| 1 | M | 49.7 | Very low | 43 | Very low | 246 Ų | 246 | 160.9 Ų | 160.9 | 100% | 1.212 | 82% | 0.823 | S | S | * | * | | | | 0 | 137.9 | 0 | -73.7 | 176.7 | 163.6 | 0 | 0 | 108 | | |
| 2 | S | 36.4 | Very low | 42.9 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 126.5 | -176.4 | 47.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 3 | F | 43.6 | Very low | 42.5 | Very low | 215 Ų | 215 | 151.3 Ų | 151.3 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116.9 | 163.2 | -95.3 | -88 | 0 | 0 | 0 | 109.2 | | |
| 4 | S | 46.9 | Very low | 42.3 | Very low | 110 Ų | 110 | 148 Ų | 148 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 140.3 | 178.3 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 5 | Q | 51.5 | Low | 42.3 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 152.1 | 168.4 | 177 | 177.8 | -3.2 | 0 | 0 | 112.3 | | |
| 6 | F | 43.1 | Very low | 42.2 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | | | trans | 144.3 | 150.6 | 143 | -83.7 | -67.6 | 0 | 0 | 0 | 115.2 | Y8 | F6-Y8 HydrophobicContact CD1-CD2 4.24Å; F6-Y8 AromaticContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CE1-CE2 4.06Å |
| 7 | G | 37.2 | Very low | 42 | Very low | 65 Ų | 65 | 152.4 Ų | 152.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | 107.2 | 91.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 8 | Y | 37.3 | Very low | 41.8 | Very low | 202 Ų | 202 | 152 Ų | 152 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | | 60.7 | 145 | 53.7 | -68.5 | -69.4 | 0 | 0 | 0 | 115.1 | F6 | F6-Y8 HydrophobicContact CD1-CD2 4.24Å; F6-Y8 AromaticContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CD1-CE2 3.78Å; F6-Y8 HydrophobicContact CE1-CE2 4.06Å |
| 9 | P | 50 | Low | 41.3 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | cis | -126 | 153.8 | -3.6 | 38.4 | -23.6 | 0 | 0 | 0 | 115.2 | | |
| 10 | Y | 39.6 | Very low | 40.9 | Very low | 244 Ų | 244 | 146.7 Ų | 146.7 | 96% | 0.957 | 79% | 0.794 | S | S | * | * | | | trans | -93.3 | 119.9 | 143.9 | -91.2 | -84.3 | 0 | 0 | 0 | 107.4 | | |
| 11 | N | 38.2 | Very low | 40.6 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -111.6 | 144.1 | 169.9 | -169.1 | 22.3 | 0 | 0 | 0 | 109.7 | | |
| 12 | A | 41 | Very low | 40.5 | Very low | 84 Ų | 84 | 139.9 Ų | 139.9 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | trans | -129.3 | 129.2 | -177 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 13 | T | 37.6 | Very low | 40.5 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | trans | -165.3 | 114.5 | 159.5 | 27.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 14 | S | 40.5 | Very low | 40.3 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | 178.9 | 74.1 | 133.9 | -165.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 15 | Q | 42.2 | Very low | 39.8 | Very low | 139 Ų | 139 | 138 Ų | 138 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | | | | 41.3 | 96.5 | 81.1 | -65.9 | -155.9 | 27.1 | 0 | 0 | 113.7 | | |
| 16 | F | 40.4 | Very low | 38.9 | Very low | 206 Ų | 206 | 135.9 Ų | 135.9 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | trans | -133.2 | 112.1 | 138.7 | -93.3 | -77.2 | 0 | 0 | 0 | 107.8 | | |
| 17 | F | 39.2 | Very low | 38.4 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | | | trans | -92.4 | 133.6 | 168.6 | -80.3 | -90.4 | 0 | 0 | 0 | 109.3 | | |
| 18 | V | 38.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -135.6 | 110.6 | 138.2 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 19 | S | 30.6 | Very low | 37.9 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -11.2 | 120.1 | 164.8 | -179.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 20 | A | 35.1 | Very low | 37 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -96.9 | 135.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 21 | N | 33.9 | Very low | 36.7 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -131.5 | 119.9 | 176.9 | -164.4 | 22.9 | 0 | 0 | 0 | 109.5 | | |
| 22 | P | 48.3 | Very low | 36.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | | | trans | -88.5 | 145 | -173.9 | 34.2 | -34.2 | 0 | 0 | 0 | 112.6 | | |
| 23 | S | 34.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -150.7 | 100.8 | 165.4 | -74.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 24 | T | 39.2 | Very low | 36.1 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -110 | 108.3 | 173.5 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 25 | T | 37.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -151.5 | 151.3 | 156.7 | -2.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 26 | C | 31.2 | Very low | 35.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | trans | -82.5 | 155 | 177.5 | 49 | 0 | 0 | 0 | 0 | 112.2 | | |
| 27 | C | 33.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 86% | 0.858 | 79% | 0.785 | S | S | * | * | | | trans | -119.7 | 102.2 | 152.3 | -71.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 28 | D | 30.1 | Very low | 35.1 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -68.9 | 152.2 | 159.9 | -170.1 | -8.5 | 0 | 0 | 0 | 108.6 | I30 | D28-I30 PolarHBondContact OD1-N 3.4Š|
| 29 | S | 34.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -143.9 | 61.8 | 179.1 | -73 | 0 | 0 | 0 | 0 | 110.9 | S31 | S29-S31 PolarHBondContact O-N 3.41Š|
| 30 | I | 31.2 | Very low | 35 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 63% | 0.631 | 79% | 0.79 | S | S | * | * | | | trans | -57.8 | 114.6 | 162.3 | -75.4 | 169.1 | 0 | 0 | 0 | 109.8 | D28 R32 | D28-I30 PolarHBondContact OD1-N 3.4Å; I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.21Å |
| 31 | S | 33.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -72.7 | 115.2 | 166.5 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | S29 | S29-S31 PolarHBondContact O-N 3.41Š|
| 32 | R | 35.8 | Very low | 35.3 | Very low | 235 Ų | 235 | 125.1 Ų | 125.1 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -133.5 | 139 | 161.7 | -79.1 | -171.7 | 176.7 | -96.7 | -1.3 | 111.3 | I30 | I30-R32 HydrophobicContact CG2-CG 4.01Å; I30-R32 PolarHBondContact O-N 3.21Å |
| 33 | S | 34.5 | Very low | 34.7 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -108.8 | 131.4 | -174.1 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 34 | V | 33.6 | Very low | 34.6 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | -173.3 | 157.2 | 148.4 | -93.9 | 0 | 0 | 0 | 0 | 106 | | |
| 35 | S | 36.2 | Very low | 34.3 | Very low | 97 Ų | 97 | 124 Ų | 124 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | 163.7 | 142.3 | -22.8 | -88.7 | 0 | 0 | 0 | 0 | 104.5 | | |
| 36 | D | 34.1 | Very low | 34 | Very low | 166 Ų | 166 | 122.2 Ų | 122.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | 64.9 | 141.4 | 170 | -57.2 | -48 | 0 | 0 | 0 | 119.7 | | |
| 37 | G | 34.2 | Very low | 34.3 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 160.7 | 53.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 38 | T | 36.7 | Very low | 34.4 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | | | trans | -66.6 | 129.1 | -175.6 | -48.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 39 | G | 33.3 | Very low | 34.5 | Very low | 69 Ų | 69 | 119.7 Ų | 119.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -174.3 | 95 | 175.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 40 | S | 33.7 | Very low | 34.6 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | 49.9 | 94 | 144.1 | -155.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 41 | S | 36.3 | Very low | 34.7 | Very low | 89 Ų | 89 | 118 Ų | 118 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | | | | 75.2 | 134.3 | 119 | 79.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 42 | Q | 39.2 | Very low | 34.8 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | | | trans | 93.2 | 118.4 | 142.2 | -77.5 | 177.7 | 102.7 | 0 | 0 | 123.1 | | |
| 43 | T | 34.9 | Very low | 34.7 | Very low | 123 Ų | 123 | 116 Ų | 116 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | 70.3 | 97.3 | 141.4 | 52.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 44 | A | 33 | Very low | 34.5 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | | 62.5 | 109.8 | 119.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 45 | A | 34.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | | -160.4 | 160 | 121.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 46 | A | 31.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 116.5 Ų | 116.5 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -109.4 | 138.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 47 | A | 36 | Very low | 34.1 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -147.6 | 148.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 48 | A | 35.8 | Very low | 34.2 | Very low | 96 Ų | 96 | 121.8 Ų | 121.8 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | trans | -123.6 | 148.5 | -165 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 49 | A | 33.1 | Very low | 34.3 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | trans | 62.2 | 157 | 157.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 50 | A | 36.1 | Very low | 34.7 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | -138 | 148.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F52 | A50-F52 HydrophobicContact CB-CD2 4.42Š|
| 51 | S | 34.1 | Very low | 34.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -85.1 | 134.3 | 159.5 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 52 | F | 35.4 | Very low | 35 | Very low | 201 Ų | 201 | 131.3 Ų | 131.3 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | -142.7 | 133.8 | 165.6 | -104.8 | -80.2 | 0 | 0 | 0 | 110.5 | A50 | A50-F52 HydrophobicContact CB-CD2 4.42Š|
| 53 | C | 32.6 | Very low | 34.6 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 145.6 | -167.7 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 54 | C | 31.1 | Very low | 34.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.1 | 153.8 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 55 | P | 36.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 130.1 | 173.1 | 29.9 | -32.6 | 0 | 0 | 0 | 110.9 | | |
| 56 | S | 28.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 143.6 | 165.9 | -172.8 | 0 | 0 | 0 | 0 | 110.2 | E58 | S56-E58 PolarHBondContact O-N 3.12Å; S56-E58 VanDerWaalsContact O-N 3.15Å |
| 57 | Y | 31.3 | Very low | 35.2 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | -86.6 | 77.4 | 174.8 | -170.5 | -102.1 | 0 | 0 | 0 | 110.5 | N59 | Y57-N59 HydrophobicContact CD1-CB 4.44Å; Y57-N59 HydrophobicContact CE1-CB 4.07Å |
| 58 | E | 34.9 | Very low | 35.5 | Very low | 155 Ų | 155 | 139 Ų | 139 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | -66.7 | 134.9 | 164.7 | -94.3 | -69.4 | 163.9 | 0 | 0 | 110.2 | S56 | S56-E58 PolarHBondContact O-N 3.12Å; S56-E58 VanDerWaalsContact O-N 3.15Å |
| 59 | N | 40.1 | Very low | 35.7 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | | | trans | -132.5 | 78.3 | -177.3 | -166.3 | -4.3 | 0 | 0 | 0 | 110.4 | Y57 | Y57-N59 HydrophobicContact CD1-CB 4.44Å; Y57-N59 HydrophobicContact CE1-CB 4.07Å |
| 60 | R | 40.7 | Very low | 36.1 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -147.2 | 126.9 | -179 | -117.3 | -173.6 | -179.4 | -111.2 | -2.5 | 115 | | |
| 61 | L | 36.4 | Very low | 36.7 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | | | trans | 86.6 | 145 | 151.6 | -55 | 175.7 | 0 | 0 | 0 | 120.3 | | |
| 62 | L | 40.9 | Very low | 37.2 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | 64.8 | 109.7 | 172.6 | -50.2 | -175.7 | 0 | 0 | 0 | 114.8 | | |
| 63 | A | 29.9 | Very low | 37.6 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | cis | 63.2 | 76.5 | 15.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 64 | S | 31.2 | Very low | 38.4 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -163.7 | 94.7 | 149.1 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 65 | S | 35.1 | Very low | 39 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -153.9 | 89.6 | 162 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 66 | R | 35.5 | Very low | 39.5 | Very low | 231 Ų | 231 | 149.9 Ų | 149.9 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | | | trans | 45 | 109.5 | 147.4 | -77.4 | -180 | 166.1 | 142 | -2.4 | 120.1 | | |
| 67 | T | 43.7 | Very low | 40.1 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | | 30.8 | 100.7 | 118.4 | 57.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 68 | E | 42 | Very low | 40.1 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | | 178.3 | 91.7 | 123.5 | -99.8 | 174.2 | -138.1 | 0 | 0 | 110.4 | | |
| 69 | L | 40.9 | Very low | 40.6 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -135.5 | 59.8 | 176.5 | -74.9 | 177.3 | 0 | 0 | 0 | 111.2 | | |
| 70 | N | 41.6 | Very low | 40.7 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -139.8 | 37.4 | 170.2 | -161.2 | 27.1 | 0 | 0 | 0 | 112.3 | | |
| 71 | A | 47.7 | Very low | 40.9 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -141.5 | 15.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 72 | A | 44.1 | Very low | 41.3 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 69% | 0.686 | 82% | 0.82 | S | S | * | * | | | trans | -118.9 | 13.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G74 | A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.28Å |
| 73 | L | 45.4 | Very low | 41.3 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 95% | 0.948 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -93.4 | 20.5 | -175.8 | -121.4 | 162.6 | 0 | 0 | 0 | 114 | | |
| 74 | G | 48.1 | Very low | 41.9 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | -117.2 | 14 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | A72 | A72-G74 VanDerWaalsContact C-N 3.34Å; A72-G74 PolarHBondContact O-N 3.28Å |
| 75 | M | 44.1 | Very low | 42.4 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | | | trans | -98.8 | 13.6 | -168.9 | -84.3 | -95.3 | 55.1 | 0 | 0 | 116.3 | | |
| 76 | Y | 48 | Very low | 42.7 | Very low | 249 Ų | 249 | 134.8 Ų | 134.8 | 98% | 0.976 | 82% | 0.82 | S | S | * | * | | | trans | -122.4 | 78.4 | 168.5 | -82.8 | -84.9 | 0 | 0 | 0 | 110.9 | | |
| 77 | G | 41.1 | Very low | 42.7 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | -136.9 | 126.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 78 | S | 30.6 | Very low | 42.4 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | -80 | 133.1 | -174.8 | -174.2 | 0 | 0 | 0 | 0 | 112 | Y80 | S78-Y80 PolarHBondContact O-N 3.15Š|
| 79 | P | 45 | Very low | 42 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 18.5 | -165.7 | 33.3 | -38.3 | 0 | 0 | 0 | 115.7 | | |
| 80 | Y | 41.8 | Very low | 41.6 | Very low | 221 Ų | 221 | 131.9 Ų | 131.9 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3.2 | -167.7 | -125.5 | -88 | 0 | 0 | 0 | 116.2 | S78 | S78-Y80 PolarHBondContact O-N 3.15Š|
| 81 | A | 45.7 | Very low | 41.1 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -103.4 | -1.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 82 | A | 44.3 | Very low | 40.2 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -97.2 | 4.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 83 | A | 42.5 | Very low | 39.9 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -99.1 | -3.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 84 | A | 42.3 | Very low | 39.8 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -102.5 | 4.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 85 | A | 41.8 | Very low | 39.6 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -112.8 | 8.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 86 | A | 40.1 | Very low | 39.2 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -127.2 | 18.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 87 | S | 35.6 | Very low | 38.4 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | -126.8 | 54.5 | -170.4 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 88 | Q | 38.3 | Very low | 38.1 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -144.4 | 75.2 | 168.4 | -71.9 | -60.9 | -8.7 | 0 | 0 | 112.5 | | |
| 89 | N | 32.4 | Very low | 38.1 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -158.8 | 160.1 | 143.2 | -126.3 | -42.5 | 0 | 0 | 0 | 112.6 | | |
| 90 | Y | 32.7 | Very low | 38.1 | Very low | 216 Ų | 216 | 140 Ų | 140 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -106.9 | 149.4 | -156 | -126.4 | -112.9 | 0 | 0 | 0 | 115.1 | | |
| 91 | A | 31 | Very low | 38 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | | | trans | 49.5 | 126.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 92 | N | 30.4 | Very low | 37.6 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | | -153.9 | 169 | 118.9 | -117.1 | -78.2 | 0 | 0 | 0 | 112.8 | | |
| 93 | Y | 37.2 | Very low | 37.4 | Very low | 219 Ų | 219 | 137.4 Ų | 137.4 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -87.3 | 152.5 | -161.8 | -95.5 | -110 | 0 | 0 | 0 | 116.2 | | |
| 94 | F | 42.1 | Very low | 37 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | | | trans | -87.6 | 144.5 | 156.4 | -88.5 | -85 | 0 | 0 | 0 | 111.2 | | |
| 95 | P | 43.7 | Very low | 36.5 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | | | trans | -115.2 | 134 | 151.2 | 34.4 | -24.4 | 0 | 0 | 0 | 111.9 | | |
| 96 | Y | 36.8 | Very low | 36.3 | Very low | 217 Ų | 217 | 144.3 Ų | 144.3 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -91 | 147.4 | 170.6 | -98.7 | -98.9 | 0 | 0 | 0 | 111.1 | | |
| 97 | S | 31.4 | Very low | 36.1 | Very low | 116 Ų | 116 | 146.8 Ų | 146.8 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | trans | -156.9 | 173.7 | 156 | -156.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 98 | T | 34.1 | Very low | 36.4 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | -135.5 | 154.3 | -148.8 | 52.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 99 | D | 31.5 | Very low | 36.9 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | 79.3 | 133.7 | 153.2 | -156 | 49.6 | 0 | 0 | 0 | 120 | | |
| 100 | P | 44.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -126.1 | 121.7 | 173.1 | 37.2 | -21.9 | 0 | 0 | 0 | 114.8 | | |
| 101 | S | 38.9 | Very low | 37.1 | Very low | 124 Ų | 124 | 145.1 Ų | 145.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -162.6 | 86.1 | 163.3 | -87.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 102 | A | 37.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -167.4 | 150 | 149.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 103 | I | 40.2 | Very low | 37.9 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 70% | 0.697 | 78% | 0.775 | S | S | * | * | | | cis | -137.8 | 146.2 | 22.7 | -51.8 | 171.5 | 0 | 0 | 0 | 107.7 | | |
| 104 | Y | 33.8 | Very low | 37.9 | Very low | 219 Ų | 219 | 144.7 Ų | 144.7 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | | 167.2 | 99.8 | 124.3 | -88.1 | -64.8 | 0 | 0 | 0 | 112.6 | | |
| 105 | S | 32.9 | Very low | 37.5 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -79.9 | 160.6 | 137.1 | -52.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 106 | T | 37.3 | Very low | 37 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | -166 | 178.8 | 18.4 | -19.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 107 | L | 36.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | 75.8 | 92.3 | 152.6 | -70 | 158.2 | 0 | 0 | 0 | 119.7 | | |
| 108 | N | 40.6 | Very low | 37.1 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | | | trans | -65.7 | 144.5 | 142.4 | 167.5 | 36.2 | 0 | 0 | 0 | 110.9 | Q110 | N108-Q110 PolarHBondContact OD1-N 3.43Š|
| 109 | P | 49.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -131.1 | 120.9 | 141.2 | 35.2 | -23.2 | 0 | 0 | 0 | 114.8 | | |
| 110 | Q | 31.9 | Very low | 37.6 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | 37 | 121.6 | 144.3 | -63.5 | -165 | -26.8 | 0 | 0 | 122.3 | N108 | N108-Q110 PolarHBondContact OD1-N 3.43Š|
| 111 | Y | 36.7 | Very low | 37.3 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | | 36.1 | 121.4 | 124.4 | -70.8 | -80.7 | 0 | 0 | 0 | 120.8 | I113 | Y111-I113 HydrophobicContact CD1-CD1 3.54Å; Y111-I113 HydrophobicContact CE1-CD1 3.89Å |
| 112 | D | 32.4 | Very low | 37.3 | Very low | 150 Ų | 150 | 140.8 Ų | 140.8 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | | -136.3 | 149.5 | 119.2 | -171.4 | -140.8 | 0 | 0 | 0 | 109.8 | | |
| 113 | I | 45.8 | Very low | 37.2 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 59% | 0.585 | 77% | 0.772 | S | S | * | * | | | trans | -115.6 | 127.5 | 176.1 | -95.9 | 76.8 | 0 | 0 | 0 | 108.9 | Y111 | Y111-I113 HydrophobicContact CD1-CD1 3.54Å; Y111-I113 HydrophobicContact CE1-CD1 3.89Å |
| 114 | K | 37.9 | Very low | 37.1 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -154.3 | 79.6 | 163.8 | -157.6 | 165 | -172 | 171.2 | 0 | 114.3 | | |
| 115 | D | 34.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 143.4 | 165.6 | -75.4 | -73.8 | 0 | 0 | 0 | 112 | | |
| 116 | S | 31.9 | Very low | 37.7 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -154.7 | 101 | 163.8 | -76 | 0 | 0 | 0 | 0 | 112 | | |
| 117 | T | 35.3 | Very low | 37.8 | Very low | 142 Ų | 142 | 141 Ų | 141 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | 58.6 | 110.2 | 152.2 | 57.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 118 | G | 35.5 | Very low | 38 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 87.2 | 125.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 119 | T | 38.3 | Very low | 37.8 | Very low | 142 Ų | 142 | 136 Ų | 136 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | | | cis | -146.8 | 142.2 | 14.4 | -64 | 0 | 0 | 0 | 0 | 110 | H121 | T119-H121 PolarHBondContact O-N 3.41Š|
| 120 | L | 37.5 | Very low | 37.3 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 120.4 | -172.7 | -68.3 | 171.9 | 0 | 0 | 0 | 113.1 | | |
| 121 | H | 39 | Very low | 37.8 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | trans | -118.9 | 103.2 | 150.7 | -151.8 | 92.5 | 0 | 0 | 0 | 107.7 | T119 | T119-H121 PolarHBondContact O-N 3.41Š|
| 122 | S | 38.2 | Very low | 38.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | -160.3 | 135.1 | -177 | -71.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 123 | G | 35 | Very low | 39 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | -132.1 | -152 | -7.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 124 | I | 40 | Very low | 38.8 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | cis | -138.6 | 153.4 | 14 | -86.1 | 175.7 | 0 | 0 | 0 | 110.9 | | |
| 125 | T | 40.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 148.6 | 176.9 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 126 | Q | 37.8 | Very low | 40.4 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -140.4 | 161.1 | 132 | -79 | -148.9 | 5.5 | 0 | 0 | 109.7 | | |
| 127 | T | 39.2 | Very low | 41.5 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -120.9 | 135.6 | -148.5 | 49.7 | 0 | 0 | 0 | 0 | 115 | | |
| 128 | A | 41.1 | Very low | 42 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 42.9 | 116.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 129 | A | 35.9 | Very low | 42.4 | Very low | 100 Ų | 100 | 138.8 Ų | 138.8 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -133.7 | 57.2 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y131 | A129-Y131 PolarHBondContact O-N 3.17Š|
| 130 | Y | 39.2 | Very low | 42.5 | Very low | 196 Ų | 196 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -83.7 | 106.5 | -176.1 | 176.8 | -99 | 0 | 0 | 0 | 110.8 | P132 | Y130-P132 HydrophobicContact CD1-CB 4.49Å; Y130-P132 HydrophobicContact CD1-CG 4.43Å; Y130-P132 HydrophobicContact CE1-CB 3.73Å; Y130-P132 HydrophobicContact CE1-CG 4.04Å; Y130-P132 WeakPolarHBondContact O-CD 3.32Å |
| 131 | Y | 42.1 | Very low | 43 | Very low | 212 Ų | 212 | 142.3 Ų | 142.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -90.7 | 111.6 | 163 | -82.2 | -85.4 | 0 | 0 | 0 | 109.1 | A129 Y133 | A129-Y131 PolarHBondContact O-N 3.17Å; Y131-Y133 PolarHBondContact O-N 3.31Å |
| 132 | P | 49.2 | Very low | 43 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | trans | -72.1 | 97.6 | 165.7 | 28.5 | -29.9 | 0 | 0 | 0 | 108.6 | Y130 | Y130-P132 HydrophobicContact CD1-CB 4.49Å; Y130-P132 HydrophobicContact CD1-CG 4.43Å; Y130-P132 HydrophobicContact CE1-CB 3.73Å; Y130-P132 HydrophobicContact CE1-CG 4.04Å; Y130-P132 WeakPolarHBondContact O-CD 3.32Å |
| 133 | Y | 45.3 | Very low | 43.6 | Very low | 190 Ų | 190 | 146 Ų | 146 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -78 | 134.4 | 171.6 | -152.7 | -88.8 | 0 | 0 | 0 | 109.3 | Y131 H135 | Y131-Y133 PolarHBondContact O-N 3.31Å; Y133-H135 PolarHBondContact O-N 3.12Å |
| 134 | D | 40.8 | Very low | 44.3 | Very low | 114 Ų | 114 | 153.7 Ų | 153.7 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | trans | -72.7 | 114.5 | 176.3 | -175.8 | -1 | 0 | 0 | 0 | 109.8 | S136 | D134-S136 VanDerWaalsContact CG-OG 3.28Å; D134-S136 WeakPolarHBondContact OD1-CB 3.38Å; D134-S136 PolarHBondContact OD1-N 3.29Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; D134-S136 PolarHBondContact OD2-OG 3.07Å |
| 135 | H | 52.1 | Low | 44.4 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -96.1 | 5.9 | 179.4 | -78.7 | -63.8 | 0 | 0 | 0 | 113.6 | Y133 L137 | Y133-H135 PolarHBondContact O-N 3.12Å; H135-L137 PolarHBondContact O-N 3.1Å |
| 136 | S | 55.9 | Low | 44.6 | Very low | 82 Ų | 82 | 154.7 Ų | 154.7 | 57% | 0.573 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -24.5 | -175.7 | 66 | 0 | 0 | 0 | 0 | 114.7 | D134 | D134-S136 VanDerWaalsContact CG-OG 3.28Å; D134-S136 WeakPolarHBondContact OD1-CB 3.38Å; D134-S136 PolarHBondContact OD1-N 3.29Å; D134-S136 PolarHBondContact OD1-OG 3.07Å; D134-S136 PolarHBondContact OD2-OG 3.07Å |
| 137 | L | 53.6 | Low | 45.2 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 14 | -169.7 | -143.5 | 77.6 | 0 | 0 | 0 | 115.5 | H135 | H135-L137 PolarHBondContact O-N 3.1Š|
| 138 | G | 46.2 | Very low | 45.7 | Very low | 67 Ų | 67 | 150.7 Ų | 150.7 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -99.2 | -13.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y140 | G138-Y140 PolarHBondContact O-N 3.39Š|
| 139 | Q | 44.2 | Very low | 46 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | -100 | 35.6 | -160.6 | -152.6 | 91.9 | 6.8 | 0 | 0 | 114.4 | | |
| 140 | Y | 41 | Very low | 46.6 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -94 | 138.9 | 175.7 | -89.5 | -84 | 0 | 0 | 0 | 112.5 | G138 | G138-Y140 PolarHBondContact O-N 3.39Š|
| 141 | Q | 47.2 | Very low | 46.9 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | trans | -69.5 | 141.7 | -165.2 | -57.9 | 176.5 | -86.2 | 0 | 0 | 113.8 | | |
| 142 | Y | 39.6 | Very low | 47.2 | Very low | 226 Ų | 226 | 146.8 Ų | 146.8 | 89% | 0.886 | 75% | 0.746 | S | S | * | * | | | trans | -130.7 | 19.5 | 153.2 | -128.8 | -86 | 0 | 0 | 0 | 113.4 | R144 | Y142-R144 PolarHBondContact O-N 3.5Š|
| 143 | D | 49.3 | Very low | 47.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | -71.7 | 65.9 | 173.7 | -63.9 | -76.6 | 0 | 0 | 0 | 112.1 | | |
| 144 | R | 49.4 | Very low | 47.7 | Very low | 231 Ų | 231 | 141.8 Ų | 141.8 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | -148.3 | 37.7 | 179.5 | -140.9 | -178 | -164.9 | -179.5 | 6.2 | 117.9 | Y142 | Y142-R144 PolarHBondContact O-N 3.5Š|
| 145 | Y | 42.4 | Very low | 48.3 | Very low | 247 Ų | 247 | 146.9 Ų | 146.9 | 97% | 0.969 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -171.7 | 153.9 | 134.2 | -124.4 | -98 | 0 | 0 | 0 | 111.1 | | |
| 146 | G | 44.9 | Very low | 48.5 | Very low | 58 Ų | 58 | 150.6 Ų | 150.6 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | | | trans | 102.6 | 62.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | V148 | G146-V148 PolarHBondContact O-N 3.26Š|
| 147 | T | 51.5 | Low | 49 | Very low | 137 Ų | 137 | 155 Ų | 155 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -75.4 | 100 | 164.1 | -174 | 0 | 0 | 0 | 0 | 109.9 | | |
| 148 | V | 48 | Very low | 49.6 | Very low | 99 Ų | 99 | 154.9 Ų | 154.9 | 60% | 0.6 | 77% | 0.77 | S | S | * | * | | | trans | -139.6 | 72.3 | 174.2 | -75.7 | 0 | 0 | 0 | 0 | 111.2 | G146 F150 | G146-V148 PolarHBondContact O-N 3.26Å; V148-F150 HydrophobicContact CG2-CE2 4.23Å; V148-F150 VanDerWaalsContact O-CD2 3.24Å; V148-F150 WeakPolarHBondContact O-CD2 3.44Å; V148-F150 PolarHBondContact O-N 3.2Å |
| 149 | D | 49.1 | Very low | 50.9 | Low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | 41.4 | 44.1 | 144.9 | -55 | -18.2 | 0 | 0 | 0 | 119.1 | N151 | D149-N151 PolarHBondContact O-N 2.98Š|
| 150 | F | 48 | Very low | 52.6 | Low | 173 Ų | 173 | 149.3 Ų | 149.3 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -73.3 | 51.8 | 170.8 | -80.7 | -75.1 | 0 | 0 | 0 | 113.3 | V148 G152 | V148-F150 HydrophobicContact CG2-CE2 4.23Å; V148-F150 VanDerWaalsContact O-CD2 3.24Å; V148-F150 WeakPolarHBondContact O-CD2 3.44Å; V148-F150 PolarHBondContact O-N 3.2Å; F150-G152 PolarHBondContact O-N 2.83Å |
| 151 | N | 46 | Very low | 54.6 | Low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | | | trans | -69.6 | 83.9 | 177.4 | -176.8 | 16.1 | 0 | 0 | 0 | 111.9 | D149 T153 | D149-N151 PolarHBondContact O-N 2.98Å; N151-T153 PolarHBondContact O-N 3.37Å |
| 152 | G | 48 | Very low | 56.4 | Low | 56 Ų | 56 | 148.7 Ų | 148.7 | 58% | 0.577 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 70 | -10 | 161 | 0 | 0 | 0 | 0 | 0 | 117.9 | F150 A154 | F150-G152 PolarHBondContact O-N 2.83Å; G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 3.38Å |
| 153 | T | 52.9 | Low | 58.8 | Low | 89 Ų | 89 | 139.5 Ų | 139.5 | 55% | 0.546 | 70% | 0.703 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.5 | -20.6 | -173.7 | 51.2 | 0 | 0 | 0 | 0 | 114.8 | N151 R155 | N151-T153 PolarHBondContact O-N 3.37Å; T153-R155 VanDerWaalsContact C-N 3.32Å; T153-R155 PolarHBondContact O-N 3.5Å |
| 154 | A | 52 | Low | 60.8 | Low | 91 Ų | 91 | 133.2 Ų | 133.2 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -8.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G152 R156 | G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 3.38Å; A154-R156 PolarHBondContact O-N 3.32Å |
| 155 | R | 53.6 | Low | 63.1 | Low | 220 Ų | 220 | 125 Ų | 125 | 83% | 0.83 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -66.6 | 127.7 | 166.9 | -65.8 | -164.7 | -166.3 | -131.9 | 6.5 | 108.6 | T153 K157 | T153-R155 VanDerWaalsContact C-N 3.32Å; T153-R155 PolarHBondContact O-N 3.5Å; R155-K157 PolarHBondContact O-N 2.98Å |
| 156 | R | 56.8 | Low | 65.6 | Low | 236 Ų | 236 | 115.6 Ų | 115.6 | 89% | 0.891 | 62% | 0.617 | S | S | * | * | | | trans | -52 | 104.3 | 175.8 | -62.6 | -179.7 | -169.3 | 158.4 | 4.1 | 109.7 | A154 N158 | A154-R156 PolarHBondContact O-N 3.32Å; R156-N158 PolarHBondContact O-N 3.22Å; R156-N158 PolarHBondContact O-OD1 2.97Å |
| 157 | K | 64.8 | Low | 68.1 | Low | 173 Ų | 173 | 112.9 Ų | 112.9 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | | | trans | -66 | 104.9 | 177.5 | -65.4 | -177.4 | -178.2 | 179.5 | 0 | 108.5 | R155 A159 | R155-K157 PolarHBondContact O-N 2.98Å; K157-A159 PolarHBondContact O-N 2.95Å |
| 158 | N | 67.3 | Low | 70.2 | Confident | 152 Ų | 152 | 111.3 Ų | 111.3 | 81% | 0.813 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 129.9 | 173.5 | -55.8 | 67 | 0 | 0 | 0 | 108.5 | R156 T160 | R156-N158 PolarHBondContact O-N 3.22Å; R156-N158 PolarHBondContact O-OD1 2.97Å; N158-T160 PolarHBondContact O-N 3.14Å |
| 159 | A | 72.6 | Confident | 72.5 | Confident | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 132 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | K157 T164 M194 | K157-A159 PolarHBondContact O-N 2.95Å; A159-T164 HydrophobicContact CB-CG2 3.82Å; A159-M194 HydrophobicContact CB-SD 4.28Å |
| 160 | T | 80.3 | Confident | 74.8 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 157.5 | -173.7 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | N158 E162 T163 T164 | N158-T160 PolarHBondContact O-N 3.14Å; T160-E162 PolarHBondContact O-N 3.29Å; T160-E162 VanDerWaalsContact O-N 3.14Å; T160-T163 PolarHBondContact N-OG1 3.22Å; T160-T163 PolarHBondContact O-N 3.09Å; T160-T163 PolarHBondContact O-OG1 3.28Å; T160-T163 PolarHBondContact OG1-N 3.33Å; T160-T163 PolarHBondContact OG1-OG1 2.92Å; T160-T164 PolarHBondContact O-N 2.95Å; T160-T164 VanDerWaalsContact O-N 3.12Å |
| 161 | R | 83.2 | Confident | 77.1 | Confident | 212 Ų | 212 | 96.6 Ų | 96.6 | 80% | 0.8 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -38.7 | 179.1 | -176.1 | 175.8 | 175 | -85.3 | 3.2 | 111.3 | T164 S165 | R161-T164 PolarHBondContact O-OG1 2.91Å; R161-S165 PolarHBondContact O-N 2.83Å |
| 162 | E | 84.3 | Confident | 79.4 | Confident | 151 Ų | 151 | 98 Ų | 98 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -49.4 | 178.9 | -68.1 | 165.8 | -166.1 | 0 | 0 | 113.4 | T160 T164 S165 | T160-E162 PolarHBondContact O-N 3.29Å; T160-E162 VanDerWaalsContact O-N 3.14Å; E162-T164 VanDerWaalsContact C-N 3.26Å; E162-T164 PolarHBondContact O-N 3.27Å; E162-S165 WeakPolarHBondContact O-CA 3.38Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.2Å |
| 163 | T | 89.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 101.9 Ų | 101.9 | 20% | 0.196 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 179.3 | 61 | 0 | 0 | 0 | 0 | 111.7 | T160 S165 T192 | T160-T163 PolarHBondContact N-OG1 3.22Å; T160-T163 PolarHBondContact O-N 3.09Å; T160-T163 PolarHBondContact O-OG1 3.28Å; T160-T163 PolarHBondContact OG1-N 3.33Å; T160-T163 PolarHBondContact OG1-OG1 2.92Å; T163-S165 PolarHBondContact O-N 3.31Å; T163-T192 WeakPolarHBondContact CG2-O 3.36Å; T163-T192 VanDerWaalsContact O-CG2 3.25Å; T163-T192 WeakPolarHBondContact O-CG2 3.37Å |
| 164 | T | 92.8 | Very high | 83.7 | Confident | 19 Ų | 19 | 100.4 Ų | 100.4 | 12% | 0.117 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -73.1 | -11.4 | 170.1 | 72.3 | 0 | 0 | 0 | 0 | 114.1 | A159 T160 R161 E162 K168 | A159-T164 HydrophobicContact CB-CG2 3.82Å; T160-T164 PolarHBondContact O-N 2.95Å; T160-T164 VanDerWaalsContact O-N 3.12Å; R161-T164 PolarHBondContact O-OG1 2.91Å; E162-T164 VanDerWaalsContact C-N 3.26Å; E162-T164 PolarHBondContact O-N 3.27Å; T164-K168 WeakPolarHBondContact O-CD 3.08Å; T164-K168 WeakPolarHBondContact O-CG 3.46Å; T164-K168 PolarHBondContact O-N 3.37Å; T164-K168 PolarHBondContact OG1-NZ 3.28Å |
| 165 | S | 96 | Very high | 85.6 | Confident | 59 Ų | 59 | 99.6 Ų | 99.6 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.6 | -51.2 | -179.8 | -154.7 | 0 | 0 | 0 | 0 | 110.6 | R161 E162 T163 L167 K168 T169 | R161-S165 PolarHBondContact O-N 2.83Å; E162-S165 WeakPolarHBondContact O-CA 3.38Å; E162-S165 WeakPolarHBondContact O-CB 3.41Å; E162-S165 PolarHBondContact O-N 3.2Å; T163-S165 PolarHBondContact O-N 3.31Å; S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.12Å; S165-K168 WeakPolarHBondContact O-CA 3.39Å; S165-K168 WeakPolarHBondContact O-CB 3.41Å; S165-K168 PolarHBondContact O-N 3.27Å; S165-T169 PolarHBondContact O-N 3.25Å; S165-T169 PolarHBondContact O-OG1 2.88Å |
| 166 | T | 96.3 | Very high | 87.3 | Confident | 49 Ų | 49 | 98.3 Ų | 98.3 | 30% | 0.301 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -54.8 | -43.2 | 175.8 | -45.3 | 0 | 0 | 0 | 0 | 112 | K168 T169 W170 L188 I191 | T166-K168 VanDerWaalsContact C-N 3.3Å; T166-K168 PolarHBondContact O-N 3.45Å; T166-T169 PolarHBondContact O-N 3.34Å; T166-W170 PolarHBondContact O-N 3.05Å; T166-L188 HydrophobicContact CG2-CD2 3.91Å; T166-I191 HydrophobicContact CG2-CG2 3.88Å |
| 167 | L | 96.9 | Very high | 89 | Confident | 0 Ų | 0 | 91.8 Ų | 91.8 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.1 | -32.7 | 176.9 | -56.8 | 178.7 | 0 | 0 | 0 | 112.8 | S165 L171 L188 T192 M194 V199 W202 F203 | S165-L167 VanDerWaalsContact C-N 3.27Å; S165-L167 PolarHBondContact O-N 3.12Å; L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 PolarHBondContact O-N 2.92Å; L167-L171 VanDerWaalsContact O-N 3.17Å; L167-L188 HydrophobicContact CD2-CB 4.13Å; L167-L188 HydrophobicContact CD2-CD1 4.48Å; L167-L188 HydrophobicContact CD2-CD2 4.39Å; L167-T192 HydrophobicContact CD2-CG2 3.9Å; L167-T192 HydrophobicContact CG-CG2 3.94Å; L167-M194 HydrophobicContact CD1-CE 4.25Å; L167-M194 HydrophobicContact CD1-SD 4.02Å; L167-V199 HydrophobicContact CD2-CG1 4.23Å; L167-W202 HydrophobicContact CB-CD2 4.07Å; L167-W202 HydrophobicContact CB-CE3 3.83Å; L167-W202 HydrophobicContact CB-CH2 3.6Å; L167-W202 HydrophobicContact CB-CZ2 3.81Å; L167-W202 HydrophobicContact CB-CZ3 3.6Å; L167-W202 HydrophobicContact CD1-CB 4.34Å; L167-W202 HydrophobicContact CD1-CD2 3.65Å; L167-W202 HydrophobicContact CD1-CE3 4.07Å; L167-W202 HydrophobicContact CD1-CG 3.75Å; L167-W202 HydrophobicContact CD1-CZ2 4.49Å; L167-W202 HydrophobicContact CG-CD2 4.47Å; L167-W202 HydrophobicContact CG-CE3 4.47Å; L167-F203 HydrophobicContact CD2-CE2 3.94Å; L167-F203 HydrophobicContact CD2-CZ 4.32Å |
| 168 | K | 95.5 | Very high | 90.5 | Very high | 105 Ų | 105 | 83.5 Ų | 83.5 | 46% | 0.457 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -75.3 | -37.9 | 174.9 | -71.2 | 159.3 | -171.2 | 154.5 | 0 | 112.2 | T164 S165 T166 L171 Y172 W202 | T164-K168 WeakPolarHBondContact O-CD 3.08Å; T164-K168 WeakPolarHBondContact O-CG 3.46Å; T164-K168 PolarHBondContact O-N 3.37Å; T164-K168 PolarHBondContact OG1-NZ 3.28Å; S165-K168 WeakPolarHBondContact O-CA 3.39Å; S165-K168 WeakPolarHBondContact O-CB 3.41Å; S165-K168 PolarHBondContact O-N 3.27Å; T166-K168 VanDerWaalsContact C-N 3.3Å; T166-K168 PolarHBondContact O-N 3.45Å; K168-L171 CarbonylContact O-C 3.18Å; K168-L171 PolarHBondContact O-N 3.39Å; K168-Y172 WeakPolarHBondContact O-CB 3.23Å; K168-Y172 PolarHBondContact O-N 2.78Å; K168-W202 HydrophobicContact CG-CH2 4.12Å; K168-W202 HydrophobicContact CG-CZ2 4.14Å |
| 169 | T | 96.9 | Very high | 91.9 | Very high | 88 Ų | 88 | 83 Ų | 83 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -54.2 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | S165 T166 L171 Y172 E173 | S165-T169 PolarHBondContact O-N 3.25Å; S165-T169 PolarHBondContact O-OG1 2.88Å; T166-T169 PolarHBondContact O-N 3.34Å; T169-L171 VanDerWaalsContact C-N 3.27Å; T169-L171 PolarHBondContact O-N 3.14Å; T169-Y172 WeakPolarHBondContact O-CA 3.4Å; T169-Y172 WeakPolarHBondContact O-CB 3.33Å; T169-Y172 PolarHBondContact O-N 2.92Å; T169-E173 PolarHBondContact O-N 3.31Å |
| 170 | W | 97.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 81.3 Ų | 81.3 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.1 | -38.9 | 176.7 | -173.5 | 94.6 | 0 | 0 | 0 | 111.7 | T166 Y172 E173 H174 P178 P180 E184 L188 F203 | T166-W170 PolarHBondContact O-N 3.05Å; W170-Y172 VanDerWaalsContact C-N 3.27Å; W170-Y172 PolarHBondContact O-N 2.9Å; W170-E173 PolarHBondContact O-N 3.34Å; W170-H174 AromaticContact CD1-CE1 3.77Å; W170-H174 AromaticContact CD1-ND1 3.58Å; W170-H174 HydrophobicContact CD2-CB 4.22Å; W170-H174 AromaticContact CD2-CG 3.97Å; W170-H174 AromaticContact CD2-ND1 3.6Å; W170-H174 AromaticContact CE2-CE1 3.72Å; W170-H174 AromaticContact CE2-CG 3.49Å; W170-H174 VanDerWaalsContact CE2-CG 3.49Å; W170-H174 AromaticContact CE2-ND1 3.27Å; W170-H174 VanDerWaalsContact CE2-ND1 3.27Å; W170-H174 HydrophobicContact CE3-CB 4.03Å; W170-H174 AromaticContact CG-ND1 3.79Å; W170-H174 HydrophobicContact CH2-CB 3.55Å; W170-H174 AromaticContact CH2-CG 3.73Å; W170-H174 HydrophobicContact CZ2-CB 3.76Å; W170-H174 AromaticContact CZ2-CD2 3.66Å; W170-H174 AromaticContact CZ2-CG 3.36Å; W170-H174 AromaticContact CZ2-ND1 3.67Å; W170-H174 HydrophobicContact CZ3-CB 3.72Å; W170-H174 AromaticContact NE1-CE1 3.34Å; W170-H174 PolarHBondContact NE1-CE1 3.07Å; W170-H174 VanDerWaalsContact NE1-CE1 3.34Å; W170-H174 AromaticContact NE1-CG 3.94Å; W170-H174 AromaticContact NE1-ND1 3.29Å; W170-H174 PolarHBondContact NE1-ND1 3.13Å; W170-H174 AromaticContact NE1-NE2 3.99Å; W170-H174 VanDerWaalsContact O-CB 3.31Å; W170-H174 WeakPolarHBondContact O-CB 3.47Å; W170-H174 PolarHBondContact O-N 3.29Å; W170-H174 PolarHBondContact O-ND1 3.28Å; W170-P178 HydrophobicContact CZ3-CB 4.12Å; W170-P180 VanDerWaalsContact CH2-CA 3.48Å; W170-P180 HydrophobicContact CH2-CB 3.62Å; W170-P180 HydrophobicContact CH2-CG 4.11Å; W170-P180 HydrophobicContact CZ2-CB 3.61Å; W170-P180 HydrophobicContact CZ3-CB 4.13Å; W170-P180 HydrophobicContact CZ3-CG 4.25Å; W170-E184 VanDerWaalsContact CE2-OE1 3.28Å; W170-E184 VanDerWaalsContact CZ2-OE1 3.28Å; W170-E184 WeakPolarHBondContact CZ2-OE1 3.25Å; W170-E184 PolarHBondContact NE1-OE1 2.97Å; W170-L188 HydrophobicContact CB-CD1 4.34Å; W170-L188 HydrophobicContact CB-CD2 4.19Å; W170-L188 HydrophobicContact CD2-CD1 4.06Å; W170-L188 HydrophobicContact CG-CD1 3.91Å; W170-L188 HydrophobicContact CG-CD2 4.39Å; W170-F203 HydrophobicContact CD2-CE1 4.48Å; W170-F203 HydrophobicContact CD2-CZ 4.19Å; W170-F203 HydrophobicContact CE3-CD1 4.38Å; W170-F203 AromaticContact CE3-CE1 3.34Å; W170-F203 HydrophobicContact CE3-CE1 3.34Å; W170-F203 AromaticContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CE3-CZ 3.42Å; W170-F203 VanDerWaalsContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CZ3-CD1 4.18Å; W170-F203 AromaticContact CZ3-CE1 3.54Å; W170-F203 HydrophobicContact CZ3-CE1 3.54Å; W170-F203 AromaticContact CZ3-CZ 3.94Å; W170-F203 HydrophobicContact CZ3-CZ 3.94Å |
| 171 | L | 96.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.1 | -20.2 | 174.4 | -179.4 | 62.7 | 0 | 0 | 0 | 114.1 | L167 K168 T169 R175 P178 W202 F203 A206 L210 | L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 PolarHBondContact O-N 2.92Å; L167-L171 VanDerWaalsContact O-N 3.17Å; K168-L171 CarbonylContact O-C 3.18Å; K168-L171 PolarHBondContact O-N 3.39Å; T169-L171 VanDerWaalsContact C-N 3.27Å; T169-L171 PolarHBondContact O-N 3.14Å; L171-R175 WeakPolarHBondContact O-CD 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.14Å; L171-R175 PolarHBondContact O-NE 3.24Å; L171-P178 HydrophobicContact CD1-CB 3.55Å; L171-P178 HydrophobicContact CD1-CG 4.31Å; L171-W202 HydrophobicContact CB-CZ3 4.5Å; L171-W202 HydrophobicContact CD2-CH2 3.83Å; L171-W202 HydrophobicContact CD2-CZ3 3.89Å; L171-F203 HydrophobicContact CB-CE1 4.16Å; L171-F203 HydrophobicContact CD1-CE1 4.37Å; L171-A206 HydrophobicContact CD2-CB 3.76Å; L171-L210 HydrophobicContact CD1-CD2 4.15Å; L171-L210 HydrophobicContact CD2-CD1 4.31Å; L171-L210 HydrophobicContact CG-CD2 4.49Å |
| 172 | Y | 94.4 | Very high | 94.6 | Very high | 175 Ų | 175 | 80.2 Ų | 80.2 | 69% | 0.686 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -86.8 | -37.4 | 175.2 | -178.9 | -93.8 | 0 | 0 | 0 | 111.8 | K168 T169 W170 R175 | K168-Y172 WeakPolarHBondContact O-CB 3.23Å; K168-Y172 PolarHBondContact O-N 2.78Å; T169-Y172 WeakPolarHBondContact O-CA 3.4Å; T169-Y172 WeakPolarHBondContact O-CB 3.33Å; T169-Y172 PolarHBondContact O-N 2.92Å; W170-Y172 VanDerWaalsContact C-N 3.27Å; W170-Y172 PolarHBondContact O-N 2.9Å; Y172-R175 WeakPolarHBondContact O-CG 3.48Å |
| 173 | E | 96.4 | Very high | 95.3 | Very high | 138 Ų | 138 | 75.2 Ų | 75.2 | 65% | 0.645 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.2 | -53 | 170.7 | -173.8 | 174.7 | -147.2 | 0 | 0 | 110.8 | T169 W170 R175 | T169-E173 PolarHBondContact O-N 3.31Å; W170-E173 PolarHBondContact O-N 3.34Å; E173-R175 PolarHBondContact O-N 3.18Å |
| 174 | H | 94.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 75.6 Ų | 75.6 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 33.9 | -176.8 | -64.1 | 79.3 | 0 | 0 | 0 | 113.3 | W170 K176 N177 P178 E184 | W170-H174 AromaticContact CD1-CE1 3.77Å; W170-H174 AromaticContact CD1-ND1 3.58Å; W170-H174 HydrophobicContact CD2-CB 4.22Å; W170-H174 AromaticContact CD2-CG 3.97Å; W170-H174 AromaticContact CD2-ND1 3.6Å; W170-H174 AromaticContact CE2-CE1 3.72Å; W170-H174 AromaticContact CE2-CG 3.49Å; W170-H174 VanDerWaalsContact CE2-CG 3.49Å; W170-H174 AromaticContact CE2-ND1 3.27Å; W170-H174 VanDerWaalsContact CE2-ND1 3.27Å; W170-H174 HydrophobicContact CE3-CB 4.03Å; W170-H174 AromaticContact CG-ND1 3.79Å; W170-H174 HydrophobicContact CH2-CB 3.55Å; W170-H174 AromaticContact CH2-CG 3.73Å; W170-H174 HydrophobicContact CZ2-CB 3.76Å; W170-H174 AromaticContact CZ2-CD2 3.66Å; W170-H174 AromaticContact CZ2-CG 3.36Å; W170-H174 AromaticContact CZ2-ND1 3.67Å; W170-H174 HydrophobicContact CZ3-CB 3.72Å; W170-H174 AromaticContact NE1-CE1 3.34Å; W170-H174 PolarHBondContact NE1-CE1 3.07Å; W170-H174 VanDerWaalsContact NE1-CE1 3.34Å; W170-H174 AromaticContact NE1-CG 3.94Å; W170-H174 AromaticContact NE1-ND1 3.29Å; W170-H174 PolarHBondContact NE1-ND1 3.13Å; W170-H174 AromaticContact NE1-NE2 3.99Å; W170-H174 VanDerWaalsContact O-CB 3.31Å; W170-H174 WeakPolarHBondContact O-CB 3.47Å; W170-H174 PolarHBondContact O-N 3.29Å; W170-H174 PolarHBondContact O-ND1 3.28Å; H174-K176 PolarHBondContact O-N 2.74Å; H174-N177 CarbonylContact O-C 3.59Å; H174-N177 PolarHBondContact O-N 2.61Å; H174-P178 WeakPolarHBondContact O-CA 3.36Å; H174-P178 WeakPolarHBondContact O-CB 3.25Å; H174-E184 IonicContact CE1-OE1 3.9Å; H174-E184 IonicContact NE2-OE1 3.7Å |
| 175 | R | 91.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.9 | -179.7 | -82.2 | -77.1 | 159.7 | 141.3 | 10.9 | 113.7 | L171 Y172 E173 M216 W218 | L171-R175 WeakPolarHBondContact O-CD 3.3Å; L171-R175 WeakPolarHBondContact O-CG 3.14Å; L171-R175 PolarHBondContact O-NE 3.24Å; Y172-R175 WeakPolarHBondContact O-CG 3.48Å; E173-R175 PolarHBondContact O-N 3.18Å; R175-M216 HydrophobicContact CB-CE 4.47Å; R175-M216 HydrophobicContact CB-SD 4.09Å; R175-M216 WeakPolarHBondContact O-CE 3.41Å; R175-M216 VanDerWaalsContact O-SD 3.32Å; R175-W218 WeakPolarHBondContact O-CH2 3.06Å; R175-W218 WeakPolarHBondContact O-CZ2 3.2Å |
| 176 | K | 89.8 | Confident | 96 | Very high | 193 Ų | 193 | 78.1 Ų | 78.1 | 84% | 0.839 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -19.8 | 178.4 | -65.1 | -176.9 | -177.9 | 177.4 | 0 | 114 | H174 W218 | H174-K176 PolarHBondContact O-N 2.74Å; K176-W218 VanDerWaalsContact O-CZ3 3.25Å; K176-W218 WeakPolarHBondContact O-CZ3 3.24Å |
| 177 | N | 92.1 | Very high | 96.1 | Very high | 99 Ų | 99 | 80.3 Ų | 80.3 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | | | trans | -163.9 | 93.2 | 177.6 | -174 | 13.6 | 0 | 0 | 0 | 111.3 | H174 Y179 | H174-N177 CarbonylContact O-C 3.59Å; H174-N177 PolarHBondContact O-N 2.61Å; N177-Y179 VanDerWaalsContact C-N 3.25Å; N177-Y179 PolarHBondContact O-N 2.68Å; N177-Y179 VanDerWaalsContact OD1-CD2 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.28Å |
| 178 | P | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | | | trans | -102.4 | 42.7 | -164.6 | 15.1 | 11.7 | 0 | 0 | 0 | 108.6 | W170 L171 H174 P180 R207 W218 | W170-P178 HydrophobicContact CZ3-CB 4.12Å; L171-P178 HydrophobicContact CD1-CB 3.55Å; L171-P178 HydrophobicContact CD1-CG 4.31Å; H174-P178 WeakPolarHBondContact O-CA 3.36Å; H174-P178 WeakPolarHBondContact O-CB 3.25Å; P178-P180 VanDerWaalsContact O-CD 3.23Å; P178-P180 WeakPolarHBondContact O-CD 3.3Å; P178-R207 HydrophobicContact CB-CG 4.3Å; P178-R207 HydrophobicContact CG-CG 4.09Å; P178-R207 WeakPolarHBondContact O-CD 3.5Å; P178-R207 PolarHBondContact O-NH1 2.82Å; P178-W218 HydrophobicContact CG-CH2 3.27Å; P178-W218 HydrophobicContact CG-CZ2 3.19Å; P178-W218 HydrophobicContact CG-CZ3 4.3Å |
| 179 | Y | 97.1 | Very high | 96.2 | Very high | 141 Ų | 141 | 76 Ų | 76 | 55% | 0.553 | 37% | 0.368 | S | S | * | . | | | trans | -106.6 | 83.1 | 177.5 | -73.5 | -107 | 0 | 0 | 0 | 106.2 | N177 T181 R207 | N177-Y179 VanDerWaalsContact C-N 3.25Å; N177-Y179 PolarHBondContact O-N 2.68Å; N177-Y179 VanDerWaalsContact OD1-CD2 3.28Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.28Å; Y179-T181 PolarHBondContact O-N 3.28Å; Y179-R207 VanDerWaalsContact CE1-NH2 3.29Å; Y179-R207 VanDerWaalsContact CE2-CD 3.46Å; Y179-R207 VanDerWaalsContact CZ-NE 3.29Å |
| 180 | P | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | | | trans | -59.9 | 134.5 | -175.6 | 23.6 | -33.3 | 0 | 0 | 0 | 109.9 | W170 P178 E184 L188 F203 | W170-P180 VanDerWaalsContact CH2-CA 3.48Å; W170-P180 HydrophobicContact CH2-CB 3.62Å; W170-P180 HydrophobicContact CH2-CG 4.11Å; W170-P180 HydrophobicContact CZ2-CB 3.61Å; W170-P180 HydrophobicContact CZ3-CB 4.13Å; W170-P180 HydrophobicContact CZ3-CG 4.25Å; P178-P180 VanDerWaalsContact O-CD 3.23Å; P178-P180 WeakPolarHBondContact O-CD 3.3Å; P180-E184 HydrophobicContact CB-CB 3.97Å; P180-L188 HydrophobicContact CB-CD1 4.48Å; P180-F203 HydrophobicContact CG-CD2 3.86Å; P180-F203 HydrophobicContact CG-CE2 4.03Å; P180-F203 HydrophobicContact CG-CG 4.15Å; P180-F203 HydrophobicContact CG-CZ 4.48Å |
| 181 | T | 98.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 81.4 Ų | 81.4 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | | | trans | -59.3 | 169.7 | 177 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | Y179 G183 E184 K185 | Y179-T181 PolarHBondContact O-N 3.28Å; T181-G183 VanDerWaalsContact C-N 3.26Å; T181-G183 PolarHBondContact O-N 3.37Å; T181-E184 VanDerWaalsContact CB-OE2 3.3Å; T181-E184 WeakPolarHBondContact CB-OE2 3.38Å; T181-E184 VanDerWaalsContact CG2-OE2 3.28Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.32Å; T181-E184 PolarHBondContact N-OE2 2.95Å; T181-E184 PolarHBondContact O-N 2.96Å; T181-E184 VanDerWaalsContact OG1-CG 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.28Å; T181-E184 PolarHBondContact OG1-N 3.31Å; T181-E184 PolarHBondContact OG1-OE2 3.45Å; T181-K185 WeakPolarHBondContact O-CB 3.42Å; T181-K185 PolarHBondContact O-N 2.86Å |
| 182 | K | 97.8 | Very high | 96.2 | Very high | 186 Ų | 186 | 81 Ų | 81 | 81% | 0.809 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -53.4 | -45 | 176.4 | -167.9 | 177.1 | -179.3 | -178.6 | 0 | 111.2 | I186 | K182-I186 WeakPolarHBondContact O-CD1 3.04Å; K182-I186 VanDerWaalsContact O-CG1 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.27Å; K182-I186 PolarHBondContact O-N 3.34Å |
| 183 | G | 98.2 | Very high | 96.3 | Very high | 46 Ų | 46 | 81.9 Ų | 81.9 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.2 | -50.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T181 K185 I186 M187 | T181-G183 VanDerWaalsContact C-N 3.26Å; T181-G183 PolarHBondContact O-N 3.37Å; G183-K185 VanDerWaalsContact C-N 3.3Å; G183-K185 PolarHBondContact O-N 3.38Å; G183-I186 WeakPolarHBondContact O-CB 3.2Å; G183-I186 PolarHBondContact O-N 3.38Å; G183-I186 VanDerWaalsContact O-N 3.09Å; G183-M187 PolarHBondContact O-N 2.98Å |
| 184 | E | 98 | Very high | 96.2 | Very high | 40 Ų | 40 | 76.5 Ų | 76.5 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 180 | -67.7 | 167 | 109.3 | 0 | 0 | 112.5 | W170 H174 P180 T181 I186 M187 L188 | W170-E184 VanDerWaalsContact CE2-OE1 3.28Å; W170-E184 VanDerWaalsContact CZ2-OE1 3.28Å; W170-E184 WeakPolarHBondContact CZ2-OE1 3.25Å; W170-E184 PolarHBondContact NE1-OE1 2.97Å; H174-E184 IonicContact CE1-OE1 3.9Å; H174-E184 IonicContact NE2-OE1 3.7Å; P180-E184 HydrophobicContact CB-CB 3.97Å; T181-E184 VanDerWaalsContact CB-OE2 3.3Å; T181-E184 WeakPolarHBondContact CB-OE2 3.38Å; T181-E184 VanDerWaalsContact CG2-OE2 3.28Å; T181-E184 WeakPolarHBondContact CG2-OE2 3.32Å; T181-E184 PolarHBondContact N-OE2 2.95Å; T181-E184 PolarHBondContact O-N 2.96Å; T181-E184 VanDerWaalsContact OG1-CG 3.27Å; T181-E184 WeakPolarHBondContact OG1-CG 3.28Å; T181-E184 PolarHBondContact OG1-N 3.31Å; T181-E184 PolarHBondContact OG1-OE2 3.45Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.22Å; E184-M187 PolarHBondContact O-N 2.87Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.04Å |
| 185 | K | 97.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 77.6 Ų | 77.6 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 177.2 | -159.8 | -170.7 | -63.4 | -177.3 | 0 | 111.7 | T181 G183 A189 L196 V199 S200 | T181-K185 WeakPolarHBondContact O-CB 3.42Å; T181-K185 PolarHBondContact O-N 2.86Å; G183-K185 VanDerWaalsContact C-N 3.3Å; G183-K185 PolarHBondContact O-N 3.38Å; K185-A189 VanDerWaalsContact O-CB 3.28Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 3.43Å; K185-A189 VanDerWaalsContact O-N 3.07Å; K185-L196 HydrophobicContact CB-CD1 3.99Å; K185-L196 HydrophobicContact CD-CD1 3.79Å; K185-L196 HydrophobicContact CD-CG 3.91Å; K185-L196 HydrophobicContact CG-CD1 3.68Å; K185-L196 HydrophobicContact CG-CG 4.3Å; K185-V199 HydrophobicContact CG-CB 4.39Å; K185-V199 HydrophobicContact CG-CG1 3.91Å; K185-S200 PolarHBondContact NZ-OG 3.23Å |
| 186 | I | 97.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 78.1 Ų | 78.1 | 41% | 0.41 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.8 | -48.7 | 172.9 | -66.6 | 164.2 | 0 | 0 | 0 | 110.3 | K182 G183 E184 L188 A189 I190 L196 | K182-I186 WeakPolarHBondContact O-CD1 3.04Å; K182-I186 VanDerWaalsContact O-CG1 3.32Å; K182-I186 WeakPolarHBondContact O-CG1 3.27Å; K182-I186 PolarHBondContact O-N 3.34Å; G183-I186 WeakPolarHBondContact O-CB 3.2Å; G183-I186 PolarHBondContact O-N 3.38Å; G183-I186 VanDerWaalsContact O-N 3.09Å; E184-I186 VanDerWaalsContact C-N 3.26Å; E184-I186 PolarHBondContact O-N 3.22Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.85Å; I186-A189 WeakPolarHBondContact O-CB 3.17Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; I186-I190 HydrophobicContact CG2-CD1 3.86Å; I186-I190 WeakPolarHBondContact O-CG1 3.45Å; I186-I190 PolarHBondContact O-N 2.97Å; I186-L196 HydrophobicContact CG1-CD1 3.91Å |
| 187 | M | 98.2 | Very high | 97 | Very high | 94 Ų | 94 | 73.8 Ų | 73.8 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.9 | -47.5 | 176.8 | -179.1 | -179.5 | 70.1 | 0 | 0 | 111.8 | G183 E184 A189 I190 I191 | G183-M187 PolarHBondContact O-N 2.98Å; E184-M187 PolarHBondContact O-N 2.87Å; M187-A189 PolarHBondContact O-N 3.39Å; M187-I190 PolarHBondContact O-N 3.25Å; M187-I191 HydrophobicContact CG-CD1 3.74Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 2.88Å |
| 188 | L | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 177.4 | -68.3 | 170.9 | 0 | 0 | 0 | 111.8 | T166 L167 W170 P180 E184 I186 T192 V199 F203 | T166-L188 HydrophobicContact CG2-CD2 3.91Å; L167-L188 HydrophobicContact CD2-CB 4.13Å; L167-L188 HydrophobicContact CD2-CD1 4.48Å; L167-L188 HydrophobicContact CD2-CD2 4.39Å; W170-L188 HydrophobicContact CB-CD1 4.34Å; W170-L188 HydrophobicContact CB-CD2 4.19Å; W170-L188 HydrophobicContact CD2-CD1 4.06Å; W170-L188 HydrophobicContact CG-CD1 3.91Å; W170-L188 HydrophobicContact CG-CD2 4.39Å; P180-L188 HydrophobicContact CB-CD1 4.48Å; E184-L188 WeakPolarHBondContact O-CB 3.5Å; E184-L188 VanDerWaalsContact O-CG 3.23Å; E184-L188 WeakPolarHBondContact O-CG 3.46Å; E184-L188 PolarHBondContact O-N 3.04Å; I186-L188 VanDerWaalsContact C-N 3.34Å; I186-L188 PolarHBondContact O-N 2.85Å; L188-T192 VanDerWaalsContact O-CB 3.3Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 VanDerWaalsContact O-CG2 3.28Å; L188-T192 WeakPolarHBondContact O-CG2 3.34Å; L188-T192 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-OG1 3.2Å; L188-V199 HydrophobicContact CB-CG1 4.22Å; L188-F203 HydrophobicContact CD1-CE2 3.77Å; L188-F203 HydrophobicContact CD1-CZ 3.9Å |
| 189 | A | 97.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 73.7 Ų | 73.7 | 11% | 0.107 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | K185 I186 M187 K193 M194 V199 | K185-A189 VanDerWaalsContact O-CB 3.28Å; K185-A189 WeakPolarHBondContact O-CB 3.44Å; K185-A189 PolarHBondContact O-N 3.43Å; K185-A189 VanDerWaalsContact O-N 3.07Å; I186-A189 WeakPolarHBondContact O-CB 3.17Å; I186-A189 PolarHBondContact O-N 3.36Å; I186-A189 VanDerWaalsContact O-N 3.13Å; M187-A189 PolarHBondContact O-N 3.39Å; A189-K193 WeakPolarHBondContact O-CA 3.31Å; A189-K193 PolarHBondContact O-N 3.05Å; A189-M194 WeakPolarHBondContact CA-O 3.14Å; A189-M194 VanDerWaalsContact CB-O 3.25Å; A189-M194 WeakPolarHBondContact CB-O 3.46Å; A189-M194 PolarHBondContact O-N 2.93Å; A189-M194 VanDerWaalsContact O-N 3.14Å; A189-V199 HydrophobicContact CB-CG2 4.07Å |
| 190 | I | 97.4 | Very high | 97.3 | Very high | 121 Ų | 121 | 69.2 Ų | 69.2 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -54.8 | 176.9 | -66.2 | 165.3 | 0 | 0 | 0 | 110.8 | I186 M187 T192 K193 | I186-I190 HydrophobicContact CG2-CD1 3.86Å; I186-I190 WeakPolarHBondContact O-CG1 3.45Å; I186-I190 PolarHBondContact O-N 2.97Å; M187-I190 PolarHBondContact O-N 3.25Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.17Å; I190-K193 PolarHBondContact O-N 3.18Å |
| 191 | I | 96.7 | Very high | 97.3 | Very high | 92 Ų | 92 | 72.6 Ų | 72.6 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | -176.5 | -64.6 | 166 | 0 | 0 | 0 | 111.3 | T166 M187 K193 | T166-I191 HydrophobicContact CG2-CG2 3.88Å; M187-I191 HydrophobicContact CG-CD1 3.74Å; M187-I191 WeakPolarHBondContact O-CG1 3.49Å; M187-I191 PolarHBondContact O-N 2.88Å; I191-K193 VanDerWaalsContact C-N 3.33Å |
| 192 | T | 96.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -85.4 | -6 | -177.5 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | T163 L167 L188 I190 M194 | T163-T192 WeakPolarHBondContact CG2-O 3.36Å; T163-T192 VanDerWaalsContact O-CG2 3.25Å; T163-T192 WeakPolarHBondContact O-CG2 3.37Å; L167-T192 HydrophobicContact CD2-CG2 3.9Å; L167-T192 HydrophobicContact CG-CG2 3.94Å; L188-T192 VanDerWaalsContact O-CB 3.3Å; L188-T192 WeakPolarHBondContact O-CB 3.28Å; L188-T192 VanDerWaalsContact O-CG2 3.28Å; L188-T192 WeakPolarHBondContact O-CG2 3.34Å; L188-T192 PolarHBondContact O-N 3.39Å; L188-T192 PolarHBondContact O-OG1 3.2Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.17Å; T192-M194 PolarHBondContact O-N 3.19Å; T192-M194 WeakPolarHBondContact OG1-CB 3.4Å |
| 193 | K | 96.1 | Very high | 97.2 | Very high | 193 Ų | 193 | 62.7 Ų | 62.7 | 84% | 0.839 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 34.5 | -174.3 | -55.6 | 178.8 | -177.5 | 178.1 | 0 | 112.3 | A189 I190 I191 | A189-K193 WeakPolarHBondContact O-CA 3.31Å; A189-K193 PolarHBondContact O-N 3.05Å; I190-K193 PolarHBondContact O-N 3.18Å; I191-K193 VanDerWaalsContact C-N 3.33Å |
| 194 | M | 94.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 61.8 Ų | 61.8 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | | | trans | -109.9 | 149.1 | 178.1 | -69.3 | 174.8 | 57.5 | 0 | 0 | 109.6 | A159 L167 A189 T192 Q198 V199 | A159-M194 HydrophobicContact CB-SD 4.28Å; L167-M194 HydrophobicContact CD1-CE 4.25Å; L167-M194 HydrophobicContact CD1-SD 4.02Å; A189-M194 WeakPolarHBondContact CA-O 3.14Å; A189-M194 VanDerWaalsContact CB-O 3.25Å; A189-M194 WeakPolarHBondContact CB-O 3.46Å; A189-M194 PolarHBondContact O-N 2.93Å; A189-M194 VanDerWaalsContact O-N 3.14Å; T192-M194 PolarHBondContact O-N 3.19Å; T192-M194 WeakPolarHBondContact OG1-CB 3.4Å; M194-Q198 HydrophobicContact CB-CB 4.2Å; M194-Q198 HydrophobicContact CE-CB 3.8Å; M194-V199 HydrophobicContact CB-CG2 3.93Å |
| 195 | T | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | | | trans | -68.4 | 153.8 | 177.4 | 73.8 | 0 | 0 | 0 | 0 | 111.3 | T197 Q198 V199 | T195-T197 PolarHBondContact O-N 3.19Å; T195-T197 VanDerWaalsContact O-N 3.12Å; T195-Q198 WeakPolarHBondContact O-CA 3.29Å; T195-Q198 WeakPolarHBondContact O-CB 3.2Å; T195-Q198 PolarHBondContact O-N 3.01Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.32Å; T195-Q198 PolarHBondContact OG1-N 3.48Å; T195-V199 PolarHBondContact O-N 3.35Å |
| 196 | L | 97 | Very high | 97 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -51.7 | -38.8 | 177.3 | -163.2 | 76.7 | 0 | 0 | 0 | 111.9 | K185 I186 V199 S200 | K185-L196 HydrophobicContact CB-CD1 3.99Å; K185-L196 HydrophobicContact CD-CD1 3.79Å; K185-L196 HydrophobicContact CD-CG 3.91Å; K185-L196 HydrophobicContact CG-CD1 3.68Å; K185-L196 HydrophobicContact CG-CG 4.3Å; I186-L196 HydrophobicContact CG1-CD1 3.91Å; L196-V199 PolarHBondContact O-N 3.36Å; L196-S200 VanDerWaalsContact O-CB 3.29Å; L196-S200 WeakPolarHBondContact O-CB 3.42Å; L196-S200 PolarHBondContact O-N 3.26Å |
| 197 | T | 97.2 | Very high | 96.8 | Very high | 103 Ų | 103 | 59.6 Ų | 59.6 | 63% | 0.632 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 175.4 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | T195 T201 | T195-T197 PolarHBondContact O-N 3.19Å; T195-T197 VanDerWaalsContact O-N 3.12Å; T197-T201 VanDerWaalsContact O-CB 3.27Å; T197-T201 WeakPolarHBondContact O-CB 3.25Å; T197-T201 PolarHBondContact O-N 2.91Å; T197-T201 PolarHBondContact O-OG1 3.36Å |
| 198 | Q | 97.1 | Very high | 96.6 | Very high | 97 Ų | 97 | 63.3 Ų | 63.3 | 45% | 0.453 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.2 | -72.2 | 169 | -13.1 | 0 | 0 | 111.3 | M194 T195 T201 W202 | M194-Q198 HydrophobicContact CB-CB 4.2Å; M194-Q198 HydrophobicContact CE-CB 3.8Å; T195-Q198 WeakPolarHBondContact O-CA 3.29Å; T195-Q198 WeakPolarHBondContact O-CB 3.2Å; T195-Q198 PolarHBondContact O-N 3.01Å; T195-Q198 WeakPolarHBondContact OG1-CG 3.32Å; T195-Q198 PolarHBondContact OG1-N 3.48Å; Q198-T201 PolarHBondContact O-N 2.96Å; Q198-W202 WeakPolarHBondContact O-CB 3.45Å; Q198-W202 PolarHBondContact O-N 2.85Å |
| 199 | V | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 176 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | L167 K185 L188 A189 M194 T195 L196 T201 W202 F203 | L167-V199 HydrophobicContact CD2-CG1 4.23Å; K185-V199 HydrophobicContact CG-CB 4.39Å; K185-V199 HydrophobicContact CG-CG1 3.91Å; L188-V199 HydrophobicContact CB-CG1 4.22Å; A189-V199 HydrophobicContact CB-CG2 4.07Å; M194-V199 HydrophobicContact CB-CG2 3.93Å; T195-V199 PolarHBondContact O-N 3.35Å; L196-V199 PolarHBondContact O-N 3.36Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.04Å; V199-W202 PolarHBondContact O-N 2.89Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 3.8Å; V199-F203 WeakPolarHBondContact O-CD2 3.05Å; V199-F203 PolarHBondContact O-N 2.72Å |
| 200 | S | 97.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 176.8 | -153.2 | 0 | 0 | 0 | 0 | 111.8 | K185 L196 A204 | K185-S200 PolarHBondContact NZ-OG 3.23Å; L196-S200 VanDerWaalsContact O-CB 3.29Å; L196-S200 WeakPolarHBondContact O-CB 3.42Å; L196-S200 PolarHBondContact O-N 3.26Å; S200-A204 WeakPolarHBondContact O-CB 3.45Å; S200-A204 PolarHBondContact O-N 2.76Å |
| 201 | T | 97.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | T197 Q198 V199 A204 N205 | T197-T201 VanDerWaalsContact O-CB 3.27Å; T197-T201 WeakPolarHBondContact O-CB 3.25Å; T197-T201 PolarHBondContact O-N 2.91Å; T197-T201 PolarHBondContact O-OG1 3.36Å; Q198-T201 PolarHBondContact O-N 2.96Å; V199-T201 VanDerWaalsContact C-N 3.31Å; V199-T201 PolarHBondContact O-N 3.04Å; T201-A204 PolarHBondContact O-N 3.46Å; T201-N205 WeakPolarHBondContact O-CB 3.23Å; T201-N205 PolarHBondContact O-N 3.12Å |
| 202 | W | 97 | Very high | 94.7 | Very high | 57 Ų | 57 | 77.5 Ų | 77.5 | 22% | 0.216 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 177 | -170.6 | 100.2 | 0 | 0 | 0 | 110.9 | L167 K168 L171 Q198 V199 A204 N205 A206 | L167-W202 HydrophobicContact CB-CD2 4.07Å; L167-W202 HydrophobicContact CB-CE3 3.83Å; L167-W202 HydrophobicContact CB-CH2 3.6Å; L167-W202 HydrophobicContact CB-CZ2 3.81Å; L167-W202 HydrophobicContact CB-CZ3 3.6Å; L167-W202 HydrophobicContact CD1-CB 4.34Å; L167-W202 HydrophobicContact CD1-CD2 3.65Å; L167-W202 HydrophobicContact CD1-CE3 4.07Å; L167-W202 HydrophobicContact CD1-CG 3.75Å; L167-W202 HydrophobicContact CD1-CZ2 4.49Å; L167-W202 HydrophobicContact CG-CD2 4.47Å; L167-W202 HydrophobicContact CG-CE3 4.47Å; K168-W202 HydrophobicContact CG-CH2 4.12Å; K168-W202 HydrophobicContact CG-CZ2 4.14Å; L171-W202 HydrophobicContact CB-CZ3 4.5Å; L171-W202 HydrophobicContact CD2-CH2 3.83Å; L171-W202 HydrophobicContact CD2-CZ3 3.89Å; Q198-W202 WeakPolarHBondContact O-CB 3.45Å; Q198-W202 PolarHBondContact O-N 2.85Å; V199-W202 PolarHBondContact O-N 2.89Å; W202-A204 PolarHBondContact O-N 3.01Å; W202-N205 WeakPolarHBondContact O-CB 3.38Å; W202-N205 PolarHBondContact O-N 3.36Å; W202-N205 VanDerWaalsContact O-N 3.09Å; W202-A206 HydrophobicContact CE3-CB 4.08Å; W202-A206 HydrophobicContact CH2-CB 4.28Å; W202-A206 HydrophobicContact CZ3-CB 3.86Å; W202-A206 WeakPolarHBondContact O-CB 3.27Å; W202-A206 PolarHBondContact O-N 3.35Å |
| 203 | F | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.009 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.5 | -83.5 | -70.9 | 0 | 0 | 0 | 112.6 | L167 W170 L171 P180 L188 V199 N205 A206 R207 | L167-F203 HydrophobicContact CD2-CE2 3.94Å; L167-F203 HydrophobicContact CD2-CZ 4.32Å; W170-F203 HydrophobicContact CD2-CE1 4.48Å; W170-F203 HydrophobicContact CD2-CZ 4.19Å; W170-F203 HydrophobicContact CE3-CD1 4.38Å; W170-F203 AromaticContact CE3-CE1 3.34Å; W170-F203 HydrophobicContact CE3-CE1 3.34Å; W170-F203 AromaticContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CE3-CZ 3.42Å; W170-F203 VanDerWaalsContact CE3-CZ 3.42Å; W170-F203 HydrophobicContact CZ3-CD1 4.18Å; W170-F203 AromaticContact CZ3-CE1 3.54Å; W170-F203 HydrophobicContact CZ3-CE1 3.54Å; W170-F203 AromaticContact CZ3-CZ 3.94Å; W170-F203 HydrophobicContact CZ3-CZ 3.94Å; L171-F203 HydrophobicContact CB-CE1 4.16Å; L171-F203 HydrophobicContact CD1-CE1 4.37Å; P180-F203 HydrophobicContact CG-CD2 3.86Å; P180-F203 HydrophobicContact CG-CE2 4.03Å; P180-F203 HydrophobicContact CG-CG 4.15Å; P180-F203 HydrophobicContact CG-CZ 4.48Å; L188-F203 HydrophobicContact CD1-CE2 3.77Å; L188-F203 HydrophobicContact CD1-CZ 3.9Å; V199-F203 HydrophobicContact CG1-CD2 3.82Å; V199-F203 HydrophobicContact CG1-CE2 3.8Å; V199-F203 WeakPolarHBondContact O-CD2 3.05Å; V199-F203 PolarHBondContact O-N 2.72Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.29Å; F203-A206 PolarHBondContact O-N 3.09Å; F203-R207 WeakPolarHBondContact O-CG 3.27Å; F203-R207 PolarHBondContact O-N 2.82Å |
| 204 | A | 96.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 78.4 Ų | 78.4 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -30.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S200 T201 W202 R208 | S200-A204 WeakPolarHBondContact O-CB 3.45Å; S200-A204 PolarHBondContact O-N 2.76Å; T201-A204 PolarHBondContact O-N 3.46Å; W202-A204 PolarHBondContact O-N 3.01Å; A204-R208 VanDerWaalsContact C-NH1 3.25Å; A204-R208 WeakPolarHBondContact O-CD 3.44Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.32Å; A204-R208 PolarHBondContact O-NH1 3.39Å |
| 205 | N | 96.4 | Very high | 91.5 | Very high | 70 Ų | 70 | 83.7 Ų | 83.7 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.9 | -45 | 173.3 | -156.2 | -77.1 | 0 | 0 | 0 | 111.1 | T201 W202 F203 R208 R209 | T201-N205 WeakPolarHBondContact O-CB 3.23Å; T201-N205 PolarHBondContact O-N 3.12Å; W202-N205 WeakPolarHBondContact O-CB 3.38Å; W202-N205 PolarHBondContact O-N 3.36Å; W202-N205 VanDerWaalsContact O-N 3.09Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.29Å; N205-R208 PolarHBondContact O-N 2.9Å; N205-R209 WeakPolarHBondContact O-CG 3.43Å; N205-R209 PolarHBondContact O-N 2.84Å; N205-R209 VanDerWaalsContact O-N 3.11Å; N205-R209 VanDerWaalsContact OD1-CZ 3.28Å; N205-R209 PolarHBondContact OD1-NE 2.89Å; N205-R209 PolarHBondContact OD1-NH2 3.5Å |
| 206 | A | 95.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 82 Ų | 82 | 7% | 0.074 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L171 W202 F203 R208 R209 L210 | L171-A206 HydrophobicContact CD2-CB 3.76Å; W202-A206 HydrophobicContact CE3-CB 4.08Å; W202-A206 HydrophobicContact CH2-CB 4.28Å; W202-A206 HydrophobicContact CZ3-CB 3.86Å; W202-A206 WeakPolarHBondContact O-CB 3.27Å; W202-A206 PolarHBondContact O-N 3.35Å; F203-A206 PolarHBondContact O-N 3.09Å; A206-R208 VanDerWaalsContact C-N 3.27Å; A206-R208 PolarHBondContact O-N 2.91Å; A206-R209 WeakPolarHBondContact O-CA 3.28Å; A206-R209 WeakPolarHBondContact O-CB 3.02Å; A206-R209 PolarHBondContact O-N 2.91Å; A206-L210 VanDerWaalsContact O-CD1 3.32Å; A206-L210 WeakPolarHBondContact O-CD1 3.5Å; A206-L210 PolarHBondContact O-N 3.49Å |
| 207 | R | 95.2 | Very high | 88.2 | Confident | 47 Ų | 47 | 82.5 Ų | 82.5 | 18% | 0.177 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.5 | -37.2 | 177.6 | -67.9 | -162.1 | -60.3 | -93.1 | 3.1 | 112.7 | P178 Y179 F203 K211 | P178-R207 HydrophobicContact CB-CG 4.3Å; P178-R207 HydrophobicContact CG-CG 4.09Å; P178-R207 WeakPolarHBondContact O-CD 3.5Å; P178-R207 PolarHBondContact O-NH1 2.82Å; Y179-R207 VanDerWaalsContact CE1-NH2 3.29Å; Y179-R207 VanDerWaalsContact CE2-CD 3.46Å; Y179-R207 VanDerWaalsContact CZ-NE 3.29Å; F203-R207 WeakPolarHBondContact O-CG 3.27Å; F203-R207 PolarHBondContact O-N 2.82Å; R207-K211 PolarHBondContact O-N 2.88Å |
| 208 | R | 94.3 | Very high | 86.4 | Confident | 172 Ų | 172 | 80.8 Ų | 80.8 | 65% | 0.649 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.4 | -37.7 | 174.1 | -70.5 | 175.7 | -172 | 116.2 | -14.6 | 112.5 | A204 N205 A206 K212 | A204-R208 VanDerWaalsContact C-NH1 3.25Å; A204-R208 WeakPolarHBondContact O-CD 3.44Å; A204-R208 VanDerWaalsContact O-CG 3.25Å; A204-R208 WeakPolarHBondContact O-CG 3.32Å; A204-R208 PolarHBondContact O-NH1 3.39Å; N205-R208 PolarHBondContact O-N 2.9Å; A206-R208 VanDerWaalsContact C-N 3.27Å; A206-R208 PolarHBondContact O-N 2.91Å; R208-K212 PolarHBondContact O-N 3.5Å; R208-K212 VanDerWaalsContact O-N 3.13Å |
| 209 | R | 92.6 | Very high | 84.1 | Confident | 163 Ų | 163 | 81 Ų | 81 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64 | -54.1 | 173.6 | -66 | 178.1 | -163.8 | -148.5 | 1.2 | 110.7 | N205 A206 K211 K212 E213 | N205-R209 WeakPolarHBondContact O-CG 3.43Å; N205-R209 PolarHBondContact O-N 2.84Å; N205-R209 VanDerWaalsContact O-N 3.11Å; N205-R209 VanDerWaalsContact OD1-CZ 3.28Å; N205-R209 PolarHBondContact OD1-NE 2.89Å; N205-R209 PolarHBondContact OD1-NH2 3.5Å; A206-R209 WeakPolarHBondContact O-CA 3.28Å; A206-R209 WeakPolarHBondContact O-CB 3.02Å; A206-R209 PolarHBondContact O-N 2.91Å; R209-K211 VanDerWaalsContact C-N 3.27Å; R209-K211 PolarHBondContact O-N 3.01Å; R209-K212 WeakPolarHBondContact O-CA 3.49Å; R209-K212 PolarHBondContact O-N 3.03Å; R209-E213 VanDerWaalsContact O-CG 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.5Å; R209-E213 PolarHBondContact O-N 3.22Å |
| 210 | L | 88.1 | Confident | 81.9 | Confident | 10 Ų | 10 | 85.7 Ų | 85.7 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.9 | -42.4 | 179.2 | -90.5 | 66.4 | 0 | 0 | 0 | 112.2 | L171 A206 E213 N214 K215 M216 | L171-L210 HydrophobicContact CD1-CD2 4.15Å; L171-L210 HydrophobicContact CD2-CD1 4.31Å; L171-L210 HydrophobicContact CG-CD2 4.49Å; A206-L210 VanDerWaalsContact O-CD1 3.32Å; A206-L210 WeakPolarHBondContact O-CD1 3.5Å; A206-L210 PolarHBondContact O-N 3.49Å; L210-E213 WeakPolarHBondContact CA-OE1 3.46Å; L210-E213 PolarHBondContact N-OE1 3.04Å; L210-N214 PolarHBondContact O-N 2.97Å; L210-K215 PolarHBondContact O-N 3.27Å; L210-M216 HydrophobicContact CB-CB 4.21Å; L210-M216 HydrophobicContact CD2-CB 4.23Å; L210-M216 PolarHBondContact O-N 2.82Å |
| 211 | K | 84.7 | Confident | 79.6 | Confident | 158 Ų | 158 | 93.2 Ų | 93.2 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.3 | -37.9 | 175.7 | -174 | 170.2 | -178.8 | 172.1 | 0 | 113 | R207 R209 | R207-K211 PolarHBondContact O-N 2.88Å; R209-K211 VanDerWaalsContact C-N 3.27Å; R209-K211 PolarHBondContact O-N 3.01Å |
| 212 | K | 83.4 | Confident | 76.8 | Confident | 197 Ų | 197 | 95.5 Ų | 95.5 | 86% | 0.857 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -72.2 | -36.1 | 178.7 | -177.6 | 174.2 | 179.1 | 177.6 | 0 | 112.9 | R208 R209 N214 | R208-K212 PolarHBondContact O-N 3.5Å; R208-K212 VanDerWaalsContact O-N 3.13Å; R209-K212 WeakPolarHBondContact O-CA 3.49Å; R209-K212 PolarHBondContact O-N 3.03Å; K212-N214 VanDerWaalsContact C-N 3.33Å |
| 213 | E | 77.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 102.2 Ų | 102.2 | 40% | 0.402 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.9 | -175.9 | 71 | -173.1 | 136.1 | 0 | 0 | 114.1 | R209 L210 K215 | R209-E213 VanDerWaalsContact O-CG 3.32Å; R209-E213 WeakPolarHBondContact O-CG 3.5Å; R209-E213 PolarHBondContact O-N 3.22Å; L210-E213 WeakPolarHBondContact CA-OE1 3.46Å; L210-E213 PolarHBondContact N-OE1 3.04Å; E213-K215 HydrophobicContact CG-CB 3.82Å; E213-K215 HydrophobicContact CG-CD 4.02Å; E213-K215 HydrophobicContact CG-CG 3.77Å; E213-K215 PolarHBondContact O-N 3.01Å; E213-K215 VanDerWaalsContact OE2-CD 3.27Å; E213-K215 WeakPolarHBondContact OE2-CD 3.48Å; E213-K215 WeakPolarHBondContact OE2-CE 3.25Å |
| 214 | N | 73.6 | Confident | 72.1 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 68% | 0.684 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 58.4 | -4.1 | -175.9 | -160.7 | -102.9 | 0 | 0 | 0 | 116 | L210 K212 M216 | L210-N214 PolarHBondContact O-N 2.97Å; K212-N214 VanDerWaalsContact C-N 3.33Å; N214-M216 PolarHBondContact O-N 2.92Å |
| 215 | K | 68.3 | Low | 69.4 | Low | 135 Ų | 135 | 112.6 Ų | 112.6 | 59% | 0.587 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -67 | 11.2 | 176 | -59.9 | -177 | -157.5 | -56 | 0 | 115 | L210 E213 | L210-K215 PolarHBondContact O-N 3.27Å; E213-K215 HydrophobicContact CG-CB 3.82Å; E213-K215 HydrophobicContact CG-CD 4.02Å; E213-K215 HydrophobicContact CG-CG 3.77Å; E213-K215 PolarHBondContact O-N 3.01Å; E213-K215 VanDerWaalsContact OE2-CD 3.27Å; E213-K215 WeakPolarHBondContact OE2-CD 3.48Å; E213-K215 WeakPolarHBondContact OE2-CE 3.25Å |
| 216 | M | 65.6 | Low | 67.1 | Low | 43 Ų | 43 | 116.7 Ų | 116.7 | 21% | 0.212 | 58% | 0.575 | C | S | . | * | S | Bend | trans | -154 | 114.2 | 155.8 | -157.7 | 66.3 | -150.4 | 0 | 0 | 111.2 | R175 L210 N214 W218 | R175-M216 HydrophobicContact CB-CE 4.47Å; R175-M216 HydrophobicContact CB-SD 4.09Å; R175-M216 WeakPolarHBondContact O-CE 3.41Å; R175-M216 VanDerWaalsContact O-SD 3.32Å; L210-M216 HydrophobicContact CB-CB 4.21Å; L210-M216 HydrophobicContact CD2-CB 4.23Å; L210-M216 PolarHBondContact O-N 2.82Å; N214-M216 PolarHBondContact O-N 2.92Å; M216-W218 VanDerWaalsContact C-N 3.34Å; M216-W218 HydrophobicContact CB-CZ2 4.12Å; M216-W218 HydrophobicContact CG-CD2 4.44Å; M216-W218 HydrophobicContact CG-CH2 4.07Å; M216-W218 HydrophobicContact CG-CZ2 3.43Å; M216-W218 VanDerWaalsContact CG-CZ2 3.43Å; M216-W218 PolarHBondContact O-N 3.11Å |
| 217 | T | 60.7 | Low | 65.1 | Low | 96 Ų | 96 | 122 Ų | 122 | 59% | 0.589 | 60% | 0.603 | S | S | * | * | | | trans | -69.8 | 93 | 162.9 | 38.3 | 0 | 0 | 0 | 0 | 109.1 | S219 | T217-S219 PolarHBondContact O-N 3.32Š|
| 218 | W | 58.4 | Low | 62.8 | Low | 67 Ų | 67 | 129.9 Ų | 129.9 | 25% | 0.254 | 63% | 0.632 | S | S | . | * | | | trans | -66.8 | 77.7 | 164.9 | -74 | 102.1 | 0 | 0 | 0 | 109.5 | R175 K176 P178 M216 P220 | R175-W218 WeakPolarHBondContact O-CH2 3.06Å; R175-W218 WeakPolarHBondContact O-CZ2 3.2Å; K176-W218 VanDerWaalsContact O-CZ3 3.25Å; K176-W218 WeakPolarHBondContact O-CZ3 3.24Å; P178-W218 HydrophobicContact CG-CH2 3.27Å; P178-W218 HydrophobicContact CG-CZ2 3.19Å; P178-W218 HydrophobicContact CG-CZ3 4.3Å; M216-W218 VanDerWaalsContact C-N 3.34Å; M216-W218 HydrophobicContact CB-CZ2 4.12Å; M216-W218 HydrophobicContact CG-CD2 4.44Å; M216-W218 HydrophobicContact CG-CH2 4.07Å; M216-W218 HydrophobicContact CG-CZ2 3.43Å; M216-W218 VanDerWaalsContact CG-CZ2 3.43Å; M216-W218 PolarHBondContact O-N 3.11Å; W218-P220 WeakPolarHBondContact O-CD 3.38Å |
| 219 | S | 49.9 | Very low | 60.7 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | | | trans | -47.5 | 105.8 | -172.5 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | T217 K221 | T217-S219 PolarHBondContact O-N 3.32Å; S219-K221 PolarHBondContact O-N 2.88Å |
| 220 | P | 50.2 | Low | 58.3 | Low | 99 Ų | 99 | 128.1 Ų | 128.1 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | | | trans | -63.4 | 133.6 | 154.8 | -2.2 | 21.4 | 0 | 0 | 0 | 104.9 | W218 N222 | W218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-N222 PolarHBondContact O-N 2.84Å |
| 221 | K | 50.8 | Low | 55.9 | Low | 206 Ų | 206 | 134 Ų | 134 | 90% | 0.896 | 67% | 0.667 | S | S | * | * | | | trans | -73.5 | 75.6 | 174.9 | -174.6 | 80 | 175.2 | -173.2 | 0 | 107.8 | S219 K223 | S219-K221 PolarHBondContact O-N 2.88Å; K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.44Å |
| 222 | N | 38.7 | Very low | 53.6 | Low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | | | trans | -64.9 | 89.4 | 174.4 | -83.6 | 28.1 | 0 | 0 | 0 | 109.1 | P220 | P220-N222 PolarHBondContact O-N 2.84Š|
| 223 | K | 49.9 | Very low | 51.3 | Low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.865 | 68% | 0.675 | S | S | * | * | | | trans | -56.4 | 146.3 | 149.4 | -151.3 | 175.3 | 173.9 | 80.4 | 0 | 106.9 | K221 | K221-K223 VanDerWaalsContact C-N 3.26Å; K221-K223 PolarHBondContact O-N 3.44Å |
| 224 | A | 44.7 | Very low | 49.1 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | 67 | 64 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 225 | N | 40 | Very low | 47.2 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 69% | 0.694 | S | S | * | * | | | | -140.2 | 78.3 | 126.4 | -166 | -18.2 | 0 | 0 | 0 | 107.4 | | |
| 226 | D | 48.4 | Very low | 45.6 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | | | trans | -120.7 | 93.6 | 175.7 | 175.8 | 30.3 | 0 | 0 | 0 | 106.7 | | |
| 227 | D | 51.9 | Low | 44.1 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | | | trans | -159.5 | 118 | 170.8 | -145.2 | -36.2 | 0 | 0 | 0 | 108.9 | | |
| 228 | R | 48.1 | Very low | 43.2 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | 80.7 | 102.6 | 173 | -50.1 | 168 | -163.7 | -140.7 | -2.4 | 118.1 | | |
| 229 | K | 50.5 | Low | 42.4 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | | 37.8 | 138 | 106.9 | -70.6 | 174.7 | 158.4 | -91 | 0 | 118 | | |
| 230 | E | 40.8 | Very low | 42 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | | | cis | -161.7 | 167.1 | 4.2 | -125.6 | 151.6 | 180 | 0 | 0 | 111.1 | | |
| 231 | D | 38.5 | Very low | 41.8 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | | | trans | 47.2 | 116.3 | 159.2 | -54.8 | -33 | 0 | 0 | 0 | 121.5 | | |
| 232 | F | 36.4 | Very low | 41.3 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | | | | -168.1 | 117.9 | 100.2 | -114 | -82.7 | 0 | 0 | 0 | 113.7 | | |
| 233 | N | 34.1 | Very low | 41.6 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -19.7 | 135.4 | 169.4 | -179.2 | 29.8 | 0 | 0 | 0 | 121.1 | | |
| 234 | S | 31.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -162.5 | 126.9 | 130.4 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 235 | S | 34.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | 16.8 | 110.8 | 167 | -84.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 236 | D | 33.6 | Very low | 40.7 | Very low | 133 Ų | 133 | 149 Ų | 149 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | | | | 76.8 | 102.4 | 71.2 | -175.7 | 33.9 | 0 | 0 | 0 | 114.9 | | |
| 237 | C | 34.5 | Very low | 40.6 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | | | trans | -154.1 | 107.3 | 133.4 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 238 | K | 40.7 | Very low | 40.1 | Very low | 174 Ų | 174 | 149 Ų | 149 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | trans | -75.4 | 141.2 | 168.1 | -61.4 | 179.1 | 179 | -178.2 | 0 | 111 | | |
| 239 | E | 41.8 | Very low | 40 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 73% | 0.729 | 75% | 0.749 | S | S | * | * | | | | -157.3 | 135 | 97.7 | -170.4 | 176.8 | 150.3 | 0 | 0 | 109.6 | K241 | E239-K241 IonicContact OE1-NZ 2.95Å; E239-K241 PolarHBondContact OE1-NZ 3.03Å |
| 240 | E | 42.7 | Very low | 40.1 | Very low | 133 Ų | 133 | 146 Ų | 146 | 62% | 0.621 | 76% | 0.755 | S | S | * | * | | | trans | -79.5 | 133.3 | 174 | 48.6 | -90.5 | 76.2 | 0 | 0 | 112.9 | | |
| 241 | K | 44.9 | Very low | 40.7 | Very low | 177 Ų | 177 | 147 Ų | 147 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -152.3 | 92.4 | 144.7 | -112.4 | 165.5 | -144.6 | 77.2 | 0 | 111.2 | E239 | E239-K241 IonicContact OE1-NZ 2.95Å; E239-K241 PolarHBondContact OE1-NZ 3.03Å |
| 242 | E | 40.8 | Very low | 41.4 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | -58.4 | 132.9 | 157.7 | -57.7 | 171.1 | 115.2 | 0 | 0 | 109 | | |
| 243 | L | 45.3 | Very low | 42.4 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | | | | -124.1 | 116.9 | 127.6 | -78.6 | -177.7 | 0 | 0 | 0 | 107.6 | | |
| 244 | H | 40.1 | Very low | 43.3 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -76.5 | 175 | 178 | 175.5 | -99.9 | 0 | 0 | 0 | 110.5 | | |
| 245 | L | 37.4 | Very low | 44.5 | Very low | 141 Ų | 141 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | trans | 78.2 | 110.6 | -175.3 | -48.7 | 169.3 | 0 | 0 | 0 | 112.9 | | |
| 246 | S | 37.5 | Very low | 45.3 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | cis | 110.7 | 127.5 | 17 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 247 | D | 47.4 | Very low | 46.2 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | | | trans | 80.9 | 160.9 | 152.8 | -146.6 | 9.6 | 0 | 0 | 0 | 118.9 | | |
| 248 | L | 41 | Very low | 47.2 | Very low | 126 Ų | 126 | 153.3 Ų | 153.3 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | | | trans | 80.1 | 125.6 | 175.3 | -52 | -175.5 | 0 | 0 | 0 | 119.2 | | |
| 249 | E | 46.1 | Very low | 47.9 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | 58.3 | 111 | 147.5 | -67.4 | 145.9 | -147 | 0 | 0 | 116.9 | | |
| 250 | D | 53 | Low | 48.2 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | cis | 58 | 75.8 | 35.6 | -150.7 | 33.7 | 0 | 0 | 0 | 112.7 | | |
| 251 | M | 51.9 | Low | 48.3 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | -136.1 | 105.5 | 162.3 | -66 | -151.8 | 96.9 | 0 | 0 | 110.4 | | |
| 252 | D | 53.8 | Low | 48.1 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 65% | 0.652 | 81% | 0.807 | S | S | * | * | | | trans | 51.5 | 87.4 | 134.2 | -47.6 | -38.8 | 0 | 0 | 0 | 118.2 | D254 | D252-D254 PolarHBondContact O-N 2.87Š|
| 253 | E | 57.2 | Low | 48.1 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 98% | 0.977 | 81% | 0.805 | S | S | * | * | | | trans | -78.7 | 58.9 | 166 | 57 | 178.4 | 155.2 | 0 | 0 | 112.8 | | |
| 254 | D | 53 | Low | 48 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -117 | 152.2 | -176.2 | -104.6 | -49.9 | 0 | 0 | 0 | 115.1 | D252 | D252-D254 PolarHBondContact O-N 2.87Š|
| 255 | D | 57 | Low | 48.1 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | trans | 53 | 89.1 | 179 | -155.7 | 31.2 | 0 | 0 | 0 | 119 | | |
| 256 | C | 51.4 | Low | 48.1 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | | | trans | -139.8 | 29.7 | 162.8 | -94.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 257 | D | 52.5 | Low | 48 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | | | trans | -129.9 | 42.3 | -170.7 | -112.1 | -28 | 0 | 0 | 0 | 113 | | |
| 258 | K | 56.5 | Low | 47.5 | Very low | 180 Ų | 180 | 150.5 Ų | 150.5 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | | | trans | -149.8 | 48.8 | 179.7 | -149.2 | 177.7 | 178.9 | 175.8 | 0 | 119 | | |
| 259 | L | 54.6 | Low | 47.2 | Very low | 179 Ų | 179 | 152.2 Ų | 152.2 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | | | trans | -143.3 | 75.8 | 158.5 | -79.1 | -176.2 | 0 | 0 | 0 | 112.4 | | |
| 260 | D | 48.8 | Very low | 46.7 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | | | trans | -157.5 | 81.9 | 158.5 | -140.3 | -0.2 | 0 | 0 | 0 | 110.9 | | |
| 261 | S | 43.5 | Very low | 45.9 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | | | trans | -169.9 | 81.9 | 175.9 | 172 | 0 | 0 | 0 | 0 | 112.2 | | |
| 262 | D | 42.1 | Very low | 44.8 | Very low | 166 Ų | 166 | 154.7 Ų | 154.7 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | -147.5 | 166 | 156.2 | -148.1 | -25.7 | 0 | 0 | 0 | 110.6 | | |
| 263 | C | 39.4 | Very low | 43.9 | Very low | 114 Ų | 114 | 155 Ų | 155 | 77% | 0.77 | 84% | 0.842 | S | S | * | * | | | trans | 68.9 | 72 | -177.3 | -154 | 0 | 0 | 0 | 0 | 116.5 | | |
| 264 | E | 43.7 | Very low | 42.9 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | | | | -162.1 | 107 | 116.4 | -111.9 | -173.4 | 177.5 | 0 | 0 | 111 | | |
| 265 | K | 41.8 | Very low | 41.9 | Very low | 197 Ų | 197 | 156.7 Ų | 156.7 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | -140.9 | 93.6 | 169.9 | -167.7 | -179.9 | 177.3 | -174 | 0 | 112.5 | | |
| 266 | V | 37 | Very low | 40.6 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | | | trans | 19.4 | 127.9 | 153.5 | -68.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 267 | A | 35.4 | Very low | 39.7 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | | | trans | -99.1 | 120.9 | 153 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 268 | A | 38.4 | Very low | 38.8 | Very low | 92 Ų | 92 | 155 Ų | 155 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | 173.7 | 89.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 269 | D | 34.9 | Very low | 37.7 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | | 86.7 | 113.9 | 75.3 | -164.5 | -125.1 | 0 | 0 | 0 | 111.6 | | |
| 270 | E | 35.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -92.3 | 154.3 | 175.4 | -72.3 | -155.3 | 106.2 | 0 | 0 | 111 | | |
| 271 | Q | 35.4 | Very low | 36.4 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -86.1 | 150.4 | -173.6 | -65.7 | -174.7 | -5.8 | 0 | 0 | 114.1 | | |
| 272 | D | 29.1 | Very low | 35.9 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | 69.5 | 118.6 | 162.6 | -150.2 | 33.5 | 0 | 0 | 0 | 114.7 | | |
| 273 | L | 35 | Very low | 36.4 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 68% | 0.675 | 80% | 0.804 | S | S | * | * | | | | -155.1 | 155.4 | 71.9 | -102.1 | 95.1 | 0 | 0 | 0 | 113.8 | | |
| 274 | Q | 35.3 | Very low | 36.2 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | 68.4 | 86.5 | 149.8 | -69.6 | 171.6 | 8 | 0 | 0 | 121 | | |
| 275 | R | 31.4 | Very low | 35.7 | Very low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | | 69.1 | 135 | 107.1 | -162.6 | -178.6 | -177.5 | -147.8 | 0.7 | 121 | | |
| 276 | S | 30.3 | Very low | 35.3 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 57% | 0.573 | 80% | 0.795 | S | S | * | * | | | trans | 83.1 | 102.7 | 150.7 | 45.8 | 0 | 0 | 0 | 0 | 122.9 | | |
| 277 | M | 32.3 | Very low | 34.9 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | | 84.7 | 141.8 | 118 | -68.1 | -167.4 | -62 | 0 | 0 | 122.2 | | |
| 278 | V | 35.2 | Very low | 34.6 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 77 | 113.8 | 154.1 | 171 | 0 | 0 | 0 | 0 | 118.6 | | |
| 279 | A | 32 | Very low | 34.3 | Very low | 86 Ų | 86 | 143.8 Ų | 143.8 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -100.1 | -179.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 280 | P | 46.5 | Very low | 34.2 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | cis | -131 | -174.1 | 1.4 | 42.8 | -26.7 | 0 | 0 | 0 | 113.5 | | |
| 281 | G | 30.8 | Very low | 34 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | | | trans | 175.2 | 111.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 282 | A | 33 | Very low | 34 | Very low | 97 Ų | 97 | 138 Ų | 138 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -137.4 | 174.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 283 | P | 52.4 | Low | 34.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | cis | -122.8 | -163.3 | -13.5 | 40.5 | -25.4 | 0 | 0 | 0 | 110.6 | | |
| 284 | L | 35.4 | Very low | 33.9 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | | -169 | 152.6 | 127.5 | -106.6 | 168.5 | 0 | 0 | 0 | 112.9 | | |
| 285 | K | 33.3 | Very low | 33.7 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -98.6 | 156.1 | 173.2 | -58.6 | -179 | 178.6 | -174.2 | 0 | 111.4 | | |
| 286 | R | 32.4 | Very low | 34 | Very low | 218 Ų | 218 | 134.3 Ų | 134.3 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | | -166.5 | 163.6 | 123.2 | -104.3 | 163.6 | -159.8 | 86.2 | -9.5 | 112.1 | | |
| 287 | D | 29 | Very low | 34.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -116.1 | -168.9 | -158.5 | -46.7 | -99.8 | 0 | 0 | 0 | 112.1 | | |
| 288 | C | 29.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | 79.9 | 115.2 | 178.5 | -51.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 289 | S | 31.1 | Very low | 34.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | cis | 95 | 118.6 | 31.2 | -169.4 | 0 | 0 | 0 | 0 | 114 | | |
| 290 | S | 33.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -161.7 | 137.8 | 153.1 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 291 | D | 31.8 | Very low | 33.9 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -76.4 | 158.7 | -179.9 | -54.6 | -97.2 | 0 | 0 | 0 | 113.1 | | |
| 292 | L | 34.7 | Very low | 33.9 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | | 170.6 | 114.8 | 108.8 | -88.8 | 170 | 0 | 0 | 0 | 114.3 | | |
| 293 | H | 30.2 | Very low | 34.2 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | | 34.9 | 95.5 | 129.2 | -158.9 | -104 | 0 | 0 | 0 | 119.5 | S295 | H293-S295 PolarHBondContact CE1-OG 2.93Å; H293-S295 PolarHBondContact ND1-OG 3.43Å |
| 294 | L | 31.9 | Very low | 34 | Very low | 171 Ų | 171 | 148.8 Ų | 148.8 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 139.9 | 159.8 | -99.5 | 75.8 | 0 | 0 | 0 | 111.2 | | |
| 295 | S | 30.9 | Very low | 33.9 | Very low | 95 Ų | 95 | 147.4 Ų | 147.4 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | | | trans | -125.4 | 149.1 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 110.9 | H293 | H293-S295 PolarHBondContact CE1-OG 2.93Å; H293-S295 PolarHBondContact ND1-OG 3.43Å |
| 296 | L | 37.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -87 | 134.6 | -168.4 | -154.3 | 81.7 | 0 | 0 | 0 | 112.5 | | |
| 297 | T | 32.3 | Very low | 34.3 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -145.9 | 132.2 | 157.3 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 298 | N | 34.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | | | trans | -81.7 | 157.3 | 168.6 | -62.8 | -48 | 0 | 0 | 0 | 111.1 | | |
| 299 | S | 34.8 | Very low | 35.1 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | | -179.7 | 118.2 | 127.1 | -83 | 0 | 0 | 0 | 0 | 115.5 | | |
| 300 | F | 32.5 | Very low | 35.4 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | 49 | 155.4 | 132.8 | -60 | -72.3 | 0 | 0 | 0 | 124.4 | | |
| 301 | H | 40.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | | | trans | -92.2 | 160.6 | -173.2 | -51.4 | -105 | 0 | 0 | 0 | 113.7 | | |
| 302 | T | 30 | Very low | 35.4 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | | | trans | -155.7 | 138.1 | 151.9 | -72.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 303 | F | 40.4 | Very low | 35.3 | Very low | 195 Ų | 195 | 141.9 Ų | 141.9 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | -98.4 | 143.8 | 170 | -75.8 | -89.8 | 0 | 0 | 0 | 110.9 | | |
| 304 | P | 47.7 | Very low | 36.8 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -96.3 | 140.8 | 162.6 | 35 | -29.4 | 0 | 0 | 0 | 112.1 | | |
| 305 | C | 33.4 | Very low | 36.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -119.6 | 151.5 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 306 | S | 36.3 | Very low | 36.9 | Very low | 120 Ų | 120 | 142.1 Ų | 142.1 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | -146.1 | 149 | -179.4 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 307 | I | 36.9 | Very low | 37.8 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | -142.4 | 131.2 | -164.3 | -60.9 | 171.5 | 0 | 0 | 0 | 110.9 | | |
| 308 | K | 42.8 | Very low | 38.2 | Very low | 212 Ų | 212 | 137.3 Ų | 137.3 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | | | trans | 159.7 | 150.5 | 155 | -90 | 154.3 | -174.3 | 179.5 | 0 | 109.3 | | |
| 309 | G | 33.6 | Very low | 38.3 | Very low | 68 Ų | 68 | 137.7 Ų | 137.7 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | cis | 162 | 108.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 310 | V | 36.3 | Very low | 38.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 92% | 0.915 | 80% | 0.803 | S | S | * | * | | | trans | 53.1 | 122.3 | 150.2 | -168.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 311 | A | 33.4 | Very low | 38.4 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | | 169.4 | 150.8 | 124.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 312 | A | 32.5 | Very low | 38.1 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | | | trans | 82.9 | 157.9 | 153 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 313 | L | 33.7 | Very low | 39 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | | | trans | -153 | -176.7 | -170.8 | -104.1 | 174.3 | 0 | 0 | 0 | 107.7 | | |
| 314 | P | 60.4 | Low | 38.7 | Very low | 94 Ų | 94 | 133 Ų | 133 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | | | cis | -133.9 | -176.2 | -11.1 | 38 | -18.7 | 0 | 0 | 0 | 115.4 | | |
| 315 | H | 29 | Very low | 37.9 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | | 170.7 | 156.3 | 123.8 | -99.6 | -79.8 | 0 | 0 | 0 | 115 | | |
| 316 | L | 36.6 | Very low | 38 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -140.4 | 162 | 174.9 | -67.9 | 175.2 | 0 | 0 | 0 | 109.9 | | |
| 317 | P | 55.9 | Low | 37.8 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | | -136.6 | 153.1 | 87.2 | 14.2 | 10.3 | 0 | 0 | 0 | 114.5 | | |
| 318 | A | 41.9 | Very low | 37.4 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | | 63.6 | 133.5 | 87 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 319 | D | 35 | Very low | 37.2 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | -176.5 | 174.6 | 51.8 | -107.3 | -37.1 | 0 | 0 | 0 | 109.9 | | |
| 320 | F | 33 | Very low | 37.8 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | | | cis | -173.9 | 127.1 | -5.2 | 176.4 | -102 | 0 | 0 | 0 | 113.4 | | |
| 321 | I | 37 | Very low | 37.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | trans | 77.1 | 142.5 | 152.6 | -73.8 | -166.7 | 0 | 0 | 0 | 125.3 | | |
| 322 | D | 33.7 | Very low | 37.6 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -75 | -159.4 | 172.8 | -104.1 | -60.1 | 0 | 0 | 0 | 113.6 | | |
| 323 | P | 50.3 | Low | 37.9 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | cis | -149.9 | 166.7 | 12 | 49.8 | -30 | 0 | 0 | 0 | 120.4 | | |
| 324 | I | 33.8 | Very low | 38.8 | Very low | 151 Ų | 151 | 128.5 Ų | 128.5 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | | | | 63.4 | 117.5 | 128.9 | -71 | 173.4 | 0 | 0 | 0 | 123.7 | | |
| 325 | V | 31.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | 87.3 | 143.2 | 136.4 | 156.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 326 | S | 34.4 | Very low | 37.9 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | 96.4 | 102.5 | 151.1 | -89 | 0 | 0 | 0 | 0 | 122.9 | | |
| 327 | K | 32 | Very low | 37.7 | Very low | 197 Ų | 197 | 122.6 Ų | 122.6 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | | 82.1 | 146.6 | 103.1 | -167.3 | 173.1 | -179 | 175.3 | 0 | 120.7 | | |
| 328 | A | 29.8 | Very low | 36.9 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | 95.4 | 129.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 329 | A | 37.2 | Very low | 36.6 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -97.7 | 175.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 330 | P | 46.9 | Very low | 36.6 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | | -150.6 | 179.1 | 82.3 | 40.4 | -21.7 | 0 | 0 | 0 | 116.7 | | |
| 331 | A | 32.3 | Very low | 36.6 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -39 | 151.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 332 | S | 33 | Very low | 36.4 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | | -165.3 | 153.4 | 118 | 41.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 333 | V | 38.9 | Very low | 36.4 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -140.9 | 164.7 | 168.7 | -114.5 | 0 | 0 | 0 | 0 | 106.2 | | |
| 334 | P | 53.4 | Low | 35.6 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | cis | -125.9 | -176.6 | -14.5 | 37.9 | -21.9 | 0 | 0 | 0 | 112.1 | | |
| 335 | S | 32.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | | | trans | -150.6 | 155.3 | 150.1 | -164.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 336 | A | 37.4 | Very low | 35.7 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -97.1 | 141.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 337 | G | 32.5 | Very low | 35.9 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -137 | 105.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 338 | A | 38.2 | Very low | 36.3 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | -91.4 | 125.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 339 | V | 35.8 | Very low | 37.1 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 92% | 0.915 | 81% | 0.809 | S | S | * | * | | | trans | -134.8 | 143.2 | 163.5 | -82.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 340 | S | 36 | Very low | 37.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -144.3 | 161.7 | -175.8 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 341 | L | 32.6 | Very low | 37.7 | Very low | 163 Ų | 163 | 136 Ų | 136 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | 65.1 | 135.6 | -163.7 | -68.1 | 69.8 | 0 | 0 | 0 | 112.2 | | |
| 342 | S | 33 | Very low | 39.1 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 65% | 0.65 | 81% | 0.81 | S | S | * | * | | | cis | -141 | 142.6 | 26.6 | 43.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 343 | H | 32.5 | Very low | 39.6 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -76.9 | 120 | 163.5 | -101.1 | -89.2 | 0 | 0 | 0 | 108.6 | | |
| 344 | F | 34.7 | Very low | 40 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -82.4 | 144.9 | 166 | -100.8 | -87 | 0 | 0 | 0 | 111.5 | | |
| 345 | E | 32.1 | Very low | 40.1 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -87.2 | 115.8 | -161.8 | -161.1 | 172.8 | 146.2 | 0 | 0 | 112 | S347 | E345-S347 PolarHBondContact O-N 3.13Å; E345-S347 VanDerWaalsContact O-N 3.16Å |
| 346 | S | 35.2 | Very low | 41.2 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -74.9 | 104.9 | -177.6 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | E348 | S346-E348 PolarHBondContact O-N 3.4Š|
| 347 | S | 37.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | | | trans | -64.3 | 91.2 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | E345 | E345-S347 PolarHBondContact O-N 3.13Å; E345-S347 VanDerWaalsContact O-N 3.16Å |
| 348 | E | 39.8 | Very low | 42.5 | Very low | 155 Ų | 155 | 154.9 Ų | 154.9 | 72% | 0.724 | 83% | 0.825 | S | S | * | * | | | trans | -84.1 | 131.1 | 174.7 | -172.1 | 163.6 | -164.1 | 0 | 0 | 111.6 | S346 | S346-E348 PolarHBondContact O-N 3.4Š|
| 349 | K | 48.3 | Very low | 42.4 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 70% | 0.7 | 82% | 0.823 | S | S | * | * | | | trans | -72.4 | 139.3 | -176 | -72.9 | 71.8 | 174.2 | 170.1 | 0 | 110.1 | R351 | K349-R351 PolarHBondContact O-N 3.13Š|
| 350 | P | 46.1 | Very low | 42.7 | Very low | 126 Ų | 126 | 152.3 Ų | 152.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -66.4 | 101.9 | -174.3 | 26.8 | -35.3 | 0 | 0 | 0 | 112.2 | I352 | P350-I352 PolarHBondContact O-N 2.78Š|
| 351 | R | 50.8 | Low | 42.6 | Very low | 218 Ų | 218 | 153.4 Ų | 153.4 | 82% | 0.823 | 83% | 0.827 | S | S | * | * | | | trans | -88.7 | 97.4 | 169.2 | -63.4 | -170.7 | -166.1 | 171.1 | 10.2 | 110 | K349 | K349-R351 PolarHBondContact O-N 3.13Š|
| 352 | I | 61.4 | Low | 42.9 | Very low | 147 Ų | 147 | 149 Ų | 149 | 75% | 0.754 | 82% | 0.822 | S | S | * | * | | | trans | -54.7 | 166.5 | 161.4 | -56 | 169.6 | 0 | 0 | 0 | 108.8 | P350 | P350-I352 PolarHBondContact O-N 2.78Š|
| 353 | W | 43.2 | Very low | 43.2 | Very low | 247 Ų | 247 | 150.9 Ų | 150.9 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | | | trans | 87.3 | 43.1 | -170.8 | -56.9 | 70.4 | 0 | 0 | 0 | 114.5 | L355 | W353-L355 PolarHBondContact O-N 3.19Å; W353-L355 VanDerWaalsContact O-N 3.08Å |
| 354 | S | 47.3 | Very low | 43.2 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -69.3 | 92.8 | 166.6 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 355 | L | 55.7 | Low | 43.5 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | | | trans | -137 | 50.4 | 176.4 | -159.6 | 97.6 | 0 | 0 | 0 | 113.9 | W353 | W353-L355 PolarHBondContact O-N 3.19Å; W353-L355 VanDerWaalsContact O-N 3.08Å |
| 356 | A | 54.9 | Low | 43.3 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -175.7 | 90.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 357 | R | 50.3 | Low | 43.9 | Very low | 248 Ų | 248 | 145 Ų | 145 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | | | trans | -154.1 | 73.3 | 157.8 | -81.3 | -154.8 | -177.2 | 167 | 3.5 | 111.6 | | |
| 358 | T | 47.2 | Very low | 43.8 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | | | trans | -149.7 | 154.2 | 165.8 | -39.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 359 | A | 35.1 | Very low | 43.6 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 66.7 | 70.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 360 | A | 42.2 | Very low | 42.9 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | -157.1 | 48.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G362 | A360-G362 PolarHBondContact O-N 3.38Š|
| 361 | S | 35.3 | Very low | 42.1 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 91% | 0.909 | 83% | 0.834 | S | S | * | * | | | trans | -84.6 | 99.2 | 170 | -171.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 362 | G | 38.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | trans | -134.5 | 103.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110 | A360 | A360-G362 PolarHBondContact O-N 3.38Š|
| 363 | V | 37.7 | Very low | 40 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -68.5 | 137.9 | 170.3 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 364 | I | 33.8 | Very low | 39.6 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | | | trans | -173 | 134.8 | 131.9 | -98 | -67.5 | 0 | 0 | 0 | 108.9 | | |
| 365 | L | 39.6 | Very low | 38.9 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -78.3 | 146.2 | 168.4 | -66.6 | 160.2 | 0 | 0 | 0 | 108.9 | | |
| 366 | N | 28.8 | Very low | 37.9 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -143.4 | 113.6 | 158.5 | -163.3 | 50.6 | 0 | 0 | 0 | 113.1 | | |
| 367 | P | 48.3 | Very low | 36.7 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 82% | 0.823 | S | S | * | * | | | trans | -77.2 | 154 | 160.4 | 33.7 | -32 | 0 | 0 | 0 | 110.9 | | |
| 368 | Q | 35.4 | Very low | 36 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -61.8 | 127.5 | 172.9 | 164.6 | -171.1 | -26.3 | 0 | 0 | 112.6 | | |
| 369 | Q | 34.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -168.1 | 174.4 | 142.7 | -109.8 | -177.9 | 22.9 | 0 | 0 | 114.5 | | |
| 370 | H | 33.6 | Very low | 35.3 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -68 | 160.7 | -167.6 | -51.3 | -96.7 | 0 | 0 | 0 | 115.6 | | |
| 371 | G | 29.4 | Very low | 34.9 | Very low | 84 Ų | 84 | 136.8 Ų | 136.8 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | | | trans | 172.3 | 120.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 372 | S | 36.2 | Very low | 35 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -96.4 | 162.8 | -176.7 | 46.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 373 | E | 33 | Very low | 34.6 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | trans | 84.8 | 118.3 | 152.9 | -73.1 | -175.3 | 158.4 | 0 | 0 | 124.1 | | |
| 374 | L | 34.4 | Very low | 34.3 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 72% | 0.717 | 81% | 0.808 | S | S | * | * | | | | 71 | 131.6 | 124.6 | -67.1 | 168.2 | 0 | 0 | 0 | 125 | | |
| 375 | R | 32.8 | Very low | 34.2 | Very low | 223 Ų | 223 | 141.2 Ų | 141.2 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | 74.7 | 110.6 | 144.3 | -78.2 | -174.5 | 177.9 | -178.9 | 1.4 | 122.2 | | |
| 376 | T | 34.7 | Very low | 33.8 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | | 18.7 | 122.8 | 125 | 53.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 377 | G | 30.1 | Very low | 33.8 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -161.9 | 128.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 378 | S | 34.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -108.9 | 146.7 | 169.6 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 379 | L | 33.2 | Very low | 32.7 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -175.2 | 167.7 | 131.4 | -100.8 | 161.6 | 0 | 0 | 0 | 113.4 | | |
| 380 | T | 35.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -87.5 | 161.8 | -173.9 | 45.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 381 | G | 33.8 | Very low | 32.8 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | -164.3 | 104.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 382 | D | 36.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -84.9 | 147.4 | 171.2 | -78.4 | -75.2 | 0 | 0 | 0 | 112.1 | | |
| 383 | C | 29.5 | Very low | 32.7 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | 171 | 157.6 | 147.2 | -102.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 384 | Q | 32.4 | Very low | 33.6 | Very low | 156 Ų | 156 | 142 Ų | 142 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | | | cis | -170.7 | 127.7 | -48.7 | 176.3 | 172.3 | 7.9 | 0 | 0 | 107.2 | | |
| 385 | L | 32.3 | Very low | 33.8 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | 43.4 | 127.8 | 161.9 | -60.3 | 169.2 | 0 | 0 | 0 | 119.7 | | |
| 386 | Q | 31.1 | Very low | 33.8 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | | -165.7 | 137.1 | 87 | -97.2 | -176 | 4.6 | 0 | 0 | 115.3 | | |
| 387 | S | 28.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | 21.9 | 127.6 | 144.4 | -153.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 388 | S | 29.6 | Very low | 33.8 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | | -176.9 | 151 | 84.4 | 43 | 0 | 0 | 0 | 0 | 116.8 | | |
| 389 | R | 30.1 | Very low | 33.7 | Very low | 234 Ų | 234 | 137.7 Ų | 137.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | 50.9 | 90.1 | 153.2 | -60.4 | 178.4 | -148.9 | -90.9 | 0.5 | 121.4 | | |
| 390 | L | 31.6 | Very low | 33.6 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | | 31.7 | 158 | 113.8 | -67.2 | 179.8 | 0 | 0 | 0 | 123.3 | | |
| 391 | P | 40.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -115.9 | -175 | -145.1 | 44.7 | -37 | 0 | 0 | 0 | 116.6 | | |
| 392 | R | 28.6 | Very low | 33.6 | Very low | 224 Ų | 224 | 143.8 Ų | 143.8 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -98.6 | 142.3 | 170.9 | 177.2 | 179.3 | 179.9 | 175.8 | 1.4 | 112.3 | | |
| 393 | A | 33.5 | Very low | 33.2 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | trans | -135.7 | 150.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 394 | P | 53.4 | Low | 33.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 60% | 0.597 | 81% | 0.812 | S | S | * | * | | | trans | -139.4 | 175.9 | 166.7 | 35.5 | -17.7 | 0 | 0 | 0 | 115.5 | | |
| 395 | T | 37.7 | Very low | 33.2 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | trans | 110.2 | 146.4 | 153.1 | 70.1 | 0 | 0 | 0 | 0 | 120 | | |
| 396 | G | 32.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 119.9 | 146.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 397 | Q | 36.2 | Very low | 33.1 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | cis | -168.8 | 149.8 | -36.1 | -129.6 | -174.2 | 30 | 0 | 0 | 107.4 | | |
| 398 | C | 28.9 | Very low | 33.2 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | 43.6 | 132.8 | 156 | -61 | 0 | 0 | 0 | 0 | 122.3 | | |
| 399 | G | 31.8 | Very low | 33.3 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 169.8 | 146.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 400 | A | 31.4 | Very low | 33.3 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -148.1 | 153.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 401 | T | 35.2 | Very low | 33.4 | Very low | 154 Ų | 154 | 130 Ų | 130 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | | | trans | -166.2 | -179.6 | 152.2 | 13.7 | 0 | 0 | 0 | 0 | 114 | | |
| 402 | R | 33.9 | Very low | 33 | Very low | 251 Ų | 251 | 131.9 Ų | 131.9 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | | | trans | -100.3 | 163 | -162.9 | -65.2 | 166.4 | 158.5 | 166.6 | -8.8 | 116.4 | | |
| 403 | G | 29.2 | Very low | 33.1 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 102.5 | 157.5 | 141 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 404 | L | 29.8 | Very low | 32.9 | Very low | 161 Ų | 161 | 129.6 Ų | 129.6 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | cis | -164 | -172.5 | -7.3 | -159.8 | 106.5 | 0 | 0 | 0 | 109.6 | | |
| 405 | L | 31.4 | Very low | 31.8 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | 77.6 | 145.8 | 174.1 | -50.6 | 168.3 | 0 | 0 | 0 | 115.4 | | |
| 406 | E | 29.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | cis | -157.7 | 152.5 | -14 | -125.7 | 179.5 | 119.2 | 0 | 0 | 108.3 | | |
| 407 | S | 31.7 | Very low | 31.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | | 178.8 | 137.4 | 81.3 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 408 | N | 30.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | | | trans | 20.2 | 119.1 | 139.5 | -59.9 | -33.1 | 0 | 0 | 0 | 120.9 | | |
| 409 | S | 31.5 | Very low | 32.2 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | 80.3 | 142.4 | 78.7 | 79.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 410 | V | 30.4 | Very low | 32.1 | Very low | 134 Ų | 134 | 135 Ų | 135 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | | -153.3 | -164.1 | 65.5 | 168.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 411 | T | 34 | Very low | 32.1 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | | | trans | -119.5 | 166 | -148.5 | 56.4 | 0 | 0 | 0 | 0 | 119 | | |
| 412 | N | 31 | Very low | 31.9 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | 72.8 | 157.3 | 152.9 | -76.2 | -12.7 | 0 | 0 | 0 | 118.1 | | |
| 413 | S | 31.6 | Very low | 31.9 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | cis | -155.7 | 154.9 | 6.5 | 41.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 414 | E | 29.7 | Very low | 32.3 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | 61 | 168.5 | 151.6 | -75.5 | -160 | 74.2 | 0 | 0 | 120.7 | | |
| 415 | S | 29 | Very low | 32.4 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | cis | -165.6 | 144.5 | -42.1 | 61.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 416 | S | 28.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | | | trans | -179.7 | 129.5 | 156.8 | -81.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 417 | F | 30.6 | Very low | 33.2 | Very low | 206 Ų | 206 | 132 Ų | 132 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | trans | -121 | -178.4 | 164.8 | -89.2 | -83.4 | 0 | 0 | 0 | 107 | | |
| 418 | P | 53.6 | Low | 33.5 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | cis | -114.7 | -164.3 | 0.8 | 23.8 | 2.3 | 0 | 0 | 0 | 110.6 | | |
| 419 | E | 31 | Very low | 33.8 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | cis | -143.3 | 168.8 | 26.9 | -73.3 | 178.5 | 94.1 | 0 | 0 | 113.3 | | |
| 420 | G | 30.4 | Very low | 34 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -158.1 | 123.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 421 | S | 32.2 | Very low | 34.2 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -175.7 | 161.7 | 159.3 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 422 | S | 30.9 | Very low | 34.3 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | | | cis | -168.1 | 156.4 | -33.5 | -175.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 423 | L | 33.6 | Very low | 34.7 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | 53.4 | 105.6 | 167.2 | -65.3 | 159.7 | 0 | 0 | 0 | 118.4 | | |
| 424 | H | 36.6 | Very low | 34.9 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | | | | -157.7 | 147.4 | 104.9 | -149.8 | -84.6 | 0 | 0 | 0 | 112.2 | | |
| 425 | S | 32.7 | Very low | 35.4 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | -90.8 | 143.3 | 173.5 | 178 | 0 | 0 | 0 | 0 | 112 | | |
| 426 | K | 39.2 | Very low | 36.2 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | trans | -162 | 117.7 | 147 | -115 | 164.1 | -173.9 | 173 | 0 | 111.3 | Y428 | K426-Y428 HydrophobicContact CG-CE2 4.32Š|
| 427 | V | 37.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -98.8 | 121 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 428 | Y | 38.4 | Very low | 37.3 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -147.1 | 141.5 | 154.8 | -61.8 | -76.4 | 0 | 0 | 0 | 106.2 | K426 | K426-Y428 HydrophobicContact CG-CE2 4.32Š|
| 429 | G | 36.2 | Very low | 36.5 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | cis | 151.8 | 78.1 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | G431 | G429-G431 PolarHBondContact O-N 3.09Š|
| 430 | T | 37.5 | Very low | 36.8 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -71.6 | 108.8 | -168.8 | 32.8 | 0 | 0 | 0 | 0 | 112.5 | S432 | T430-S432 PolarHBondContact O-N 3.32Š|
| 431 | G | 33.7 | Very low | 37.2 | Very low | 81 Ų | 81 | 141.3 Ų | 141.3 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -70.9 | 110.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G429 Y433 | G429-G431 PolarHBondContact O-N 3.09Å; G431-Y433 PolarHBondContact O-N 3.44Å |
| 432 | S | 36.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | -81.8 | 111.4 | 171.9 | 44.2 | 0 | 0 | 0 | 0 | 110.6 | T430 S434 | T430-S432 PolarHBondContact O-N 3.32Å; S432-S434 PolarHBondContact O-N 2.81Å |
| 433 | Y | 37.7 | Very low | 37.5 | Very low | 207 Ų | 207 | 141.2 Ų | 141.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -81.8 | 112.5 | 177.9 | -162.1 | -98.5 | 0 | 0 | 0 | 111 | G431 | G431-Y433 PolarHBondContact O-N 3.44Š|
| 434 | S | 36.2 | Very low | 37.8 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | | | trans | -91.4 | 107.9 | -177.4 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | S432 K436 | S432-S434 PolarHBondContact O-N 2.81Å; S434-K436 PolarHBondContact O-N 3.4Å; S434-K436 VanDerWaalsContact O-N 3.1Å |
| 435 | H | 40 | Very low | 38.1 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -70.6 | 101.8 | 171.7 | -90.8 | -89 | 0 | 0 | 0 | 110.9 | | |
| 436 | K | 45.9 | Very low | 38.8 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -68.7 | 128.7 | 162.7 | -68.6 | -171.5 | 176.4 | -175.6 | 0 | 109.2 | S434 | S434-K436 PolarHBondContact O-N 3.4Å; S434-K436 VanDerWaalsContact O-N 3.1Å |
| 437 | G | 40.5 | Very low | 39.2 | Very low | 74 Ų | 74 | 138.6 Ų | 138.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | -66.5 | 134.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q439 | G437-Q439 PolarHBondContact O-N 3.27Š|
| 438 | L | 42.2 | Very low | 39.4 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -77.7 | 107.3 | 172.9 | -72.7 | 171.2 | 0 | 0 | 0 | 109.7 | L440 | L438-L440 PolarHBondContact O-N 2.88Å; L438-L440 VanDerWaalsContact O-N 3.07Å |
| 439 | Q | 37.3 | Very low | 40 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 90.8 | 179.4 | -171.1 | 172.4 | 4.4 | 0 | 0 | 110.3 | G437 H441 | G437-Q439 PolarHBondContact O-N 3.27Å; Q439-H441 PolarHBondContact O-N 3.21Å; Q439-H441 VanDerWaalsContact O-N 3.07Å |
| 440 | L | 37 | Very low | 40.2 | Very low | 165 Ų | 165 | 141 Ų | 141 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -69.4 | 100.5 | 173.6 | -73.7 | 172.1 | 0 | 0 | 0 | 110.3 | L438 S442 | L438-L440 PolarHBondContact O-N 2.88Å; L438-L440 VanDerWaalsContact O-N 3.07Å; L440-S442 PolarHBondContact O-N 2.69Å; L440-S442 VanDerWaalsContact O-N 3.12Å |
| 441 | H | 38.5 | Very low | 40.4 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -72.1 | 99.4 | 170.3 | -82.8 | -100.5 | 0 | 0 | 0 | 110.4 | Q439 S443 | Q439-H441 PolarHBondContact O-N 3.21Å; Q439-H441 VanDerWaalsContact O-N 3.07Å; H441-S443 PolarHBondContact O-N 3.08Å |
| 442 | S | 36.4 | Very low | 40.5 | Very low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -68.3 | 115.5 | 165.1 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | L440 S444 | L440-S442 PolarHBondContact O-N 2.69Å; L440-S442 VanDerWaalsContact O-N 3.12Å; S442-S444 PolarHBondContact O-N 2.95Å |
| 443 | S | 34.2 | Very low | 40.4 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -75.3 | 104.3 | 175.6 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | H441 | H441-S443 PolarHBondContact O-N 3.08Š|
| 444 | S | 38.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 129.4 | 172.9 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | S442 | S442-S444 PolarHBondContact O-N 2.95Š|
| 445 | Y | 44.3 | Very low | 40.1 | Very low | 234 Ų | 234 | 146.2 Ų | 146.2 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.2 | 167.2 | -90.5 | -99.4 | 0 | 0 | 0 | 110.4 | | |
| 446 | A | 45.4 | Very low | 39.9 | Very low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 145.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 447 | P | 49.5 | Very low | 39.7 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 142.5 | 175.3 | 31.6 | -34.1 | 0 | 0 | 0 | 111.2 | | |
| 448 | L | 40.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 148.2 | 162.7 | -81.6 | 169.3 | 0 | 0 | 0 | 109.7 | | |
| 449 | P | 52 | Low | 39.2 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 156.4 | -168.3 | 34.9 | -36.8 | 0 | 0 | 0 | 114.3 | A451 | P449-A451 PolarHBondContact O-N 2.88Š|
| 450 | D | 40.5 | Very low | 38.9 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.9 | 164.3 | -75.2 | -59.5 | 0 | 0 | 0 | 111.7 | | |
| 451 | A | 41.5 | Very low | 38.9 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -170.9 | 97.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P449 | P449-A451 PolarHBondContact O-N 2.88Š|
| 452 | C | 34.2 | Very low | 38.7 | Very low | 138 Ų | 138 | 141.3 Ų | 141.3 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | | | trans | -130.8 | 105.8 | 160.4 | -83.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 453 | Q | 35.7 | Very low | 38.5 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -75.8 | 137.1 | 180 | -63.3 | 173.7 | 0.6 | 0 | 0 | 109.6 | T455 | Q453-T455 PolarHBondContact O-N 3.16Š|
| 454 | Y | 32.3 | Very low | 38.5 | Very low | 227 Ų | 227 | 142.9 Ų | 142.9 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -81.5 | 113.7 | 179 | -162.9 | -90.6 | 0 | 0 | 0 | 110 | | |
| 455 | T | 35.4 | Very low | 38.5 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -83.7 | 114.5 | -178.2 | 32 | 0 | 0 | 0 | 0 | 112.1 | Q453 | Q453-T455 PolarHBondContact O-N 3.16Š|
| 456 | T | 35.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -63.1 | 134.3 | 169.5 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 457 | I | 42.7 | Very low | 37.5 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -135.5 | 146.2 | 154.9 | 51 | 173.2 | 0 | 0 | 0 | 109.5 | | |
| 458 | E | 36.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | | | trans | -88.2 | 158 | -167.2 | -61.3 | 170 | 104.6 | 0 | 0 | 113.4 | | |
| 459 | G | 34.7 | Very low | 36.4 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | -158.5 | 102.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 460 | F | 32.1 | Very low | 35.6 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -55.6 | 150.1 | 177.3 | -82.3 | -118.4 | 0 | 0 | 0 | 111.6 | | |
| 461 | S | 36.2 | Very low | 35.3 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | cis | 130.9 | 102.6 | 10.6 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 462 | S | 34.3 | Very low | 35.5 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 92% | 0.923 | 82% | 0.82 | S | S | * | * | | | trans | 179 | 139.1 | 162.3 | -80.1 | 0 | 0 | 0 | 0 | 109 | | |
| 463 | G | 32.4 | Very low | 35.7 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | cis | 161.4 | 100.7 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 464 | K | 34.8 | Very low | 35.7 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | | | trans | 63.1 | 160.5 | -176.2 | -77.9 | -168.5 | 173 | -163.7 | 0 | 113.8 | | |
| 465 | V | 37 | Very low | 36 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | | | cis | -121.5 | 163.1 | 24.8 | 173.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 466 | E | 32.5 | Very low | 35.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 65% | 0.645 | 82% | 0.818 | S | S | * | * | | | trans | -117 | 129.2 | -167.5 | 162.3 | -174.9 | -150.9 | 0 | 0 | 110.1 | | |
| 467 | I | 37.3 | Very low | 35.7 | Very low | 172 Ų | 172 | 138 Ų | 138 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | | | trans | -139.6 | 132.4 | 157.7 | -61.7 | -175.4 | 0 | 0 | 0 | 107.3 | | |
| 468 | Q | 35.3 | Very low | 35.5 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -134.7 | 129.8 | -174 | 178.9 | -169.2 | 99.4 | 0 | 0 | 110 | | |
| 469 | S | 31.4 | Very low | 35.7 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | 177.4 | 142.3 | 165.6 | 172.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 470 | S | 34.5 | Very low | 36.1 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | cis | -165.7 | 157.6 | -22.2 | -94.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 471 | D | 35.5 | Very low | 36.4 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -60.7 | 140.9 | 177.7 | -70.7 | -80.4 | 0 | 0 | 0 | 114 | | |
| 472 | L | 44.5 | Very low | 36.7 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 94% | 0.942 | 81% | 0.805 | S | S | * | * | | | trans | -143.1 | 124.3 | 139.1 | -85.1 | -172.4 | 0 | 0 | 0 | 110.3 | | |
| 473 | S | 38.8 | Very low | 37.3 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | trans | -103.2 | 132.3 | 171.7 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 474 | E | 36.9 | Very low | 37.9 | Very low | 208 Ų | 208 | 143.1 Ų | 143.1 | 97% | 0.972 | 80% | 0.803 | S | S | * | * | | | trans | -159.1 | 172.6 | 147.2 | -120.1 | 177.4 | 142.5 | 0 | 0 | 113.2 | | |
| 475 | A | 37 | Very low | 38.3 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -106.2 | 177.4 | -151 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 476 | C | 31.9 | Very low | 39 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | 80.8 | 134.9 | 163.6 | -137 | 0 | 0 | 0 | 0 | 116.7 | | |
| 477 | G | 33.6 | Very low | 39.6 | Very low | 64 Ų | 64 | 140.1 Ų | 140.1 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | cis | -172.8 | 177.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 478 | T | 37.8 | Very low | 40.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | | | trans | -19.1 | 131 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 479 | V | 41.6 | Very low | 41.2 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | | -144.8 | 118.7 | 117.8 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 480 | Q | 42.2 | Very low | 42.2 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -82.8 | 149.5 | 159.1 | -72.9 | 177 | -33.7 | 0 | 0 | 109.6 | | |
| 481 | N | 39.2 | Very low | 42.9 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | | | trans | -166.2 | 80.8 | 156.2 | -111.3 | -73.3 | 0 | 0 | 0 | 112.5 | K483 | N481-K483 PolarHBondContact O-N 3.34Š|
| 482 | D | 41.9 | Very low | 43.4 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | -66 | 108.9 | 170.4 | -69.8 | -76.5 | 0 | 0 | 0 | 111.7 | V484 | D482-V484 PolarHBondContact O-N 3.47Å; D482-V484 VanDerWaalsContact O-N 3.13Å |
| 483 | K | 46.7 | Very low | 44 | Very low | 190 Ų | 190 | 153.6 Ų | 153.6 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -86.3 | 83.1 | 173.7 | -77.8 | -172.2 | 175.4 | 176.2 | 0 | 111.7 | N481 T485 | N481-K483 PolarHBondContact O-N 3.34Å; K483-T485 PolarHBondContact O-N 3.45Å |
| 484 | V | 45.3 | Very low | 44.2 | Very low | 127 Ų | 127 | 156 Ų | 156 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | | | trans | -49.7 | 126.7 | 171 | 178 | 0 | 0 | 0 | 0 | 111.2 | D482 A486 | D482-V484 PolarHBondContact O-N 3.47Å; D482-V484 VanDerWaalsContact O-N 3.13Å; V484-A486 PolarHBondContact O-N 3.06Å; V484-A486 VanDerWaalsContact O-N 3.09Å |
| 485 | T | 44.5 | Very low | 44.6 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -77 | 95 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | K483 F487 | K483-T485 PolarHBondContact O-N 3.45Å; T485-F487 PolarHBondContact O-N 3.42Å |
| 486 | A | 49.9 | Very low | 45 | Very low | 87 Ų | 87 | 156.6 Ų | 156.6 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | | | trans | -74.1 | 112.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V484 | V484-A486 PolarHBondContact O-N 3.06Å; V484-A486 VanDerWaalsContact O-N 3.09Å |
| 487 | F | 45.2 | Very low | 45.8 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 135.2 | 169 | -81.1 | -103.6 | 0 | 0 | 0 | 110.8 | T485 | T485-F487 PolarHBondContact O-N 3.42Š|
| 488 | R | 50.7 | Low | 46.6 | Very low | 237 Ų | 237 | 163.6 Ų | 163.6 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 119.4 | 171.8 | -70.4 | -171.5 | 176.8 | -157.9 | -0.6 | 110.8 | | |
| 489 | P | 55.8 | Low | 47.2 | Very low | 124 Ų | 124 | 165.6 Ų | 165.6 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -66 | 138.8 | 168.8 | -19.2 | 32.6 | 0 | 0 | 0 | 111.3 | M491 | P489-M491 PolarHBondContact O-N 3.29Š|
| 490 | V | 52.3 | Low | 47.6 | Very low | 137 Ų | 137 | 168 Ų | 168 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | | | trans | -89.7 | 103.3 | 174.1 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | K492 | V490-K492 PolarHBondContact O-N 3.34Š|
| 491 | M | 49.2 | Very low | 48 | Very low | 174 Ų | 174 | 167.9 Ų | 167.9 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | | | trans | -70.7 | 123.2 | 163.5 | -71.6 | 179.7 | 69.9 | 0 | 0 | 109.4 | P489 | P489-M491 PolarHBondContact O-N 3.29Š|
| 492 | K | 46.9 | Very low | 48.7 | Very low | 194 Ų | 194 | 170.7 Ų | 170.7 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | | | trans | -75.1 | 145.8 | 161.2 | -71.4 | 179.7 | 176.8 | 177.1 | 0 | 109.5 | V490 | V490-K492 PolarHBondContact O-N 3.34Š|
| 493 | R | 56.1 | Low | 49.3 | Very low | 320 Ų | 320 | 173.3 Ų | 173.3 | 100% | 1.208 | 85% | 0.85 | S | S | * | * | | | trans | -118.1 | 0 | 151.1 | -78.8 | -176.4 | 174.2 | 168.7 | -2.2 | 107 | | |