137.5 | -165.5 | 17.5 | 38.1 | -15.6 | 0 | 0 | 0 | 114 | | |
| 91 | D | 43.6 | Very low | 44.4 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | 97.3 | 89.7 | 172.4 | -66.1 | -17.8 | 0 | 0 | 0 | 117.8 | | |
| 92 | R | 42.6 | Very low | 44.1 | Very low | 236 Ų | 236 | 146.3 Ų | 146.3 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | | | | 176.8 | 129.8 | 115 | -102.2 | 176.7 | 169.3 | 169.7 | -2.2 | 114.7 | | |
| 93 | D | 42.2 | Very low | 44.1 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | | | trans | 61.3 | 116.7 | 148.9 | -73.5 | -39.8 | 0 | 0 | 0 | 122.7 | T95 | D93-T95 PolarHBondContact O-N 3.09Š|
| 94 | P | 43.1 | Very low | 44.2 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -95.5 | 76.3 | 173.4 | 38.4 | -29.9 | 0 | 0 | 0 | 111.1 | | |
| 95 | T | 46.8 | Very low | 44 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -147.9 | 71.8 | 166.7 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | D93 | D93-T95 PolarHBondContact O-N 3.09Š|
| 96 | T | 50.3 | Low | 44.1 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -150.1 | 116.4 | 161.1 | -42.4 | 0 | 0 | 0 | 0 | 108.8 | A98 | T96-A98 PolarHBondContact O-N 3.18Š|
| 97 | P | 48.4 | Very low | 44.4 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -65.5 | 125.8 | 177.3 | 26 | -30.4 | 0 | 0 | 0 | 109.3 | N99 | P97-N99 PolarHBondContact O-N 3.41Š|
| 98 | A | 42.1 | Very low | 44.5 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -47.6 | 121 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T96 | T96-A98 PolarHBondContact O-N 3.18Š|
| 99 | N | 42 | Very low | 44.6 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -163.2 | 31.7 | 148.5 | -89.1 | -30 | 0 | 0 | 0 | 111.9 | P97 A101 | P97-N99 PolarHBondContact O-N 3.41Å; N99-A101 VanDerWaalsContact C-N 3.27Å; N99-A101 PolarHBondContact O-N 3.06Å |
| 100 | A | 40.8 | Very low | 44.6 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -93.8 | 36 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E102 | A100-E102 PolarHBondContact O-N 3.49Å; A100-E102 VanDerWaalsContact O-N 3.08Å |
| 101 | A | 44.6 | Very low | 44.6 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | | | trans | -84.6 | 77.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | N99 K103 | N99-A101 VanDerWaalsContact C-N 3.27Å; N99-A101 PolarHBondContact O-N 3.06Å; A101-K103 PolarHBondContact O-N 2.89Å |
| 102 | E | 42.7 | Very low | 45.3 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 76% | 0.756 | S | S | * | * | | | trans | -50.7 | 82.4 | 166.5 | -164.5 | 175.1 | -169.9 | 0 | 0 | 109.9 | A100 N104 | A100-E102 PolarHBondContact O-N 3.49Å; A100-E102 VanDerWaalsContact O-N 3.08Å; E102-N104 PolarHBondContact O-N 3.01Å |
| 103 | K | 45.2 | Very low | 46.2 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | | | trans | -68.3 | 89.1 | 170.2 | -107.9 | 179.8 | 178.3 | 174.1 | 0 | 107.3 | A101 Q105 | A101-K103 PolarHBondContact O-N 2.89Å; K103-Q105 PolarHBondContact O-N 3.43Å |
| 104 | N | 45.6 | Very low | 47.6 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | | | trans | -62.2 | 67.6 | 163.3 | -78.3 | -59.8 | 0 | 0 | 0 | 110.3 | E102 R106 | E102-N104 PolarHBondContact O-N 3.01Å; N104-R106 VanDerWaalsContact C-N 3.31Å; N104-R106 PolarHBondContact O-N 2.67Å; N104-R106 VanDerWaalsContact O-N 3.08Å |
| 105 | Q | 39.9 | Very low | 49.1 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | | | trans | -75.6 | 88.7 | 164.4 | -99.6 | 176.2 | -24.6 | 0 | 0 | 107.3 | K103 T107 | K103-Q105 PolarHBondContact O-N 3.43Å; Q105-T107 VanDerWaalsContact C-N 3.25Å; Q105-T107 PolarHBondContact O-N 3.34Å |
| 106 | R | 43.3 | Very low | 50.5 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | | | trans | -66.5 | 94.2 | 159.1 | -79.3 | -174.3 | -174.7 | 176 | 2.6 | 107.6 | N104 Y108 | N104-R106 VanDerWaalsContact C-N 3.31Å; N104-R106 PolarHBondContact O-N 2.67Å; N104-R106 VanDerWaalsContact O-N 3.08Å; R106-Y108 VanDerWaalsContact C-N 3.32Å; R106-Y108 HydrophobicContact CB-CD2 4.38Å; R106-Y108 HydrophobicContact CB-CE2 3.96Å; R106-Y108 WeakPolarHBondContact O-CD2 3.24Å; R106-Y108 PolarHBondContact O-N 3.11Å |
| 107 | T | 47.5 | Very low | 51.8 | Low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | | | trans | -66.2 | 95.5 | 164.9 | -34.6 | 0 | 0 | 0 | 0 | 106.8 | Q105 S109 | Q105-T107 VanDerWaalsContact C-N 3.25Å; Q105-T107 PolarHBondContact O-N 3.34Å; T107-S109 VanDerWaalsContact C-N 3.32Å; T107-S109 PolarHBondContact O-N 3.38Å |
| 108 | Y | 46.3 | Very low | 53.3 | Low | 174 Ų | 174 | 129.4 Ų | 129.4 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | trans | -70 | 96.5 | 167 | -68.1 | -81.6 | 0 | 0 | 0 | 106.9 | R106 I110 | R106-Y108 VanDerWaalsContact C-N 3.32Å; R106-Y108 HydrophobicContact CB-CD2 4.38Å; R106-Y108 HydrophobicContact CB-CE2 3.96Å; R106-Y108 WeakPolarHBondContact O-CD2 3.24Å; R106-Y108 PolarHBondContact O-N 3.11Å; Y108-I110 PolarHBondContact O-N 3.24Å |
| 109 | S | 43.4 | Very low | 54.9 | Low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | | | trans | -67.9 | 89.6 | 163.1 | 59.5 | 0 | 0 | 0 | 0 | 107.1 | T107 Q111 | T107-S109 VanDerWaalsContact C-N 3.32Å; T107-S109 PolarHBondContact O-N 3.38Å; S109-Q111 PolarHBondContact O-N 2.79Å |
| 110 | I | 49.5 | Very low | 56.6 | Low | 150 Ų | 150 | 125.4 Ų | 125.4 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | | | trans | -68.3 | 86.4 | 160.4 | -58.2 | 171 | 0 | 0 | 0 | 104 | Y108 P112 | Y108-I110 PolarHBondContact O-N 3.24Å; I110-P112 WeakPolarHBondContact O-CD 3.3Å |
| 111 | Q | 47.9 | Very low | 58.6 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | | | trans | -70.2 | 106.3 | 166.8 | -154.5 | 170.1 | 18.5 | 0 | 0 | 103.5 | S109 N113 | S109-Q111 PolarHBondContact O-N 2.79Å; Q111-N113 PolarHBondContact O-N 2.95Å |
| 112 | P | 57.2 | Low | 60.4 | Low | 80 Ų | 80 | 125.3 Ų | 125.3 | 52% | 0.519 | 64% | 0.638 | S | S | . | * | | | trans | -59.4 | 114.6 | 173.3 | 26.5 | -31.3 | 0 | 0 | 0 | 104.2 | I110 L114 L117 | I110-P112 WeakPolarHBondContact O-CD 3.3Å; P112-L114 PolarHBondContact O-N 3.36Å; P112-L117 HydrophobicContact CB-CD1 4.28Å |
| 113 | N | 62.4 | Low | 62.1 | Low | 121 Ų | 121 | 122.4 Ų | 122.4 | 65% | 0.647 | 63% | 0.626 | S | S | * | * | | | trans | -64 | 86.7 | 171.1 | -95.1 | -23.2 | 0 | 0 | 0 | 105.4 | Q111 F115 G116 L117 | Q111-N113 PolarHBondContact O-N 2.95Å; N113-F115 PolarHBondContact O-N 3.07Å; N113-F115 VanDerWaalsContact O-N 3.1Å; N113-G116 WeakPolarHBondContact O-CA 3.49Å; N113-G116 PolarHBondContact O-N 2.94Å; N113-L117 PolarHBondContact O-N 3.33Å |
| 114 | L | 70.9 | Confident | 63.4 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 71% | 0.712 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -54.4 | -34 | -177 | -153 | 116.7 | 0 | 0 | 0 | 109.3 | P112 L117 L118 | P112-L114 PolarHBondContact O-N 3.36Å; L114-L117 PolarHBondContact O-N 2.77Å; L114-L118 VanDerWaalsContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 PolarHBondContact O-N 2.89Å |
| 115 | F | 74.8 | Confident | 64.9 | Low | 142 Ų | 142 | 116.2 Ų | 116.2 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.1 | -38.2 | 172.7 | -165.6 | -105.2 | 0 | 0 | 0 | 114.1 | N113 K119 | N113-F115 PolarHBondContact O-N 3.07Å; N113-F115 VanDerWaalsContact O-N 3.1Å; F115-K119 HydrophobicContact CD1-CD 4.42Å; F115-K119 HydrophobicContact CE1-CD 4.02Å; F115-K119 WeakPolarHBondContact O-CG 3.47Å; F115-K119 PolarHBondContact O-N 3.47Å |
| 116 | G | 76.3 | Confident | 66.6 | Low | 39 Ų | 39 | 114 Ų | 114 | 40% | 0.402 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.3 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | N113 K119 A120 | N113-G116 WeakPolarHBondContact O-CA 3.49Å; N113-G116 PolarHBondContact O-N 2.94Å; G116-K119 PolarHBondContact O-N 3.39Å; G116-A120 WeakPolarHBondContact O-CB 3.37Å; G116-A120 PolarHBondContact O-N 2.96Å |
| 117 | L | 76.3 | Confident | 67.7 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.3 | -42.5 | 173.7 | -76.5 | 169.3 | 0 | 0 | 0 | 111.5 | P112 N113 L114 K119 A120 L121 | P112-L117 HydrophobicContact CB-CD1 4.28Å; N113-L117 PolarHBondContact O-N 3.33Å; L114-L117 PolarHBondContact O-N 2.77Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.42Å; L117-A120 PolarHBondContact O-N 2.9Å; L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 PolarHBondContact O-N 2.92Å |
| 118 | L | 79.9 | Confident | 68.4 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.4 | -41.7 | 176.9 | -165.2 | 77.4 | 0 | 0 | 0 | 111.7 | L114 L121 L122 | L114-L118 VanDerWaalsContact O-CB 3.31Å; L114-L118 WeakPolarHBondContact O-CB 3.4Å; L114-L118 PolarHBondContact O-N 2.89Å; L118-L121 PolarHBondContact O-N 3.26Å; L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.36Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.43Å |
| 119 | K | 76.8 | Confident | 69.3 | Low | 114 Ų | 114 | 102.8 Ų | 102.8 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 175 | -80.6 | -169.8 | 169.9 | -172.3 | 0 | 112.6 | F115 G116 L117 L121 L122 I123 | F115-K119 HydrophobicContact CD1-CD 4.42Å; F115-K119 HydrophobicContact CE1-CD 4.02Å; F115-K119 WeakPolarHBondContact O-CG 3.47Å; F115-K119 PolarHBondContact O-N 3.47Å; G116-K119 PolarHBondContact O-N 3.39Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-K119 PolarHBondContact O-N 3.42Å; K119-L121 VanDerWaalsContact C-N 3.26Å; K119-L121 PolarHBondContact O-N 3.33Å; K119-L122 PolarHBondContact O-N 3.47Å; K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.31Å; K119-I123 PolarHBondContact O-N 2.92Å |
| 120 | A | 78.3 | Confident | 70.4 | Confident | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G116 L117 I123 A124 | G116-A120 WeakPolarHBondContact O-CB 3.37Å; G116-A120 PolarHBondContact O-N 2.96Å; L117-A120 PolarHBondContact O-N 2.9Å; A120-I123 PolarHBondContact O-N 3Å; A120-A124 WeakPolarHBondContact O-CB 3.36Å; A120-A124 PolarHBondContact O-N 3.08Å |
| 121 | L | 81.7 | Confident | 71 | Confident | 97 Ų | 97 | 100.9 Ų | 100.9 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 176 | -168.6 | 70.9 | 0 | 0 | 0 | 111.9 | L117 L118 K119 A124 W125 | L117-L121 WeakPolarHBondContact O-CB 3.46Å; L117-L121 PolarHBondContact O-N 2.92Å; L118-L121 PolarHBondContact O-N 3.26Å; K119-L121 VanDerWaalsContact C-N 3.26Å; K119-L121 PolarHBondContact O-N 3.33Å; L121-A124 PolarHBondContact O-N 2.92Å; L121-W125 VanDerWaalsContact O-CB 3.29Å; L121-W125 WeakPolarHBondContact O-CB 3.33Å; L121-W125 PolarHBondContact O-N 3.28Å |
| 122 | L | 82.2 | Confident | 71.6 | Confident | 95 Ų | 95 | 103.1 Ų | 103.1 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.5 | -78.2 | 159.7 | 0 | 0 | 0 | 112 | L118 K119 W125 D126 | L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.36Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.43Å; K119-L122 PolarHBondContact O-N 3.47Å; L122-W125 WeakPolarHBondContact O-CB 3.42Å; L122-W125 PolarHBondContact O-N 2.9Å; L122-D126 PolarHBondContact O-N 2.96Å |
| 123 | I | 79.3 | Confident | 71.7 | Confident | 100 Ų | 100 | 108.1 Ų | 108.1 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 178.1 | -66.2 | 162.2 | 0 | 0 | 0 | 111 | K119 A120 W125 D126 H127 | K119-I123 VanDerWaalsContact O-CG1 3.3Å; K119-I123 WeakPolarHBondContact O-CG1 3.31Å; K119-I123 PolarHBondContact O-N 2.92Å; A120-I123 PolarHBondContact O-N 3Å; I123-W125 VanDerWaalsContact C-N 3.29Å; I123-W125 PolarHBondContact O-N 2.88Å; I123-D126 PolarHBondContact O-N 2.66Å; I123-H127 PolarHBondContact O-N 2.86Å; I123-H127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 72.8 | Confident | 71.5 | Confident | 60 Ų | 60 | 103.7 Ų | 103.7 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A120 L121 H127 L128 | A120-A124 WeakPolarHBondContact O-CB 3.36Å; A120-A124 PolarHBondContact O-N 3.08Å; L121-A124 PolarHBondContact O-N 2.92Å; A124-H127 PolarHBondContact O-N 3.26Å; A124-L128 WeakPolarHBondContact O-CB 3.33Å; A124-L128 PolarHBondContact O-N 2.87Å |
| 125 | W | 77.1 | Confident | 71.1 | Confident | 125 Ų | 125 | 100.5 Ų | 100.5 | 47% | 0.473 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 175.3 | -175 | -91.8 | 0 | 0 | 0 | 112.3 | L121 L122 I123 H127 L128 M129 | L121-W125 VanDerWaalsContact O-CB 3.29Å; L121-W125 WeakPolarHBondContact O-CB 3.33Å; L121-W125 PolarHBondContact O-N 3.28Å; L122-W125 WeakPolarHBondContact O-CB 3.42Å; L122-W125 PolarHBondContact O-N 2.9Å; I123-W125 VanDerWaalsContact C-N 3.29Å; I123-W125 PolarHBondContact O-N 2.88Å; W125-H127 VanDerWaalsContact C-N 3.33Å; W125-H127 PolarHBondContact O-N 3.39Å; W125-L128 WeakPolarHBondContact O-CB 3.29Å; W125-L128 PolarHBondContact O-N 3.1Å; W125-M129 HydrophobicContact CD2-CE 4.48Å; W125-M129 HydrophobicContact CH2-CE 3.92Å; W125-M129 HydrophobicContact CZ2-CE 3.4Å; W125-M129 PolarHBondContact O-N 3.5Å |
| 126 | D | 74.6 | Confident | 70.7 | Confident | 109 Ų | 109 | 99 Ų | 99 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 177.2 | -74.7 | -15.5 | 0 | 0 | 0 | 111.3 | L122 I123 L128 M129 | L122-D126 PolarHBondContact O-N 2.96Å; I123-D126 PolarHBondContact O-N 2.66Å; D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 PolarHBondContact O-N 3.05Å; D126-M129 PolarHBondContact O-N 3.44Å |
| 127 | H | 65.9 | Low | 70.4 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.7 | -25.9 | 173.4 | -87.1 | -60.5 | 0 | 0 | 0 | 113.8 | I123 A124 W125 M129 Q134 | I123-H127 PolarHBondContact O-N 2.86Å; I123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.26Å; W125-H127 VanDerWaalsContact C-N 3.33Å; W125-H127 PolarHBondContact O-N 3.39Å; H127-M129 VanDerWaalsContact C-N 3.33Å; H127-Q134 PolarHBondContact O-NE2 2.85Å |
| 128 | L | 62.9 | Low | 70.4 | Confident | 24 Ų | 24 | 97.2 Ų | 97.2 | 13% | 0.126 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -81.3 | -10.2 | 177.3 | -165.1 | 69.8 | 0 | 0 | 0 | 113.4 | A124 W125 D126 Q134 L137 C138 L141 | A124-L128 WeakPolarHBondContact O-CB 3.33Å; A124-L128 PolarHBondContact O-N 2.87Å; W125-L128 WeakPolarHBondContact O-CB 3.29Å; W125-L128 PolarHBondContact O-N 3.1Å; D126-L128 VanDerWaalsContact C-N 3.28Å; D126-L128 PolarHBondContact O-N 3.05Å; L128-Q134 HydrophobicContact CD1-CG 4.21Å; L128-Q134 WeakPolarHBondContact O-CB 3.39Å; L128-Q134 PolarHBondContact O-OE1 3.45Å; L128-L137 HydrophobicContact CD1-CB 4.26Å; L128-C138 VanDerWaalsContact CD2-SG 3.58Å; L128-L141 HydrophobicContact CD2-CD1 4.3Å |
| 129 | M | 66.3 | Low | 70.2 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -99.5 | -9.3 | 175.9 | -70.9 | -66.2 | 161.3 | 0 | 0 | 113.2 | W125 D126 H127 C138 | W125-M129 HydrophobicContact CD2-CE 4.48Å; W125-M129 HydrophobicContact CH2-CE 3.92Å; W125-M129 HydrophobicContact CZ2-CE 3.4Å; W125-M129 PolarHBondContact O-N 3.5Å; D126-M129 PolarHBondContact O-N 3.44Å; H127-M129 VanDerWaalsContact C-N 3.33Å; M129-C138 VanDerWaalsContact CE-SG 3.6Å |
| 130 | A | 64.7 | Low | 70.5 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -82.1 | -19.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 131 | H | 63.5 | Low | 70.7 | Confident | 139 Ų | 139 | 97.6 Ų | 97.6 | 64% | 0.644 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -107 | 114.4 | 176 | -84.3 | -85.8 | 0 | 0 | 0 | 111.1 | Q133 Q134 | H131-Q133 PolarHBondContact O-N 2.89Å; H131-Q134 VanDerWaalsContact CA-OE1 3.32Å; H131-Q134 HydrophobicContact CB-CG 4.02Å; H131-Q134 VanDerWaalsContact CB-OE1 3.27Å; H131-Q134 VanDerWaalsContact O-CB 3.24Å; H131-Q134 WeakPolarHBondContact O-CB 3.13Å; H131-Q134 WeakPolarHBondContact O-CG 3.45Å; H131-Q134 PolarHBondContact O-N 2.84Å; H131-Q134 PolarHBondContact O-OE1 3.48Å; H131-Q134 VanDerWaalsContact O-OE1 3.09Å |
| 132 | Q | 58.9 | Low | 70.9 | Confident | 205 Ų | 205 | 95.8 Ų | 95.8 | 96% | 0.958 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 0.3 | -178 | -72.4 | -143.7 | -29.6 | 0 | 0 | 116.7 | | |
| 133 | Q | 60.2 | Low | 71 | Confident | 184 Ų | 184 | 93.7 Ų | 93.7 | 86% | 0.86 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 2.5 | 170.5 | -69.5 | -174.4 | -26.2 | 0 | 0 | 113.7 | H131 A135 | H131-Q133 PolarHBondContact O-N 2.89Å; Q133-A135 PolarHBondContact O-N 3.29Å |
| 134 | Q | 58 | Low | 71.5 | Confident | 29 Ų | 29 | 90.7 Ų | 90.7 | 14% | 0.136 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 3.4 | -171 | -79.5 | 164.8 | -40.1 | 0 | 0 | 115.9 | H127 L128 H131 V136 L137 C138 | H127-Q134 PolarHBondContact O-NE2 2.85Å; L128-Q134 HydrophobicContact CD1-CG 4.21Å; L128-Q134 WeakPolarHBondContact O-CB 3.39Å; L128-Q134 PolarHBondContact O-OE1 3.45Å; H131-Q134 VanDerWaalsContact CA-OE1 3.32Å; H131-Q134 HydrophobicContact CB-CG 4.02Å; H131-Q134 VanDerWaalsContact CB-OE1 3.27Å; H131-Q134 VanDerWaalsContact O-CB 3.24Å; H131-Q134 WeakPolarHBondContact O-CB 3.13Å; H131-Q134 WeakPolarHBondContact O-CG 3.45Å; H131-Q134 PolarHBondContact O-N 2.84Å; H131-Q134 PolarHBondContact O-OE1 3.48Å; H131-Q134 VanDerWaalsContact O-OE1 3.09Å; Q134-V136 VanDerWaalsContact C-N 3.26Å; Q134-V136 PolarHBondContact O-N 2.91Å; Q134-L137 HydrophobicContact CG-CD1 4.11Å; Q134-L137 PolarHBondContact O-N 3.49Å; Q134-L137 VanDerWaalsContact O-N 3.11Å; Q134-C138 WeakPolarHBondContact O-CB 3.2Å; Q134-C138 PolarHBondContact O-N 3.23Å; Q134-C138 PolarHBondContact O-SG 2.94Å; Q134-C138 VanDerWaalsContact O-SG 3.34Å |
| 135 | A | 61.9 | Low | 72.3 | Confident | 69 Ų | 69 | 91.5 Ų | 91.5 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.8 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q133 L139 | Q133-A135 PolarHBondContact O-N 3.29Å; A135-L139 WeakPolarHBondContact O-CB 3.27Å; A135-L139 VanDerWaalsContact O-CG 3.26Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 3.4Å |
| 136 | V | 67.2 | Low | 72.9 | Confident | 110 Ų | 110 | 88.1 Ų | 88.1 | 67% | 0.667 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.7 | -38.4 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | Q134 L139 S140 | Q134-V136 VanDerWaalsContact C-N 3.26Å; Q134-V136 PolarHBondContact O-N 2.91Å; V136-L139 PolarHBondContact O-N 2.9Å; V136-S140 WeakPolarHBondContact O-CB 3.26Å; V136-S140 PolarHBondContact O-N 3.48Å; V136-S140 PolarHBondContact O-OG 3.39Å |
| 137 | L | 70.7 | Confident | 73.6 | Confident | 96 Ų | 96 | 88.7 Ų | 88.7 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -37.5 | 177 | -72.9 | 168.8 | 0 | 0 | 0 | 111.9 | L128 Q134 S140 L141 | L128-L137 HydrophobicContact CD1-CB 4.26Å; Q134-L137 HydrophobicContact CG-CD1 4.11Å; Q134-L137 PolarHBondContact O-N 3.49Å; Q134-L137 VanDerWaalsContact O-N 3.11Å; L137-S140 PolarHBondContact O-OG 2.88Å; L137-S140 VanDerWaalsContact O-OG 3.08Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 3.46Å |
| 138 | C | 74.8 | Confident | 74.8 | Confident | 19 Ų | 19 | 87.5 Ų | 87.5 | 13% | 0.128 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 173.5 | -72.8 | 0 | 0 | 0 | 0 | 111.4 | L128 M129 Q134 S142 | L128-C138 VanDerWaalsContact CD2-SG 3.58Å; M129-C138 VanDerWaalsContact CE-SG 3.6Å; Q134-C138 WeakPolarHBondContact O-CB 3.2Å; Q134-C138 PolarHBondContact O-N 3.23Å; Q134-C138 PolarHBondContact O-SG 2.94Å; Q134-C138 VanDerWaalsContact O-SG 3.34Å; C138-S142 WeakPolarHBondContact O-CB 3.28Å; C138-S142 PolarHBondContact O-N 2.94Å; C138-S142 PolarHBondContact O-OG 3.05Å |
| 139 | L | 76.2 | Confident | 76.2 | Confident | 120 Ų | 120 | 90.6 Ų | 90.6 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -45.3 | 176.7 | -72.9 | 172.3 | 0 | 0 | 0 | 111.3 | A135 V136 S142 A143 | A135-L139 WeakPolarHBondContact O-CB 3.27Å; A135-L139 VanDerWaalsContact O-CG 3.26Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 3.4Å; V136-L139 PolarHBondContact O-N 2.9Å; L139-S142 PolarHBondContact O-N 3.36Å; L139-S142 PolarHBondContact O-OG 2.9Å; L139-A143 VanDerWaalsContact O-CB 3.24Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.39Å |
| 140 | S | 83.7 | Confident | 77.4 | Confident | 68 Ų | 68 | 90.3 Ų | 90.3 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 178.7 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | V136 L137 A143 G144 | V136-S140 WeakPolarHBondContact O-CB 3.26Å; V136-S140 PolarHBondContact O-N 3.48Å; V136-S140 PolarHBondContact O-OG 3.39Å; L137-S140 PolarHBondContact O-OG 2.88Å; L137-S140 VanDerWaalsContact O-OG 3.08Å; S140-A143 PolarHBondContact O-N 2.82Å; S140-G144 PolarHBondContact O-N 3.42Å |
| 141 | L | 82.1 | Confident | 78.6 | Confident | 87 Ų | 87 | 91 Ų | 91 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.6 | -38.3 | 179.7 | -159.3 | 147.8 | 0 | 0 | 0 | 111.2 | L128 L137 G144 L145 | L128-L141 HydrophobicContact CD2-CD1 4.3Å; L137-L141 WeakPolarHBondContact O-CB 3.45Å; L137-L141 PolarHBondContact O-N 3.46Å; L141-G144 PolarHBondContact O-N 3.3Å; L141-L145 VanDerWaalsContact O-CB 3.27Å; L141-L145 WeakPolarHBondContact O-CB 3.24Å; L141-L145 PolarHBondContact O-N 3.37Å |
| 142 | S | 85.7 | Confident | 79.9 | Confident | 58 Ų | 58 | 87.7 Ų | 87.7 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 173.5 | 68 | 0 | 0 | 0 | 0 | 112.3 | C138 L139 L145 A146 | C138-S142 WeakPolarHBondContact O-CB 3.28Å; C138-S142 PolarHBondContact O-N 2.94Å; C138-S142 PolarHBondContact O-OG 3.05Å; L139-S142 PolarHBondContact O-N 3.36Å; L139-S142 PolarHBondContact O-OG 2.9Å; S142-L145 PolarHBondContact O-N 3.37Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 3.49Å |
| 143 | A | 85.1 | Confident | 81.3 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L139 S140 A146 L147 | L139-A143 VanDerWaalsContact O-CB 3.24Å; L139-A143 WeakPolarHBondContact O-CB 3.48Å; L139-A143 PolarHBondContact O-N 3.39Å; S140-A143 PolarHBondContact O-N 2.82Å; A143-A146 PolarHBondContact O-N 2.81Å; A143-L147 WeakPolarHBondContact O-CB 3.4Å; A143-L147 WeakPolarHBondContact O-CG 3.48Å; A143-L147 PolarHBondContact O-N 2.89Å |
| 144 | G | 89.3 | Confident | 82.6 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 39% | 0.392 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S140 L141 L147 L148 | S140-G144 PolarHBondContact O-N 3.42Å; L141-G144 PolarHBondContact O-N 3.3Å; G144-L147 PolarHBondContact O-N 3.35Å; G144-L148 VanDerWaalsContact O-CB 3.28Å; G144-L148 WeakPolarHBondContact O-CB 3.06Å; G144-L148 PolarHBondContact O-N 3.21Å |
| 145 | L | 89.3 | Confident | 84 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 40% | 0.403 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 177.8 | -167 | 145 | 0 | 0 | 0 | 111.7 | L141 S142 L148 L149 | L141-L145 VanDerWaalsContact O-CB 3.27Å; L141-L145 WeakPolarHBondContact O-CB 3.24Å; L141-L145 PolarHBondContact O-N 3.37Å; S142-L145 PolarHBondContact O-N 3.37Å; L145-L148 PolarHBondContact O-N 2.8Å; L145-L149 HydrophobicContact CD2-CD1 3.7Å; L145-L149 HydrophobicContact CD2-CG 4.17Å; L145-L149 WeakPolarHBondContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.5Å; L145-L149 PolarHBondContact O-N 3.28Å |
| 146 | A | 89.2 | Confident | 85 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S142 A143 L148 L149 V150 | S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 3.49Å; A143-A146 PolarHBondContact O-N 2.81Å; A146-L148 VanDerWaalsContact C-N 3.35Å; A146-L148 PolarHBondContact O-N 2.77Å; A146-L149 PolarHBondContact O-N 2.99Å; A146-V150 WeakPolarHBondContact O-CG2 3.35Å; A146-V150 PolarHBondContact O-N 3.35Å |
| 147 | L | 90.2 | Very high | 85.5 | Confident | 121 Ų | 121 | 79.8 Ų | 79.8 | 63% | 0.634 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 175 | -75.5 | 174.9 | 0 | 0 | 0 | 111.7 | A143 G144 L149 V150 V151 | A143-L147 WeakPolarHBondContact O-CB 3.4Å; A143-L147 WeakPolarHBondContact O-CG 3.48Å; A143-L147 PolarHBondContact O-N 2.89Å; G144-L147 PolarHBondContact O-N 3.35Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 2.99Å; L147-V150 PolarHBondContact O-N 2.89Å; L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 2.95Å |
| 148 | L | 92 | Very high | 85.7 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 58% | 0.581 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 177.3 | -172.3 | 141.3 | 0 | 0 | 0 | 111.5 | G144 L145 A146 V151 V152 | G144-L148 VanDerWaalsContact O-CB 3.28Å; G144-L148 WeakPolarHBondContact O-CB 3.06Å; G144-L148 PolarHBondContact O-N 3.21Å; L145-L148 PolarHBondContact O-N 2.8Å; A146-L148 VanDerWaalsContact C-N 3.35Å; A146-L148 PolarHBondContact O-N 2.77Å; L148-V151 PolarHBondContact O-N 3.28Å; L148-V152 HydrophobicContact CD2-CG2 4.19Å; L148-V152 WeakPolarHBondContact O-CB 3.24Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.25Å; L148-V152 PolarHBondContact O-N 3.47Å |
| 149 | L | 91.6 | Very high | 85.1 | Confident | 90 Ų | 90 | 83.9 Ų | 83.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.2 | -75.7 | 176.8 | 0 | 0 | 0 | 112.2 | L145 A146 L147 V151 V152 L153 | L145-L149 HydrophobicContact CD2-CD1 3.7Å; L145-L149 HydrophobicContact CD2-CG 4.17Å; L145-L149 WeakPolarHBondContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.5Å; L145-L149 PolarHBondContact O-N 3.28Å; A146-L149 PolarHBondContact O-N 2.99Å; L147-L149 VanDerWaalsContact C-N 3.34Å; L147-L149 PolarHBondContact O-N 2.99Å; L149-V151 VanDerWaalsContact C-N 3.35Å; L149-V152 PolarHBondContact O-N 3.22Å; L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 VanDerWaalsContact O-CG 3.24Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.4Å |
| 150 | V | 90.9 | Very high | 84 | Confident | 98 Ų | 98 | 87 Ų | 87 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | A146 L147 L153 G154 | A146-V150 WeakPolarHBondContact O-CG2 3.35Å; A146-V150 PolarHBondContact O-N 3.35Å; L147-V150 PolarHBondContact O-N 2.89Å; V150-L153 PolarHBondContact O-N 2.83Å; V150-G154 PolarHBondContact O-N 2.78Å |
| 151 | V | 91 | Very high | 82.4 | Confident | 89 Ų | 89 | 88.1 Ų | 88.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L147 L148 L149 G154 I155 | L147-V151 WeakPolarHBondContact O-CG2 3.33Å; L147-V151 PolarHBondContact O-N 2.95Å; L148-V151 PolarHBondContact O-N 3.28Å; L149-V151 VanDerWaalsContact C-N 3.35Å; V151-G154 PolarHBondContact O-N 3.32Å; V151-I155 HydrophobicContact CG1-CD1 3.8Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.25Å; V151-I155 WeakPolarHBondContact O-CG1 3.48Å; V151-I155 PolarHBondContact O-N 3.21Å |
| 152 | V | 91 | Very high | 80.7 | Confident | 69 Ų | 69 | 91.5 Ų | 91.5 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | L148 L149 G154 I155 V156 | L148-V152 HydrophobicContact CD2-CG2 4.19Å; L148-V152 WeakPolarHBondContact O-CB 3.24Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.25Å; L148-V152 PolarHBondContact O-N 3.47Å; L149-V152 PolarHBondContact O-N 3.22Å; V152-G154 VanDerWaalsContact C-N 3.33Å; V152-I155 PolarHBondContact O-N 2.69Å; V152-V156 HydrophobicContact CG1-CG2 4.38Å; V152-V156 WeakPolarHBondContact O-CB 3.34Å; V152-V156 WeakPolarHBondContact O-CG2 3.25Å; V152-V156 PolarHBondContact O-N 3.23Å |
| 153 | L | 88.2 | Confident | 78.8 | Confident | 99 Ų | 99 | 92.7 Ų | 92.7 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 175.9 | -72.1 | 174.2 | 0 | 0 | 0 | 111.7 | L149 V150 V156 Q157 | L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 VanDerWaalsContact O-CG 3.24Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.4Å; V150-L153 PolarHBondContact O-N 2.83Å; L153-V156 PolarHBondContact O-N 2.75Å; L153-Q157 WeakPolarHBondContact O-CB 3.36Å; L153-Q157 VanDerWaalsContact O-CG 3.25Å; L153-Q157 WeakPolarHBondContact O-CG 3.05Å; L153-Q157 PolarHBondContact O-N 3.28Å |
| 154 | G | 87 | Confident | 76.8 | Confident | 28 Ų | 28 | 95.4 Ų | 95.4 | 29% | 0.289 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V150 V151 V152 V156 Q157 S158 | V150-G154 PolarHBondContact O-N 2.78Å; V151-G154 PolarHBondContact O-N 3.32Å; V152-G154 VanDerWaalsContact C-N 3.33Å; G154-V156 PolarHBondContact O-N 3.5Å; G154-Q157 CarbonylContact O-C 3.6Å; G154-Q157 PolarHBondContact O-N 2.62Å; G154-S158 WeakPolarHBondContact O-CB 3.45Å; G154-S158 PolarHBondContact O-N 3.08Å; G154-S158 PolarHBondContact O-OG 3.32Å |
| 155 | I | 86.9 | Confident | 74.6 | Confident | 94 Ų | 94 | 103.5 Ų | 103.5 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 174.6 | -65.5 | 164.4 | 0 | 0 | 0 | 110.5 | V151 V152 Q157 S158 C159 | V151-I155 HydrophobicContact CG1-CD1 3.8Å; V151-I155 HydrophobicContact CG1-CG1 4.43Å; V151-I155 VanDerWaalsContact O-CG1 3.25Å; V151-I155 WeakPolarHBondContact O-CG1 3.48Å; V151-I155 PolarHBondContact O-N 3.21Å; V152-I155 PolarHBondContact O-N 2.69Å; I155-Q157 VanDerWaalsContact C-N 3.3Å; I155-Q157 PolarHBondContact O-N 2.85Å; I155-S158 CarbonylContact O-C 3.56Å; I155-S158 PolarHBondContact O-N 2.98Å; I155-C159 WeakPolarHBondContact O-CA 3.22Å; I155-C159 WeakPolarHBondContact O-CB 3.14Å; I155-C159 PolarHBondContact O-N 3.36Å; I155-C159 PolarHBondContact O-SG 3.08Å |
| 156 | V | 82.2 | Confident | 72.2 | Confident | 69 Ų | 69 | 104.9 Ų | 104.9 | 42% | 0.418 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.9 | -36.4 | 177.7 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | V152 L153 G154 C159 R160 | V152-V156 HydrophobicContact CG1-CG2 4.38Å; V152-V156 WeakPolarHBondContact O-CB 3.34Å; V152-V156 WeakPolarHBondContact O-CG2 3.25Å; V152-V156 PolarHBondContact O-N 3.23Å; L153-V156 PolarHBondContact O-N 2.75Å; G154-V156 PolarHBondContact O-N 3.5Å; V156-C159 CarbonylContact O-C 3.56Å; V156-R160 WeakPolarHBondContact O-CB 3.46Å; V156-R160 WeakPolarHBondContact O-CG 3.44Å; V156-R160 PolarHBondContact O-N 2.79Å |
| 157 | Q | 78.7 | Confident | 70 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 66% | 0.659 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71 | -39.7 | 173.9 | -73.5 | 177.8 | 11.7 | 0 | 0 | 111.7 | L153 G154 I155 C159 R160 | L153-Q157 WeakPolarHBondContact O-CB 3.36Å; L153-Q157 VanDerWaalsContact O-CG 3.25Å; L153-Q157 WeakPolarHBondContact O-CG 3.05Å; L153-Q157 PolarHBondContact O-N 3.28Å; G154-Q157 CarbonylContact O-C 3.6Å; G154-Q157 PolarHBondContact O-N 2.62Å; I155-Q157 VanDerWaalsContact C-N 3.3Å; I155-Q157 PolarHBondContact O-N 2.85Å; Q157-C159 VanDerWaalsContact C-N 3.34Å; Q157-R160 PolarHBondContact O-N 3.28Å; Q157-R160 VanDerWaalsContact O-O 3.08Å |
| 158 | S | 74.6 | Confident | 68 | Low | 104 Ų | 104 | 106.8 Ų | 106.8 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -34.2 | 173.5 | -58.6 | 0 | 0 | 0 | 0 | 112.5 | G154 I155 | G154-S158 WeakPolarHBondContact O-CB 3.45Å; G154-S158 PolarHBondContact O-N 3.08Å; G154-S158 PolarHBondContact O-OG 3.32Å; I155-S158 CarbonylContact O-C 3.56Å; I155-S158 PolarHBondContact O-N 2.98Å |
| 159 | C | 61.8 | Low | 66.1 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -85.7 | -8.3 | 176.6 | -68.8 | 0 | 0 | 0 | 0 | 112.7 | I155 V156 Q157 P161 | I155-C159 WeakPolarHBondContact O-CA 3.22Å; I155-C159 WeakPolarHBondContact O-CB 3.14Å; I155-C159 PolarHBondContact O-N 3.36Å; I155-C159 PolarHBondContact O-SG 3.08Å; V156-C159 CarbonylContact O-C 3.56Å; Q157-C159 VanDerWaalsContact C-N 3.34Å; C159-P161 WeakPolarHBondContact O-CD 3.37Å |
| 160 | R | 53.5 | Low | 64.2 | Low | 187 Ų | 187 | 109.4 Ų | 109.4 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -81.3 | 97.8 | 159.7 | -84.5 | -175.7 | 177.1 | 171.6 | 1.6 | 105.4 | V156 Q157 E162 | V156-R160 WeakPolarHBondContact O-CB 3.46Å; V156-R160 WeakPolarHBondContact O-CG 3.44Å; V156-R160 PolarHBondContact O-N 2.79Å; Q157-R160 PolarHBondContact O-N 3.28Å; Q157-R160 VanDerWaalsContact O-O 3.08Å; R160-E162 PolarHBondContact O-N 2.87Å |
| 161 | P | 49.1 | Very low | 62.3 | Low | 90 Ų | 90 | 108.5 Ų | 108.5 | 58% | 0.584 | 60% | 0.596 | S | S | * | * | | | trans | -61.7 | 137.5 | 172.8 | 21.8 | -13.1 | 0 | 0 | 0 | 105.8 | C159 S163 | C159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-S163 WeakPolarHBondContact O-CB 3.13Å; P161-S163 PolarHBondContact O-N 2.78Å; P161-S163 PolarHBondContact O-OG 3.23Å |
| 162 | E | 46.6 | Very low | 60.4 | Low | 159 Ų | 159 | 111.6 Ų | 111.6 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -58.7 | 67.8 | 164.5 | -164.3 | 160.6 | -173.9 | 0 | 0 | 108.8 | R160 R165 | R160-E162 PolarHBondContact O-N 2.87Å; E162-R165 HydrophobicContact CG-CB 4.38Å |
| 163 | S | 45.9 | Very low | 58.5 | Low | 83 Ų | 83 | 113.9 Ų | 113.9 | 58% | 0.58 | 61% | 0.611 | S | S | * | * | | | trans | -113.7 | 0.8 | -169.6 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | P161 | P161-S163 WeakPolarHBondContact O-CB 3.13Å; P161-S163 PolarHBondContact O-N 2.78Å; P161-S163 PolarHBondContact O-OG 3.23Å |
| 164 | A | 44.4 | Very low | 56.7 | Low | 107 Ų | 107 | 114 Ų | 114 | 88% | 0.884 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -110.3 | 8.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 165 | R | 42 | Very low | 54.9 | Low | 209 Ų | 209 | 118.6 Ų | 118.6 | 79% | 0.789 | 63% | 0.625 | S | S | * | * | | | trans | -107.1 | 13.9 | 168.5 | -106 | -177 | -179.3 | 172.5 | 0.5 | 113.6 | E162 N167 | E162-R165 HydrophobicContact CG-CB 4.38Å; R165-N167 PolarHBondContact O-N 3.21Å |
| 166 | C | 38.4 | Very low | 53.1 | Low | 106 Ų | 106 | 123.7 Ų | 123.7 | 72% | 0.716 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -65.7 | 88.1 | 160.9 | -80 | 0 | 0 | 0 | 0 | 109.8 | | |
| 167 | N | 44.8 | Very low | 51.6 | Low | 71 Ų | 71 | 127.4 Ų | 127.4 | 38% | 0.38 | 65% | 0.649 | S | S | . | * | | | | 64.8 | 59.4 | 125.3 | -153.6 | -5.3 | 0 | 0 | 0 | 116.6 | R165 K169 N170 V171 | R165-N167 PolarHBondContact O-N 3.21Å; N167-K169 PolarHBondContact O-N 3.07Å; N167-N170 VanDerWaalsContact CG-CB 3.47Å; N167-N170 VanDerWaalsContact CG-CG 3.44Å; N167-N170 VanDerWaalsContact ND2-CB 3.29Å; N167-N170 WeakPolarHBondContact ND2-CB 3.47Å; N167-N170 PolarHBondContact ND2-ND2 3.32Å; N167-N170 PolarHBondContact O-N 3.46Å; N167-N170 WeakPolarHBondContact OD1-CB 3.39Å; N167-N170 PolarHBondContact OD1-N 3.46Å; N167-N170 PolarHBondContact OD1-OD1 3.41Å; N167-V171 PolarHBondContact O-N 2.83Å |
| 168 | D | 48 | Very low | 50.2 | Low | 143 Ų | 143 | 127.5 Ų | 127.5 | 77% | 0.765 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61.5 | -9.2 | 165.2 | -143.2 | 5.9 | 0 | 0 | 0 | 112.5 | | |
| 169 | K | 51 | Low | 49.1 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 76% | 0.761 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.8 | -27.7 | 176 | -64.9 | -171 | 178.2 | -177 | 0 | 113.7 | N167 | N167-K169 PolarHBondContact O-N 3.07Å |
| 170 | N | 51.5 | Low | 48.5 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 43% | 0.428 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -97.9 | -16.5 | 180 | -67.9 | 10.7 | 0 | 0 | 0 | 114 | N167 N174 | N167-N170 VanDerWaalsContact CG-CB 3.47Å; N167-N170 VanDerWaalsContact CG-CG 3.44Å; N167-N170 VanDerWaalsContact ND2-CB 3.29Å; N167-N170 WeakPolarHBondContact ND2-CB 3.47Å; N167-N170 PolarHBondContact ND2-ND2 3.32Å; N167-N170 PolarHBondContact O-N 3.46Å; N167-N170 WeakPolarHBondContact OD1-CB 3.39Å; N167-N170 PolarHBondContact OD1-N 3.46Å; N167-N170 PolarHBondContact OD1-OD1 3.41Å; N170-N174 PolarHBondContact O-N 3.1Å; N170-N174 PolarHBondContact O-ND2 3.31Å |
| 171 | V | 50.9 | Low | 48 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -74 | -36 | 172.6 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | N167 E173 H175 | N167-V171 PolarHBondContact O-N 2.83Å; V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 3.32Å; V171-H175 PolarHBondContact O-CD2 2.93Å; V171-H175 VanDerWaalsContact O-CD2 3.23Å; V171-H175 PolarHBondContact O-N 3.21Å |
| 172 | Q | 51.1 | Low | 48.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.724 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.2 | -28.8 | 175.8 | -157.6 | 175.2 | 34.7 | 0 | 0 | 113.2 | | |
| 173 | E | 51.7 | Low | 48.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 55% | 0.547 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -81.7 | -28.8 | -179.1 | -160.7 | 160.1 | -168 | 0 | 0 | 113.2 | V171 | V171-E173 VanDerWaalsContact C-N 3.32Å; V171-E173 PolarHBondContact O-N 3.32Å |
| 174 | N | 50.7 | Low | 48 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 54% | 0.54 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -77.6 | -30.4 | 173.8 | -78.3 | -39 | 0 | 0 | 0 | 113.1 | N170 R176 K177 L178 | N170-N174 PolarHBondContact O-N 3.1Å; N170-N174 PolarHBondContact O-ND2 3.31Å; N174-R176 VanDerWaalsContact C-N 3.28Å; N174-R176 PolarHBondContact O-N 3.39Å; N174-K177 PolarHBondContact O-N 2.86Å; N174-L178 PolarHBondContact O-N 3.33Å |
| 175 | H | 49.7 | Very low | 47.8 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 57% | 0.574 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.6 | -24.1 | 172.9 | -82.7 | -71.1 | 0 | 0 | 0 | 113.3 | V171 | V171-H175 PolarHBondContact O-CD2 2.93Å; V171-H175 VanDerWaalsContact O-CD2 3.23Å; V171-H175 PolarHBondContact O-N 3.21Å |
| 176 | R | 48.3 | Very low | 48 | Very low | 202 Ų | 202 | 126.6 Ų | 126.6 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.7 | -24.8 | 175.6 | -165.5 | 174.1 | 177.3 | 160.2 | -0.1 | 113.3 | N174 | N174-R176 VanDerWaalsContact C-N 3.28Å; N174-R176 PolarHBondContact O-N 3.39Å |
| 177 | K | 51 | Low | 48.3 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 64% | 0.635 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -83.8 | -23 | 176.8 | -76.6 | -178.9 | 177.7 | 176 | 0 | 113.9 | N174 | N174-K177 PolarHBondContact O-N 2.86Å |
| 178 | L | 49.9 | Very low | 48.4 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -10.7 | 177 | -83.5 | 157 | 0 | 0 | 0 | 114.4 | N174 | N174-L178 PolarHBondContact O-N 3.33Š|
| 179 | L | 50.6 | Low | 48.3 | Very low | 154 Ų | 154 | 131 Ų | 131 | 81% | 0.806 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 1.7 | 178.4 | -76.6 | 162.9 | 0 | 0 | 0 | 113.3 | | |
| 180 | V | 48.8 | Very low | 48.2 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | | | trans | -131.1 | 41.8 | -178.6 | -165.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 181 | S | 44.1 | Very low | 48 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | | | trans | -107.5 | 80.8 | 156.5 | -87.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 182 | E | 53.1 | Low | 47.9 | Very low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | | | trans | -54.1 | 139.5 | 142 | -77.3 | 178.7 | 106.3 | 0 | 0 | 106.9 | | |
| 183 | D | 47.5 | Very low | 47.7 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 89.9 | 90 | -179.3 | -52.4 | -32.2 | 0 | 0 | 0 | 117.4 | | |
| 184 | G | 41.6 | Very low | 47.5 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | | 103.4 | 122.7 | 129.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 185 | P | 39.3 | Very low | 47.5 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | | | trans | -87.5 | 117.9 | -178.4 | 34.2 | -28.4 | 0 | 0 | 0 | 110.5 | | |
| 186 | T | 46.8 | Very low | 47.4 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | -141.2 | 115.2 | 168.3 | 37.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 187 | D | 43.7 | Very low | 47.3 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | | | trans | 43.8 | 80.7 | 147.7 | -65.6 | -21 | 0 | 0 | 0 | 117.6 | | |
| 188 | V | 46.6 | Very low | 46.9 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 92% | 0.915 | 72% | 0.718 | S | S | * | * | | | trans | -110 | 66.7 | 149.4 | -160.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 189 | D | 46 | Very low | 46.8 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | trans | -73.6 | 123.3 | 174.9 | -117.4 | -11.5 | 0 | 0 | 0 | 110 | L191 | D189-L191 PolarHBondContact O-N 3.26Š|
| 190 | L | 48.9 | Very low | 46.6 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 79.8 | -4.7 | 137.9 | -68.1 | 157 | 0 | 0 | 0 | 122.7 | | |
| 191 | L | 47.2 | Very low | 46.4 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -127.3 | 78.8 | 175.7 | -88.4 | 88.1 | 0 | 0 | 0 | 112.8 | D189 | D189-L191 PolarHBondContact O-N 3.26Š|
| 192 | D | 48.5 | Very low | 46.5 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 60% | 0.599 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 176.6 | -3.1 | 143 | -126 | -8.4 | 0 | 0 | 0 | 115.6 | N194 A195 | D192-N194 PolarHBondContact O-N 3.3Å; D192-N194 VanDerWaalsContact O-N 3.1Å; D192-A195 PolarHBondContact O-N 3.35Å |
| 193 | R | 47.2 | Very low | 46 | Very low | 240 Ų | 240 | 132.4 Ų | 132.4 | 91% | 0.906 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -9.9 | -174.8 | -90.2 | -179.7 | 174.1 | 161.7 | -0.5 | 115.5 | | |
| 194 | N | 49 | Very low | 45.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -10.7 | 176.4 | -92.9 | -10.3 | 0 | 0 | 0 | 115 | D192 | D192-N194 PolarHBondContact O-N 3.3Å; D192-N194 VanDerWaalsContact O-N 3.1Å |
| 195 | A | 50 | Low | 46.1 | Very low | 57 Ų | 57 | 133.8 Ų | 133.8 | 47% | 0.471 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | -24.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D192 | D192-A195 PolarHBondContact O-N 3.35Š|
| 196 | V | 48.4 | Very low | 46.6 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 51% | 0.509 | 71% | 0.708 | S | S | . | * | S | Bend | trans | -88.7 | -10.4 | -175.8 | -175.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 197 | S | 44.4 | Very low | 46.7 | Very low | 48 Ų | 48 | 132.6 Ų | 132.6 | 34% | 0.336 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -85.4 | -21.6 | -179.4 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | F201 | S197-F201 WeakPolarHBondContact O-CD2 3.29Š|
| 198 | F | 43.6 | Very low | 46.4 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -85.9 | -20 | -178.7 | -75 | -81.6 | 0 | 0 | 0 | 114.6 | R200 | F198-R200 VanDerWaalsContact C-N 3.32Å; F198-R200 PolarHBondContact O-N 3.39Å |
| 199 | I | 48 | Very low | 46.2 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -10.4 | -178.9 | -56.5 | 179.2 | 0 | 0 | 0 | 111.8 | | |
| 200 | R | 45.6 | Very low | 46 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -5.7 | 175.8 | -72.1 | -165.5 | -167.5 | -162.9 | 4.2 | 115.8 | F198 | F198-R200 VanDerWaalsContact C-N 3.32Å; F198-R200 PolarHBondContact O-N 3.39Å |
| 201 | F | 44.4 | Very low | 45.6 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 73% | 0.728 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -99.5 | -12.6 | 179 | -76.4 | -76.3 | 0 | 0 | 0 | 114.8 | S197 | S197-F201 WeakPolarHBondContact O-CD2 3.29Š|
| 202 | A | 46.1 | Very low | 45.1 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 203 | N | 42.6 | Very low | 44.9 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 18 | -174.3 | -116.6 | -2.1 | 0 | 0 | 0 | 114 | | |
| 204 | L | 43.4 | Very low | 44.8 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | | | trans | -122.2 | 58.7 | -179.4 | -70.9 | 170.2 | 0 | 0 | 0 | 111.4 | | |
| 205 | T | 48.5 | Very low | 44.6 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 77% | 0.767 | 72% | 0.72 | S | S | * | * | | | trans | -138.9 | 93.8 | 158.7 | 34 | 0 | 0 | 0 | 0 | 108.4 | | |
| 206 | P | 49.1 | Very low | 44.6 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | | | trans | -66.8 | 134.6 | 162.6 | 28 | -29.6 | 0 | 0 | 0 | 108 | R208 | P206-R208 PolarHBondContact O-N 3.43Š|
| 207 | P | 49.3 | Very low | 44.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -59.6 | 127.8 | 173.8 | 24.3 | -31.1 | 0 | 0 | 0 | 109.1 | S209 | P207-S209 PolarHBondContact O-N 3.42Š|
| 208 | R | 38.2 | Very low | 44.2 | Very low | 258 Ų | 258 | 137 Ų | 137 | 97% | 0.974 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -57.1 | 95.8 | 168.8 | -81.9 | 178.5 | 160.7 | 171.5 | -4.9 | 109.6 | P206 | P206-R208 PolarHBondContact O-N 3.43Š|
| 209 | S | 41.9 | Very low | 44.2 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -164.3 | 131.8 | 158.7 | 61 | 0 | 0 | 0 | 0 | 109.8 | P207 | P207-S209 PolarHBondContact O-N 3.42Š|
| 210 | A | 42.3 | Very low | 44.4 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | 78.6 | 79.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 211 | V | 40 | Very low | 44.3 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | | 34.4 | 99.1 | 56.2 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 212 | G | 36.1 | Very low | 44.3 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 94.7 | 91.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 213 | A | 45.7 | Very low | 44.2 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | | | trans | 179.6 | 113.8 | 130.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 214 | N | 45 | Very low | 44.3 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | trans | 24.3 | 118.4 | 134.2 | -59.5 | -16.5 | 0 | 0 | 0 | 115.8 | | |
| 215 | G | 44.3 | Very low | 44.4 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | | | cis | 131 | 144.4 | 44.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 216 | T | 49.4 | Very low | 44.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | | | trans | 59.1 | 96.2 | 157.2 | 63.8 | 0 | 0 | 0 | 0 | 116.7 | | |
| 217 | H | 42 | Very low | 43.7 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 82% | 0.819 | 83% | 0.834 | S | S | * | * | | | | 176.2 | 110.6 | 101.3 | -102 | -83 | 0 | 0 | 0 | 110.5 | | |
| 218 | F | 42.2 | Very low | 43.3 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 82% | 0.82 | 84% | 0.842 | S | S | * | * | | | trans | -67.1 | 154.2 | 151.3 | -99.5 | -97.7 | 0 | 0 | 0 | 109.5 | | |
| 219 | L | 44.8 | Very low | 43.7 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | | | | 167.6 | 155.2 | 126.3 | -87.9 | 163 | 0 | 0 | 0 | 109.4 | | |
| 220 | P | 51.3 | Low | 43.9 | Very low | 190 Ų | 190 | 135 Ų | 135 | 100% | 1.234 | 84% | 0.843 | S | S | * | * | | | | -84.9 | 0 | -60.7 | 34.8 | -29.5 | 0 | 0 | 0 | 113.3 | | |