| 1 | M | 36.1 | Very low | 41 | Very low | 237 Ų | 237 | 153.5 Ų | 153.5 | 100% | 1.167 | 80% | 0.804 | S | S | * | * | | | | 0 | 173.4 | 0 | -73.4 | 78.3 | 102.7 | 0 | 0 | 109 | | |
| 2 | S | 36.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 156.4 Ų | 156.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -55.6 | 168.2 | 174.3 | -42.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 3 | E | 41.1 | Very low | 39.5 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | cis | -162.6 | -179.4 | 37.6 | -98.7 | -156.6 | 98.2 | 0 | 0 | 110.3 | | |
| 4 | P | 63.6 | Low | 38.8 | Very low | 92 Ų | 92 | 148.6 Ų | 148.6 | 60% | 0.597 | 79% | 0.79 | S | S | * | * | | | cis | -141.8 | 174.5 | -44.5 | 39.9 | -22.2 | 0 | 0 | 0 | 115.1 | | |
| 5 | S | 40.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | 53.7 | 144.1 | 142.9 | 66.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 6 | G | 39.9 | Very low | 37.9 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 120.9 | 67.8 | 162 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 7 | E | 39.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | | 58.5 | 87.3 | 73.5 | -145.6 | -158.4 | -95.1 | 0 | 0 | 115.3 | | |
| 8 | R | 42.8 | Very low | 37.3 | Very low | 218 Ų | 218 | 145.4 Ų | 145.4 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | | 161.2 | 140.5 | 125.7 | -85.8 | 156.6 | -160.5 | -137.2 | -3.8 | 113.5 | | |
| 9 | L | 40.3 | Very low | 37 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -80.6 | 154.4 | 161.5 | -65 | 76.9 | 0 | 0 | 0 | 109 | | |
| 10 | F | 36.1 | Very low | 36.5 | Very low | 201 Ų | 201 | 139 Ų | 139 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | | | | 178.5 | 97 | 126.9 | -96.1 | -64.6 | 0 | 0 | 0 | 112.5 | | |
| 11 | F | 34.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | | 28.8 | 144.7 | 121.6 | -96.3 | -74.9 | 0 | 0 | 0 | 122.9 | | |
| 12 | F | 32.6 | Very low | 36.1 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | 73.4 | 155.1 | 169.2 | -80.3 | -115.5 | 0 | 0 | 0 | 117.7 | | |
| 13 | C | 29.6 | Very low | 35.8 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | cis | -170 | 167.1 | -32.7 | -159 | 0 | 0 | 0 | 0 | 111.1 | | |
| 14 | C | 30.5 | Very low | 35.3 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | | | trans | 56.6 | 107.8 | 158.5 | -79.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 15 | S | 33 | Very low | 34 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | | 59.1 | 145.8 | 108.4 | -53.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 16 | S | 29.4 | Very low | 33.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 79.5 | 148.5 | 153.4 | 84.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 17 | T | 35.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | cis | -162.1 | 179.2 | -11.2 | 8.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 18 | Q | 30.8 | Very low | 33.3 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | trans | 84.3 | 143.5 | 171 | -52.1 | -175.9 | 5.1 | 0 | 0 | 117.4 | | |
| 19 | G | 30 | Very low | 33.1 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | 150 | 130.5 | -16.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 20 | S | 28.1 | Very low | 32.9 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | 70.4 | 150.8 | 172.9 | -141 | 0 | 0 | 0 | 0 | 115.5 | | |
| 21 | F | 30.9 | Very low | 33 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | | | cis | -135.7 | 130.3 | 13.7 | -69.9 | -93.9 | 0 | 0 | 0 | 108.8 | | |
| 22 | Q | 32.8 | Very low | 33.2 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | | 82.8 | 130.4 | 79.3 | -86.4 | -72.3 | 16.7 | 0 | 0 | 117.6 | | |
| 23 | S | 30.6 | Very low | 33.8 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | 61 | 152.6 | 173 | 69.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 24 | G | 31.1 | Very low | 34.8 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | cis | 157.3 | 135.8 | -11.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 25 | L | 35.8 | Very low | 35.5 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | 68 | 162 | 179.1 | -46.8 | 176.2 | 0 | 0 | 0 | 114 | | |
| 26 | E | 30.2 | Very low | 36.1 | Very low | 164 Ų | 164 | 138.2 Ų | 138.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | cis | -156.3 | -177.1 | 10.3 | -150.7 | -148.2 | 81.3 | 0 | 0 | 112.6 | | |
| 27 | S | 32.5 | Very low | 36.8 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | trans | 72.2 | 88.8 | 153 | -101.7 | 0 | 0 | 0 | 0 | 121.6 | R29 | S27-R29 PolarHBondContact O-N 3.46Š|
| 28 | S | 41.9 | Very low | 37 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -71 | 111.5 | 151.5 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 29 | R | 38.9 | Very low | 37.7 | Very low | 228 Ų | 228 | 140.9 Ų | 140.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | -149.5 | 102.6 | 170.9 | -117.1 | 173.2 | -168.7 | -113.6 | 0.9 | 116.7 | S27 | S27-R29 PolarHBondContact O-N 3.46Š|
| 30 | S | 36.3 | Very low | 38.2 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 39.8 | 99.7 | 138.4 | -161.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 31 | T | 38.4 | Very low | 38.4 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -154.9 | 104.3 | 144.5 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 32 | R | 38 | Very low | 38.8 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | | 77 | 100.3 | 73.5 | -79 | -179.2 | 169.4 | -102.7 | -0 | 113.2 | | |
| 33 | H | 46.7 | Very low | 38.8 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | | | trans | 68.9 | 160.6 | 165.7 | -38.2 | -52.9 | 0 | 0 | 0 | 113 | | |
| 34 | H | 49.8 | Very low | 39.5 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | cis | -139.6 | 129.3 | 15.6 | -47.5 | -105.4 | 0 | 0 | 0 | 110.8 | | |
| 35 | G | 44.8 | Very low | 39.9 | Very low | 74 Ų | 74 | 158.9 Ų | 158.9 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | | | trans | -86.4 | 106.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 36 | L | 45.2 | Very low | 40.1 | Very low | 165 Ų | 165 | 160 Ų | 160 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -74 | 135.9 | -172.4 | -155.4 | 143.6 | 0 | 0 | 0 | 110.9 | | |
| 37 | V | 44.1 | Very low | 40.4 | Very low | 86 Ų | 86 | 159 Ų | 159 | 52% | 0.521 | 78% | 0.783 | S | S | . | * | | | trans | -96.1 | 102.3 | -164.5 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | R39 | V37-R39 HydrophobicContact CG1-CB 3.94Å; V37-R39 HydrophobicContact CG1-CG 3.55Å; V37-R39 PolarHBondContact O-N 3.24Å |
| 38 | E | 39.7 | Very low | 40.5 | Very low | 193 Ų | 193 | 159.5 Ų | 159.5 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | trans | -80 | 108.1 | 155.1 | -72.2 | -156.6 | 124.6 | 0 | 0 | 109.6 | | |
| 39 | R | 46.5 | Very low | 40.4 | Very low | 209 Ų | 209 | 159.6 Ų | 159.6 | 79% | 0.789 | 78% | 0.784 | S | S | * | * | | | trans | -125 | 87.3 | 170.6 | -90.3 | -177.7 | -179.3 | 122.1 | 1 | 110.1 | V37 | V37-R39 HydrophobicContact CG1-CB 3.94Å; V37-R39 HydrophobicContact CG1-CG 3.55Å; V37-R39 PolarHBondContact O-N 3.24Å |
| 40 | V | 39.3 | Very low | 40.3 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -141.4 | 129.8 | 167.5 | -175.5 | 0 | 0 | 0 | 0 | 105.8 | | |
| 41 | Q | 33.2 | Very low | 40.6 | Very low | 173 Ų | 173 | 160.3 Ų | 160.3 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | cis | -143.5 | 155 | -17.7 | 177.3 | 75.3 | -26.8 | 0 | 0 | 105 | D43 | Q41-D43 PolarHBondContact O-N 3.42Š|
| 42 | R | 39.8 | Very low | 40.7 | Very low | 227 Ų | 227 | 160.3 Ų | 160.3 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -71.5 | 124.5 | 169.4 | -71.4 | -176.5 | 177 | 95.6 | -5.1 | 110.1 | | |
| 43 | D | 31.8 | Very low | 40.5 | Very low | 120 Ų | 120 | 162.4 Ų | 162.4 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | | | trans | -122.4 | 140.7 | 132.9 | -163.4 | -0.2 | 0 | 0 | 0 | 108.8 | Q41 R45 | Q41-D43 PolarHBondContact O-N 3.42Å; D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 PolarHBondContact OD1-NH2 3.46Å; D43-R45 IonicContact OD2-CZ 3.66Å; D43-R45 IonicContact OD2-NE 3.9Å; D43-R45 IonicContact OD2-NH2 3.3Å; D43-R45 PolarHBondContact OD2-NH2 3.14Å |
| 44 | R | 45.3 | Very low | 39.9 | Very low | 212 Ų | 212 | 165.1 Ų | 165.1 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -102.5 | 114.5 | 172.1 | -74.9 | -177.8 | 179 | -99 | 13.6 | 107.5 | | |
| 45 | R | 39 | Very low | 39.2 | Very low | 206 Ų | 206 | 163.3 Ų | 163.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -146.4 | 129.4 | 156 | -116.6 | 156 | -74.9 | -147.2 | 5.7 | 111.9 | D43 | D43-R45 IonicContact OD1-NE 2.67Å; D43-R45 IonicContact OD1-NH2 2.68Å; D43-R45 PolarHBondContact OD1-NH2 3.46Å; D43-R45 IonicContact OD2-CZ 3.66Å; D43-R45 IonicContact OD2-NE 3.9Å; D43-R45 IonicContact OD2-NH2 3.3Å; D43-R45 PolarHBondContact OD2-NH2 3.14Å |
| 46 | F | 40.3 | Very low | 38.8 | Very low | 200 Ų | 200 | 170.4 Ų | 170.4 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -67.7 | 138.9 | -175.4 | -60.6 | -112.2 | 0 | 0 | 0 | 111.2 | | |
| 47 | V | 37.5 | Very low | 38.2 | Very low | 143 Ų | 143 | 168.1 Ų | 168.1 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -143.4 | 127.7 | 134.7 | -177 | 0 | 0 | 0 | 0 | 108.2 | | |
| 48 | S | 34.4 | Very low | 37.8 | Very low | 94 Ų | 94 | 171.1 Ų | 171.1 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | | | trans | -110.5 | 135.1 | 160.4 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | V50 | S48-V50 PolarHBondContact O-N 3.4Š|
| 49 | P | 40.2 | Very low | 37.5 | Very low | 131 Ų | 131 | 168.7 Ų | 168.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -80 | 79.2 | -173.9 | 32.3 | -35.4 | 0 | 0 | 0 | 112.4 | | |
| 50 | V | 36.6 | Very low | 36.6 | Very low | 122 Ų | 122 | 165.8 Ų | 165.8 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | trans | -110.3 | 128.8 | 167.7 | -179 | 0 | 0 | 0 | 0 | 109.3 | S48 | S48-V50 PolarHBondContact O-N 3.4Š|
| 51 | R | 42.6 | Very low | 36.3 | Very low | 229 Ų | 229 | 164.2 Ų | 164.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -82.4 | 148.5 | 174.5 | -61.3 | -176.7 | -178.2 | -175.3 | 1.5 | 110.6 | | |
| 52 | P | 40.8 | Very low | 36.5 | Very low | 128 Ų | 128 | 162.8 Ų | 162.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | | -142.7 | -178.5 | 113.4 | 32 | -14.5 | 0 | 0 | 0 | 115.3 | | |
| 53 | Y | 33.4 | Very low | 36.2 | Very low | 216 Ų | 216 | 162.4 Ų | 162.4 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -84.7 | 147 | -176.4 | -81.5 | -121.1 | 0 | 0 | 0 | 113.9 | | |
| 54 | R | 34.8 | Very low | 36.4 | Very low | 229 Ų | 229 | 161.2 Ų | 161.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | | 179.9 | 119.3 | 113.2 | -101.4 | -76.5 | -179.4 | 176.7 | -1.1 | 115.4 | | |
| 55 | N | 34.5 | Very low | 35.9 | Very low | 132 Ų | 132 | 157.6 Ų | 157.6 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -24.6 | 136.4 | 158.4 | -174.1 | 1.3 | 0 | 0 | 0 | 119.4 | Q57 | N55-Q57 PolarHBondContact OD1-N 2.89Š|
| 56 | R | 35.3 | Very low | 36.1 | Very low | 224 Ų | 224 | 151.7 Ų | 151.7 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -141.9 | 110.8 | 147.1 | -123.2 | -171.1 | 170.3 | 168.3 | 0.7 | 108.9 | | |
| 57 | Q | 32.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 54% | 0.542 | 78% | 0.782 | S | S | . | * | | | | 66.3 | 97.5 | 101.7 | -167.8 | -179 | -5 | 0 | 0 | 116.2 | N55 E59 | N55-Q57 PolarHBondContact OD1-N 2.89Å; Q57-E59 HydrophobicContact CG-CG 4.35Å; Q57-E59 PolarHBondContact NE2-OE1 3.42Å |
| 58 | V | 35.9 | Very low | 36.4 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | | | trans | -131.7 | 152.3 | 143.3 | 178.2 | 0 | 0 | 0 | 0 | 106.2 | | |
| 59 | E | 33 | Very low | 36.4 | Very low | 142 Ų | 142 | 155 Ų | 155 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | trans | -112.6 | 177.2 | -156.3 | -67.4 | 161.9 | 179.7 | 0 | 0 | 113.8 | Q57 | Q57-E59 HydrophobicContact CG-CG 4.35Å; Q57-E59 PolarHBondContact NE2-OE1 3.42Å |
| 60 | N | 28.9 | Very low | 37.1 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | 69.5 | 143.6 | -178.3 | -91.3 | -8.9 | 0 | 0 | 0 | 116.8 | | |
| 61 | S | 31.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | cis | -131.5 | 162.2 | 3.7 | -74.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 62 | L | 39.4 | Very low | 38 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -77.8 | 144.6 | -176.8 | -51.4 | 92.1 | 0 | 0 | 0 | 112.7 | | |
| 63 | Y | 33.4 | Very low | 38.2 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | | | | 179.9 | 157.4 | 109.3 | -105 | -78.6 | 0 | 0 | 0 | 112.4 | | |
| 64 | S | 34.6 | Very low | 38.7 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | trans | 72.1 | 94.5 | 163.2 | -60.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 65 | T | 36.2 | Very low | 39 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | | 59.4 | 121.3 | 127.4 | 59.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 66 | A | 43.1 | Very low | 39.4 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -24.6 | 147.3 | 141.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 67 | Y | 42.8 | Very low | 40 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | cis | -122.1 | 156.3 | 41.3 | -95.9 | -109.5 | 0 | 0 | 0 | 116.1 | | |
| 68 | L | 40.2 | Very low | 40.2 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 131.8 | 170.6 | -75.4 | 153.8 | 0 | 0 | 0 | 110.9 | | |
| 69 | S | 34.4 | Very low | 40.3 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 135.9 | 152.2 | -66.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 70 | P | 54.6 | Low | 40.9 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 156.6 | 170.2 | 30.3 | -34.5 | 0 | 0 | 0 | 110.7 | | |
| 71 | P | 46.9 | Very low | 41 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151.9 | 169.1 | 29.9 | -35.2 | 0 | 0 | 0 | 110.7 | D73 | P71-D73 PolarHBondContact O-N 3.08Å; P71-D73 VanDerWaalsContact O-N 3.08Å |
| 72 | P | 52.2 | Low | 41.3 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -76.6 | 96.5 | -179.5 | 30.3 | -34.2 | 0 | 0 | 0 | 111.7 | | |
| 73 | D | 44 | Very low | 41.1 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | -68.7 | 149.3 | 169.4 | -75.7 | -43.5 | 0 | 0 | 0 | 112.2 | P71 S75 | P71-D73 PolarHBondContact O-N 3.08Å; P71-D73 VanDerWaalsContact O-N 3.08Å; D73-S75 PolarHBondContact O-N 3.12Å; D73-S75 VanDerWaalsContact O-N 3.16Å |
| 74 | A | 43.8 | Very low | 40.9 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 106.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W76 | A74-W76 VanDerWaalsContact O-CD1 3.28Å; A74-W76 PolarHBondContact O-N 3.1Å; A74-W76 VanDerWaalsContact O-N 3.16Å |
| 75 | S | 41.6 | Very low | 40.7 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -89.5 | 59.9 | -168.5 | 52.9 | 0 | 0 | 0 | 0 | 115.8 | D73 R77 | D73-S75 PolarHBondContact O-N 3.12Å; D73-S75 VanDerWaalsContact O-N 3.16Å; S75-R77 PolarHBondContact O-N 3.02Å; S75-R77 VanDerWaalsContact O-N 3.09Å |
| 76 | W | 43.7 | Very low | 40.8 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -77.3 | 19.5 | 172.1 | 56.6 | -84.9 | 0 | 0 | 0 | 114.6 | A74 | A74-W76 VanDerWaalsContact O-CD1 3.28Å; A74-W76 PolarHBondContact O-N 3.1Å; A74-W76 VanDerWaalsContact O-N 3.16Å |
| 77 | R | 46.9 | Very low | 40.5 | Very low | 207 Ų | 207 | 152.1 Ų | 152.1 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | -145.4 | 51.4 | -175.7 | -68.5 | -167.9 | 168.7 | -147.1 | -5.7 | 113.9 | S75 | S75-R77 PolarHBondContact O-N 3.02Å; S75-R77 VanDerWaalsContact O-N 3.09Å |
| 78 | S | 38.4 | Very low | 40.2 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -139.9 | 41.7 | 179.7 | -166.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 79 | E | 36.4 | Very low | 39.9 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | | | trans | -130.1 | 86.9 | 154.4 | -79.4 | -150.8 | 150 | 0 | 0 | 111.4 | | |
| 80 | R | 46.5 | Very low | 40 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | | | trans | -163.8 | 78.2 | 149.3 | -107.8 | -159.4 | -59.5 | -155.6 | 2.5 | 109.8 | | |
| 81 | N | 31.8 | Very low | 39.2 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | -146 | 124.6 | 157.3 | -150.3 | -13.8 | 0 | 0 | 0 | 110 | | |
| 82 | W | 36.9 | Very low | 38.6 | Very low | 257 Ų | 257 | 148.6 Ų | 148.6 | 97% | 0.973 | 79% | 0.791 | S | S | * | * | | | trans | -125.4 | 108.5 | 179.2 | -91 | 54 | 0 | 0 | 0 | 107.1 | | |
| 83 | S | 34.1 | Very low | 38.1 | Very low | 105 Ų | 105 | 148.9 Ų | 148.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -158.1 | 116.5 | 176.7 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 84 | G | 31 | Very low | 38 | Very low | 78 Ų | 78 | 151.8 Ų | 151.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 84.1 | 139.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 85 | N | 29.9 | Very low | 37.4 | Very low | 160 Ų | 160 | 158.2 Ų | 158.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | cis | -152.1 | 148.2 | -4.3 | -157.8 | 29.3 | 0 | 0 | 0 | 111.6 | | |
| 86 | F | 37.8 | Very low | 37.4 | Very low | 188 Ų | 188 | 160.7 Ų | 160.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -94 | 155.1 | 176 | -81.7 | -86.5 | 0 | 0 | 0 | 111.9 | | |
| 87 | P | 37.4 | Very low | 37.2 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | | -108.4 | 150.9 | 111.2 | 33.8 | -34.7 | 0 | 0 | 0 | 109.5 | | |
| 88 | G | 36.1 | Very low | 36.8 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | | | cis | 87.7 | 112.6 | 40.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 89 | D | 34.5 | Very low | 37.3 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 63% | 0.631 | 79% | 0.791 | S | S | * | * | | | cis | -160 | 175.5 | 24.6 | 57.7 | -2.2 | 0 | 0 | 0 | 115.6 | | |
| 90 | K | 36.6 | Very low | 37.5 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | trans | 43.5 | 106.9 | 159.7 | -56.4 | 146.7 | -167.4 | 157.9 | 0 | 117.3 | | |
| 91 | S | 35.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | | -178.7 | 146.3 | 78.4 | 39.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 92 | Q | 35.9 | Very low | 38.1 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | | | trans | 39.3 | 105.2 | 154.6 | -55.7 | -163.8 | 28.7 | 0 | 0 | 122 | | |
| 93 | L | 40.7 | Very low | 38.6 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | | | | 65.3 | 148.9 | 125.6 | -62.2 | 165.6 | 0 | 0 | 0 | 120.6 | | |
| 94 | F | 41.5 | Very low | 39 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 90% | 0.899 | 77% | 0.765 | S | S | * | * | | | trans | 61.8 | 50.9 | 175.2 | -56.5 | -71 | 0 | 0 | 0 | 117.6 | | |
| 95 | R | 32.2 | Very low | 39.5 | Very low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | | | trans | -119 | 111.7 | 138.3 | -179.4 | 161.8 | -74.3 | -141.7 | -2.3 | 109.9 | | |
| 96 | L | 41.2 | Very low | 40.4 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -55.2 | 148.4 | 166.2 | -67 | 164.1 | 0 | 0 | 0 | 109.7 | T98 | L96-T98 PolarHBondContact O-N 2.96Å; L96-T98 VanDerWaalsContact O-N 3.13Å |
| 97 | P | 39.3 | Very low | 40.6 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | trans | -56.6 | 119.6 | 165.6 | -21.3 | 33 | 0 | 0 | 0 | 109.5 | T99 | P97-T99 HydrophobicContact CB-CG2 4.04Å; P97-T99 PolarHBondContact O-N 3.24Å |
| 98 | T | 38.6 | Very low | 41.6 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | | | trans | -75.3 | 31 | 177.4 | -13.9 | 0 | 0 | 0 | 0 | 112.7 | L96 A100 | L96-T98 PolarHBondContact O-N 2.96Å; L96-T98 VanDerWaalsContact O-N 3.13Å; T98-A100 PolarHBondContact O-N 3.02Å |
| 99 | T | 49.1 | Very low | 42 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 51 | -177.2 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | P97 | P97-T99 HydrophobicContact CB-CG2 4.04Å; P97-T99 PolarHBondContact O-N 3.24Å |
| 100 | A | 40.8 | Very low | 42 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.7 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T98 N102 R103 | T98-A100 PolarHBondContact O-N 3.02Å; A100-N102 PolarHBondContact O-N 2.61Å; A100-R103 PolarHBondContact O-N 3.35Å |
| 101 | L | 42.9 | Very low | 42.2 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 17.8 | -171.2 | -112.9 | 166.8 | 0 | 0 | 0 | 115.6 | | |
| 102 | N | 48.9 | Very low | 42.5 | Very low | 174 Ų | 174 | 145 Ų | 145 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 29.4 | 163.1 | -83.9 | -48.8 | 0 | 0 | 0 | 110.9 | A100 | A100-N102 PolarHBondContact O-N 2.61Š|
| 103 | R | 47.5 | Very low | 42.5 | Very low | 218 Ų | 218 | 143.5 Ų | 143.5 | 82% | 0.823 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -131.5 | 19.9 | 174.7 | -153.3 | -179 | -82.6 | -97.8 | 6.7 | 114 | A100 | A100-R103 PolarHBondContact O-N 3.35Š|
| 104 | W | 42.2 | Very low | 42.6 | Very low | 187 Ų | 187 | 142.2 Ų | 142.2 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -157.7 | 101.7 | 156.8 | -107.5 | -22.4 | 0 | 0 | 0 | 104.6 | S107 | W104-S107 PolarHBondContact NE1-O 3.06Š|
| 105 | T | 40.5 | Very low | 42.2 | Very low | 151 Ų | 151 | 139.5 Ų | 139.5 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | S | Bend | | -134.5 | 22.6 | 96.4 | 48.5 | 0 | 0 | 0 | 0 | 114 | | |
| 106 | N | 50 | Low | 42.5 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -130.4 | 161.2 | 163.8 | -161.5 | -101.1 | 0 | 0 | 0 | 109.1 | | |
| 107 | S | 40.7 | Very low | 42.1 | Very low | 78 Ų | 78 | 136.9 Ų | 136.9 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | | | trans | 61.8 | 112.6 | -152 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | W104 | W104-S107 PolarHBondContact NE1-O 3.06Š|
| 108 | D | 58.6 | Low | 42.8 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | | 60.7 | 120.3 | 59.3 | -169.1 | 20.5 | 0 | 0 | 0 | 112 | | |
| 109 | S | 43.9 | Very low | 42.6 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | | | trans | -176 | 103.9 | 179.2 | -75.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 110 | A | 35.9 | Very low | 41.8 | Very low | 73 Ų | 73 | 140.7 Ų | 140.7 | 60% | 0.603 | 78% | 0.778 | S | S | * | * | | | | 177.7 | 94.2 | 113 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 111 | L | 39.6 | Very low | 41.2 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | | -133.7 | 147.1 | 125.8 | -78.2 | -174.8 | 0 | 0 | 0 | 108.4 | | |
| 112 | H | 41.8 | Very low | 40.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | | | trans | -95.1 | 176.6 | -178.5 | -58.8 | -97.3 | 0 | 0 | 0 | 108.2 | | |
| 113 | T | 36.2 | Very low | 39.4 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | cis | -152.3 | 174 | 37.5 | 50.5 | 0 | 0 | 0 | 0 | 113 | | |
| 114 | S | 43 | Very low | 38.5 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -97.4 | 144 | -173.8 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 115 | V | 32.9 | Very low | 38 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | | | trans | -131.1 | 145.8 | 156.9 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 116 | M | 38.7 | Very low | 37.6 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -91.5 | 149.5 | -171.9 | -71.7 | -80.6 | -154.8 | 0 | 0 | 113.6 | | |
| 117 | N | 33.4 | Very low | 36.5 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | | | | -169.1 | 158.2 | 105.6 | -112.7 | -4.6 | 0 | 0 | 0 | 113.7 | | |
| 118 | P | 53.6 | Low | 36.5 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | | | trans | -98.9 | 169.6 | -173.3 | 39.4 | -36.1 | 0 | 0 | 0 | 113.9 | | |
| 119 | P | 34.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -128.7 | 128.7 | 141.7 | 34.7 | -23.4 | 0 | 0 | 0 | 114 | | |
| 120 | M | 30.9 | Very low | 34.7 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | | | trans | 11.8 | 134.2 | 145.6 | -50.3 | -179.2 | -65.4 | 0 | 0 | 120.1 | | |
| 121 | G | 30 | Very low | 34.6 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | | | trans | 163.2 | 84.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 122 | D | 26.5 | Very low | 35.2 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | | | trans | -4.9 | 142.7 | 166.1 | -56.6 | -42.9 | 0 | 0 | 0 | 121.1 | | |
| 123 | F | 27.6 | Very low | 34.7 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | | -159.7 | 145.7 | 103.7 | -101.5 | -66.3 | 0 | 0 | 0 | 112.7 | | |
| 124 | S | 27 | Very low | 34.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | -77 | 160.1 | -169.4 | -35.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 125 | M | 32 | Very low | 34 | Very low | 188 Ų | 188 | 132.3 Ų | 132.3 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | | | | -179.4 | 97.7 | 124.1 | -95.3 | -54.6 | 171.8 | 0 | 0 | 113 | | |
| 126 | A | 32.5 | Very low | 33.9 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -177 | 142.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 127 | G | 27.4 | Very low | 33.8 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | | | trans | -84 | -179.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 128 | P | 39.4 | Very low | 33.7 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | | | cis | -123.3 | -173.8 | 44.7 | 40.2 | -29.4 | 0 | 0 | 0 | 116.1 | | |
| 129 | A | 32.4 | Very low | 32.6 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | | | trans | -69.4 | 160.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 130 | L | 32 | Very low | 32.5 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | | | | -176.2 | 98.3 | 118.9 | -96.5 | 173.6 | 0 | 0 | 0 | 114.6 | | |
| 131 | T | 35.1 | Very low | 32.7 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | | | trans | 61.4 | 162.7 | 146.7 | 45.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 132 | P | 51.3 | Low | 33 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 68% | 0.682 | 81% | 0.814 | S | S | * | * | | | trans | -128.8 | 164.3 | -159 | 43 | -28.9 | 0 | 0 | 0 | 118 | | |
| 133 | Q | 33 | Very low | 33.4 | Very low | 201 Ų | 201 | 127 Ų | 127 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | 163.3 | 157.2 | 147.6 | -92.7 | 155.7 | 101.5 | 0 | 0 | 110.1 | | |
| 134 | G | 30.3 | Very low | 34 | Very low | 68 Ų | 68 | 123 Ų | 123 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | | | cis | 164.8 | 146.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 135 | A | 33 | Very low | 34.6 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 98% | 0.983 | 82% | 0.815 | S | S | * | * | | | trans | 63.1 | 164.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 136 | G | 30.5 | Very low | 35 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | -169.4 | -77.2 | -177 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 137 | R | 37.2 | Very low | 35.3 | Very low | 247 Ų | 247 | 125.8 Ų | 125.8 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | 59.5 | 134.8 | 175.4 | -71 | 177.1 | 147.3 | -136.4 | -3 | 120.8 | | |
| 138 | S | 30.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | 72.6 | 150.5 | 147 | -152.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 139 | G | 30.3 | Very low | 35.8 | Very low | 58 Ų | 58 | 126.7 Ų | 126.7 | 60% | 0.598 | 81% | 0.808 | S | S | * | * | | | cis | 165.2 | -178.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 140 | S | 34 | Very low | 35.8 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | 63.9 | -179.8 | 176.8 | 39.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 141 | D | 35.7 | Very low | 36.7 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | | | | -147.4 | 165.9 | -129.9 | 60.3 | -55.4 | 0 | 0 | 0 | 116.8 | | |
| 142 | G | 35.3 | Very low | 36.7 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 81.8 | 98.5 | 147.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 143 | S | 34.7 | Very low | 36.3 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -167.3 | 175.6 | 131.2 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 144 | V | 40.7 | Very low | 36.7 | Very low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | | | trans | -118.9 | 157.2 | -171 | -167.2 | 0 | 0 | 0 | 0 | 111 | | |
| 145 | L | 39.5 | Very low | 37.2 | Very low | 146 Ų | 146 | 133 Ų | 133 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | 101.9 | 120.9 | 163.3 | -56.6 | 174 | 0 | 0 | 0 | 118.3 | | |
| 146 | H | 40.5 | Very low | 37.5 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | trans | 41.6 | 110.1 | 153.5 | -62.2 | -79.1 | 0 | 0 | 0 | 121.6 | | |
| 147 | P | 39 | Very low | 38.2 | Very low | 134 Ų | 134 | 138 Ų | 138 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -70 | 146 | 157 | -15.7 | 31.6 | 0 | 0 | 0 | 112.5 | | |
| 148 | A | 34.9 | Very low | 38.7 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 163.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 149 | V | 41.3 | Very low | 39 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 131.9 | 167.3 | 179 | 0 | 0 | 0 | 0 | 109.4 | | |
| 150 | F | 33.4 | Very low | 39.2 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 124.4 | 175.6 | -93.3 | -88.1 | 0 | 0 | 0 | 112 | | |
| 151 | P | 51.3 | Low | 39.5 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 161.2 | 161.9 | 35.8 | -32.8 | 0 | 0 | 0 | 111.1 | | |
| 152 | Y | 34.5 | Very low | 39.7 | Very low | 223 Ų | 223 | 142.3 Ų | 142.3 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | trans | -123.8 | 131.5 | 171.3 | -133.5 | -84.9 | 0 | 0 | 0 | 110.4 | | |
| 153 | P | 42.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | trans | -82.3 | 154.2 | -178.1 | -11 | 28.6 | 0 | 0 | 0 | 113.6 | | |
| 154 | V | 40.9 | Very low | 39.8 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | -111.2 | 137.4 | 167.5 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 155 | P | 40.3 | Very low | 39.9 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | -70.2 | 153.5 | -178 | 28.5 | -35.8 | 0 | 0 | 0 | 113 | | |
| 156 | P | 41.3 | Very low | 39.8 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -78.5 | 153.7 | -178.6 | 33.4 | -35.9 | 0 | 0 | 0 | 112.8 | | |
| 157 | I | 45 | Very low | 39.7 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -124.8 | 147.1 | 159.9 | -71 | 179.4 | 0 | 0 | 0 | 107.1 | | |
| 158 | E | 47 | Very low | 40 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -78.8 | 148.7 | -152.8 | -61.8 | 172 | 150.7 | 0 | 0 | 114.3 | | |
| 159 | E | 37.2 | Very low | 40 | Very low | 178 Ų | 178 | 154 Ų | 154 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -70.8 | 142.4 | 171.6 | 63.8 | -160.9 | 114 | 0 | 0 | 111.3 | | |
| 160 | N | 33.2 | Very low | 39.8 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -139.5 | 111.3 | 166.9 | -150.1 | -44.4 | 0 | 0 | 0 | 108.8 | | |
| 161 | V | 41.4 | Very low | 39.8 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 70% | 0.697 | 79% | 0.794 | S | S | * | * | | | trans | -99 | 120.2 | -172.8 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 162 | L | 38.4 | Very low | 39 | Very low | 159 Ų | 159 | 154.4 Ų | 154.4 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -148.9 | 141.5 | 154.8 | -160.1 | 60.2 | 0 | 0 | 0 | 110 | | |
| 163 | D | 38.5 | Very low | 39.3 | Very low | 123 Ų | 123 | 147.2 Ų | 147.2 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | | | trans | -60.4 | 165.2 | 177.6 | -72.9 | -123.1 | 0 | 0 | 0 | 113.4 | | |
| 164 | E | 35.2 | Very low | 39.1 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | | -174.2 | 125.9 | 113.8 | -85.1 | -41.5 | 130 | 0 | 0 | 109.5 | K166 | E164-K166 PolarHBondContact O-N 3.28Š|
| 165 | D | 42 | Very low | 38.9 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | trans | -73.6 | 117.7 | -174.7 | -110.7 | -43.6 | 0 | 0 | 0 | 113.2 | | |
| 166 | K | 37.6 | Very low | 38.9 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | | | trans | -155.4 | 95.7 | 158.2 | -134.3 | 113.5 | -172 | -63 | 0 | 118.1 | E164 | E164-K166 PolarHBondContact O-N 3.28Š|
| 167 | L | 38.8 | Very low | 38.2 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | | 54.5 | 134.5 | 129.6 | -81.8 | 170.3 | 0 | 0 | 0 | 122.5 | | |
| 168 | L | 44.7 | Very low | 37.9 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | 79.4 | 84.2 | 156.4 | -58.4 | 162.3 | 0 | 0 | 0 | 116.1 | | |
| 169 | K | 35.1 | Very low | 37.6 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | | 75 | 82 | 57.9 | -161.7 | 178 | -176.6 | 173.4 | 0 | 114 | | |
| 170 | A | 37.8 | Very low | 37.7 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -68.1 | 171.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 171 | W | 33.7 | Very low | 37.7 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | | | trans | 73.5 | 99.1 | -170.6 | -65 | 85 | 0 | 0 | 0 | 116.4 | | |
| 172 | D | 33.7 | Very low | 37.9 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | | | | -142.5 | 147.6 | 108.9 | -167.1 | 11.8 | 0 | 0 | 0 | 109.7 | K174 | D172-K174 IonicContact OD1-NZ 2.87Å; D172-K174 PolarHBondContact OD1-NZ 3.08Å; D172-K174 IonicContact OD2-NZ 3.65Å; D172-K174 PolarHBondContact OD2-NZ 2.88Å |
| 173 | A | 41.5 | Very low | 38.1 | Very low | 72 Ų | 72 | 147.7 Ų | 147.7 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | | | trans | -128.5 | 111.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 174 | K | 37.4 | Very low | 38.2 | Very low | 157 Ų | 157 | 151 Ų | 151 | 68% | 0.683 | 78% | 0.782 | S | S | * | * | | | trans | 170.4 | 108 | 158 | 47.5 | -150.5 | 171.5 | -74.5 | 0 | 113.4 | D172 | D172-K174 IonicContact OD1-NZ 2.87Å; D172-K174 PolarHBondContact OD1-NZ 3.08Å; D172-K174 IonicContact OD2-NZ 3.65Å; D172-K174 PolarHBondContact OD2-NZ 2.88Å |
| 175 | K | 36.5 | Very low | 38.6 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | | 178.2 | 130 | 123.8 | -102.3 | -177 | 175.9 | -177.8 | 0 | 114.1 | | |
| 176 | L | 40.3 | Very low | 38.7 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | 71 | 128 | 144.5 | -59.3 | 172.6 | 0 | 0 | 0 | 121.2 | | |
| 177 | S | 28.4 | Very low | 39 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 69.8 | 88.9 | 141.7 | -54.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 178 | L | 37.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -57.5 | 144.5 | 141 | -72.4 | 166.6 | 0 | 0 | 0 | 109.3 | | |
| 179 | P | 41.4 | Very low | 39.2 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | | -141.2 | 154.8 | 81.1 | 38.8 | -24.4 | 0 | 0 | 0 | 116.7 | | |
| 180 | S | 38.3 | Very low | 39.9 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 12.5 | 115.9 | 150.4 | -168.7 | 0 | 0 | 0 | 0 | 119 | | |
| 181 | S | 34.3 | Very low | 40.4 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -144.2 | 125.8 | 149 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 182 | R | 44.9 | Very low | 41.1 | Very low | 223 Ų | 223 | 137.7 Ų | 137.7 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53 | 142.9 | 167.5 | 178.7 | -174.1 | -174.2 | -173.6 | 2.7 | 110.4 | K184 | R182-K184 PolarHBondContact O-N 3.23Š|
| 183 | P | 41.8 | Very low | 41.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.4 | 178.7 | 24.9 | -34.1 | 0 | 0 | 0 | 111.1 | | |
| 184 | K | 40.7 | Very low | 41.5 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 138.6 | 179.4 | -61.7 | 176.9 | -176.9 | 176.3 | 0 | 109.5 | R182 | R182-K184 PolarHBondContact O-N 3.23Š|
| 185 | S | 43.4 | Very low | 41.6 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 138.5 | 175.7 | -170.8 | 0 | 0 | 0 | 0 | 111 | | |
| 186 | C | 44.4 | Very low | 41.3 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | 28.9 | 90.8 | 157.1 | -58.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 187 | E | 44.3 | Very low | 41.7 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 118.5 | 163.8 | -164.6 | 165.4 | 136 | 0 | 0 | 109.5 | | |
| 188 | V | 45.5 | Very low | 42 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96 | 123.1 | 179.9 | 179.3 | 0 | 0 | 0 | 0 | 109 | G190 | V188-G190 PolarHBondContact O-N 3.46Š|
| 189 | P | 42.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 124.3 | -179.6 | -24.2 | 34.2 | 0 | 0 | 0 | 112.5 | | |
| 190 | G | 49.7 | Very low | 42.1 | Very low | 76 Ų | 76 | 138.9 Ų | 138.9 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 156.1 | -17.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | V188 | V188-G190 PolarHBondContact O-N 3.46Š|
| 191 | I | 48.4 | Very low | 41.8 | Very low | 141 Ų | 141 | 138.1 Ų | 138.1 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | -108.3 | 92.8 | -171.7 | 50.6 | 164.7 | 0 | 0 | 0 | 114.4 | I193 | I191-I193 HydrophobicContact CB-CG1 4.47Å; I191-I193 HydrophobicContact CD1-CD1 4.29Å; I191-I193 PolarHBondContact O-N 3.21Å |
| 192 | N | 48.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -74.2 | 99.7 | 167.9 | -73.8 | -24 | 0 | 0 | 0 | 110.7 | | |
| 193 | I | 45.6 | Very low | 41.7 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | trans | -109.3 | 98.6 | 174.2 | -55.6 | 178.9 | 0 | 0 | 0 | 109.3 | I191 | I191-I193 HydrophobicContact CB-CG1 4.47Å; I191-I193 HydrophobicContact CD1-CD1 4.29Å; I191-I193 PolarHBondContact O-N 3.21Å |
| 194 | F | 36.2 | Very low | 41.3 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -71 | 131.4 | 169.3 | -77.3 | -89.3 | 0 | 0 | 0 | 110.4 | | |
| 195 | T | 40.8 | Very low | 41.1 | Very low | 129 Ų | 129 | 136 Ų | 136 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -101.7 | 133 | 165.7 | 46 | 0 | 0 | 0 | 0 | 110.1 | | |
| 196 | S | 30.6 | Very low | 40.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -155.6 | 156.7 | 175.7 | -85.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 197 | P | 47.6 | Very low | 40.3 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -119.4 | 159.7 | -136.8 | 40.1 | -31.5 | 0 | 0 | 0 | 117.1 | | |
| 198 | E | 35.8 | Very low | 40 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | 74.4 | 138 | 145 | -93.3 | -176.8 | 83 | 0 | 0 | 124 | | |
| 199 | Q | 33.2 | Very low | 39.4 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | trans | 83.6 | 153.5 | 147.4 | -75.3 | -167.4 | 47.2 | 0 | 0 | 120.3 | | |
| 200 | P | 47.1 | Very low | 39.6 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -133 | 168 | -131.2 | 43.9 | -30.7 | 0 | 0 | 0 | 116.7 | | |
| 201 | S | 31.1 | Very low | 39.5 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | 176.2 | 133.6 | 133.9 | 52.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 202 | T | 33.6 | Very low | 39.1 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | 63.4 | 156.4 | 150.3 | 52 | 0 | 0 | 0 | 0 | 121.4 | | |
| 203 | P | 43.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -115.2 | 144.2 | -168.1 | 39.3 | -27.2 | 0 | 0 | 0 | 115.9 | | |
| 204 | V | 34.4 | Very low | 39 | Very low | 152 Ų | 152 | 133.5 Ų | 133.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -138.7 | 153.3 | 163.6 | -178.9 | 0 | 0 | 0 | 0 | 109 | | |
| 205 | Q | 36.1 | Very low | 39.9 | Very low | 196 Ų | 196 | 128.6 Ų | 128.6 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -79.6 | 151.7 | -171.6 | -55.8 | 172.4 | -74.2 | 0 | 0 | 114 | | |
| 206 | G | 34.4 | Very low | 40.3 | Very low | 68 Ų | 68 | 127.9 Ų | 127.9 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | trans | 152.7 | 103.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 207 | V | 36.8 | Very low | 42 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | 69.8 | 142.6 | 157.7 | -174.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 208 | P | 38.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -95.3 | 147.3 | -160.6 | 35.6 | -35 | 0 | 0 | 0 | 115.6 | | |
| 209 | Q | 32.3 | Very low | 43.8 | Very low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -126.4 | 126.1 | 153.1 | -75.4 | -167.7 | -19.4 | 0 | 0 | 109.8 | | |
| 210 | V | 46.4 | Very low | 44.9 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | | | trans | -145.8 | 118 | 171.5 | -170.6 | 0 | 0 | 0 | 0 | 105.8 | N212 | V210-N212 HydrophobicContact CG1-CB 4.27Å; V210-N212 VanDerWaalsContact CG1-N 3.33Å |
| 211 | P | 47.5 | Very low | 45.4 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | -123.2 | 89.9 | 101.8 | 34.8 | -30.4 | 0 | 0 | 0 | 111.5 | | |
| 212 | N | 41.2 | Very low | 46.5 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -78.5 | 118.7 | 162 | -82.8 | -57.3 | 0 | 0 | 0 | 108.6 | V210 G214 | V210-N212 HydrophobicContact CG1-CB 4.27Å; V210-N212 VanDerWaalsContact CG1-N 3.33Å; N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.35Å |
| 213 | T | 43.8 | Very low | 47.7 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 95% | 0.945 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -73 | 81.6 | 179.2 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 214 | G | 47.4 | Very low | 48.9 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 77% | 0.772 | S | S | * | * | | | trans | -159.1 | 106.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | N212 S216 | N212-G214 VanDerWaalsContact C-N 3.31Å; N212-G214 PolarHBondContact O-N 3.35Å; G214-S216 PolarHBondContact O-N 3.25Å; G214-S216 VanDerWaalsContact O-N 3.15Å |
| 215 | G | 54.9 | Low | 50.2 | Low | 88 Ų | 88 | 127.4 Ų | 127.4 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | | | trans | -71.8 | 105.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 216 | S | 50.4 | Low | 51.3 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | -144.9 | 135.2 | 155.1 | -76.5 | 0 | 0 | 0 | 0 | 107.9 | G214 | G214-S216 PolarHBondContact O-N 3.25Å; G214-S216 VanDerWaalsContact O-N 3.15Å |
| 217 | L | 65.1 | Low | 51.9 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 143.4 | 175.4 | -71.2 | 167 | 0 | 0 | 0 | 110 | D219 | L217-D219 PolarHBondContact O-N 3.41Š|
| 218 | P | 67.4 | Low | 52.8 | Low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.1 | 169.5 | 28 | -33.2 | 0 | 0 | 0 | 109.1 | L220 | P218-L220 PolarHBondContact O-N 3.06Š|
| 219 | D | 53.6 | Low | 53.9 | Low | 122 Ų | 122 | 125.8 Ų | 125.8 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 119.8 | -179.5 | -179.6 | 14.3 | 0 | 0 | 0 | 110.7 | L217 S221 | L217-D219 PolarHBondContact O-N 3.41Å; D219-S221 PolarHBondContact O-N 3.38Å; D219-S221 WeakPolarHBondContact OD1-CB 3.32Å; D219-S221 PolarHBondContact OD1-N 3.35Å; D219-S221 PolarHBondContact OD1-OG 3.27Å; D219-S221 VanDerWaalsContact OD2-CB 3.29Å; D219-S221 WeakPolarHBondContact OD2-CB 3.29Å; D219-S221 PolarHBondContact OD2-OG 3.49Å |
| 220 | L | 56.3 | Low | 55 | Low | 131 Ų | 131 | 122.5 Ų | 122.5 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -77.6 | 0.2 | -177.9 | -60.7 | 179.8 | 0 | 0 | 0 | 113.1 | P218 S222 L223 | P218-L220 PolarHBondContact O-N 3.06Å; L220-S222 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 3.2Å |
| 221 | S | 57.2 | Low | 55.5 | Low | 89 Ų | 89 | 123.1 Ų | 123.1 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -54.6 | -17.8 | 173.4 | 67.3 | 0 | 0 | 0 | 0 | 114.9 | D219 | D219-S221 PolarHBondContact O-N 3.38Å; D219-S221 WeakPolarHBondContact OD1-CB 3.32Å; D219-S221 PolarHBondContact OD1-N 3.35Å; D219-S221 PolarHBondContact OD1-OG 3.27Å; D219-S221 VanDerWaalsContact OD2-CB 3.29Å; D219-S221 WeakPolarHBondContact OD2-CB 3.29Å; D219-S221 PolarHBondContact OD2-OG 3.49Å |
| 222 | S | 55 | Low | 55.5 | Low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -89.6 | 4.6 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 115.2 | L220 H224 | L220-S222 PolarHBondContact O-N 3.39Å; S222-H224 PolarHBondContact O-N 3.46Å; S222-H224 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 58 | Low | 56.2 | Low | 111 Ų | 111 | 124.1 Ų | 124.1 | 58% | 0.581 | 76% | 0.757 | S | S | * | * | | | trans | -81.2 | 80.3 | 172.6 | -69.3 | 179.1 | 0 | 0 | 0 | 111.6 | L220 F225 | L220-L223 PolarHBondContact O-N 3.2Å; L223-F225 HydrophobicContact CB-CD2 4.48Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CB-CZ 4.33Å; L223-F225 HydrophobicContact CD1-CZ 4.48Å; L223-F225 WeakPolarHBondContact O-CD2 3.37Å; L223-F225 PolarHBondContact O-N 3.41Å; L223-F225 VanDerWaalsContact O-N 3.1Å |
| 224 | H | 69.6 | Low | 57 | Low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | -74.4 | 94.5 | 172.9 | -176.5 | 80.3 | 0 | 0 | 0 | 111.2 | S222 | S222-H224 PolarHBondContact O-N 3.46Å; S222-H224 VanDerWaalsContact O-N 3.08Å |
| 225 | F | 63.1 | Low | 57.2 | Low | 165 Ų | 165 | 130.4 Ų | 130.4 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 121.6 | 168.4 | -63.1 | -82.5 | 0 | 0 | 0 | 109.9 | L223 | L223-F225 HydrophobicContact CB-CD2 4.48Å; L223-F225 HydrophobicContact CB-CE2 3.88Å; L223-F225 HydrophobicContact CB-CZ 4.33Å; L223-F225 HydrophobicContact CD1-CZ 4.48Å; L223-F225 WeakPolarHBondContact O-CD2 3.37Å; L223-F225 PolarHBondContact O-N 3.41Å; L223-F225 VanDerWaalsContact O-N 3.1Å |
| 226 | P | 58.4 | Low | 57.1 | Low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 142.8 | 170.4 | 29.4 | -33.9 | 0 | 0 | 0 | 109.8 | | |
| 227 | S | 46.9 | Very low | 57 | Low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 137.2 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | L229 | S227-L229 PolarHBondContact O-N 3.46Š|
| 228 | P | 56 | Low | 56.1 | Low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 134.8 | 176.5 | 26.2 | -33.9 | 0 | 0 | 0 | 110 | | |
| 229 | L | 60.8 | Low | 55.1 | Low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139.8 | 178.3 | -83.9 | 67.4 | 0 | 0 | 0 | 109.8 | S227 T231 | S227-L229 PolarHBondContact O-N 3.46Å; L229-T231 PolarHBondContact O-N 3.08Å; L229-T231 VanDerWaalsContact O-N 3.14Å |
| 230 | P | 56.7 | Low | 54.2 | Low | 122 Ų | 122 | 137.5 Ų | 137.5 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | | | trans | -66.8 | 114 | 170.8 | 28.1 | -32.7 | 0 | 0 | 0 | 109.2 | | |
| 231 | T | 57.3 | Low | 53.8 | Low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57 | 131.6 | 169 | -42.5 | 0 | 0 | 0 | 0 | 108.9 | L229 L233 | L229-T231 PolarHBondContact O-N 3.08Å; L229-T231 VanDerWaalsContact O-N 3.14Å; T231-L233 PolarHBondContact O-N 2.92Å |
| 232 | P | 46.7 | Very low | 52.8 | Low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.4 | 175 | 25.6 | -33.2 | 0 | 0 | 0 | 109.8 | | |
| 233 | L | 55.4 | Low | 52.3 | Low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131.1 | 167.6 | -86.2 | 144 | 0 | 0 | 0 | 108.9 | T231 | T231-L233 PolarHBondContact O-N 2.92Š|
| 234 | D | 60.6 | Low | 51.6 | Low | 170 Ų | 170 | 138.5 Ų | 138.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.3 | 171.7 | -138.6 | 0.5 | 0 | 0 | 0 | 109.4 | | |
| 235 | Q | 51.8 | Low | 50.1 | Low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -101.1 | 88.7 | -175.5 | -75.6 | -167.6 | -32.2 | 0 | 0 | 111.6 | | |
| 236 | D | 52.2 | Low | 49.1 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -164.9 | 95.4 | 160.2 | -98.2 | -35.7 | 0 | 0 | 0 | 112.1 | | |
| 237 | E | 48 | Very low | 48.2 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -178.7 | 123.1 | 146.5 | -111.8 | -59.1 | 120.9 | 0 | 0 | 111.5 | | |
| 238 | P | 47.1 | Very low | 47.8 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | | | trans | -109.8 | 84.9 | -177.1 | 38.3 | -30.7 | 0 | 0 | 0 | 114.4 | | |
| 239 | G | 45.6 | Very low | 46.9 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 55% | 0.546 | 82% | 0.82 | S | S | . | * | | | trans | -176.4 | 133.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 240 | Y | 35.2 | Very low | 46 | Very low | 234 Ų | 234 | 131 Ų | 131 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | | | trans | 70.8 | 145.7 | 162.2 | -56.8 | -79.5 | 0 | 0 | 0 | 119.2 | | |
| 241 | P | 47.3 | Very low | 45.3 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | -89.9 | 110.2 | -173.5 | 33.9 | -33.5 | 0 | 0 | 0 | 113.3 | | |
| 242 | A | 36.2 | Very low | 44.7 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | -116.8 | 78.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S244 | A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.98Å |
| 243 | S | 46 | Very low | 44.8 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -74.9 | 69.2 | -178.1 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 244 | S | 43.8 | Very low | 44.6 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -166.5 | 91.1 | 163.8 | -83.6 | 0 | 0 | 0 | 0 | 112.7 | A242 | A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 2.98Å |
| 245 | A | 37.8 | Very low | 44.3 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -119.4 | 52.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 246 | L | 41.5 | Very low | 44.5 | Very low | 171 Ų | 171 | 117.4 Ų | 117.4 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | | | trans | -108.1 | 72.4 | 169.8 | -71.4 | 179.9 | 0 | 0 | 0 | 110.3 | | |
| 247 | S | 39.7 | Very low | 44.4 | Very low | 129 Ų | 129 | 112.4 Ų | 112.4 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | -159.2 | 110.1 | 167.2 | -84.7 | 0 | 0 | 0 | 0 | 112 | | |
| 248 | G | 37.7 | Very low | 44.6 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 90% | 0.897 | 73% | 0.725 | S | S | * | * | | | trans | -163.8 | 106.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 249 | G | 36.8 | Very low | 45 | Very low | 71 Ų | 71 | 105 Ų | 105 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 125.9 | 55.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 250 | S | 42.5 | Very low | 45.7 | Very low | 107 Ų | 107 | 106.3 Ų | 106.3 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | 69.2 | 147.3 | 142.3 | -52 | 0 | 0 | 0 | 0 | 122.4 | T252 | S250-T252 PolarHBondContact O-N 3.11Š|
| 251 | S | 42.9 | Very low | 46.3 | Very low | 127 Ų | 127 | 102 Ų | 102 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 77.6 | 8.4 | 151.9 | -52.4 | 0 | 0 | 0 | 0 | 122 | | |
| 252 | T | 45.1 | Very low | 46.4 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | | | trans | -126.9 | 1.2 | 177.4 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | S250 N254 L255 A256 | S250-T252 PolarHBondContact O-N 3.11Å; T252-N254 VanDerWaalsContact C-N 3.32Å; T252-N254 PolarHBondContact O-N 3.12Å; T252-N254 VanDerWaalsContact O-N 3.09Å; T252-L255 PolarHBondContact O-N 3.4Å; T252-A256 PolarHBondContact O-N 3.38Å |
| 253 | G | 48.7 | Very low | 47 | Very low | 54 Ų | 54 | 100.2 Ų | 100.2 | 56% | 0.557 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -54.1 | -36 | -169 | 0 | 0 | 0 | 0 | 0 | 116.6 | L255 A256 S257 | G253-L255 VanDerWaalsContact C-N 3.31Å; G253-L255 PolarHBondContact O-N 3.22Å; G253-A256 PolarHBondContact O-N 2.94Å; G253-S257 PolarHBondContact O-N 3.06Å |
| 254 | N | 51 | Low | 47.2 | Very low | 146 Ų | 146 | 99.7 Ų | 99.7 | 78% | 0.781 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.7 | -29.7 | -179.6 | -66.8 | 10.2 | 0 | 0 | 0 | 112.9 | T252 T258 | T252-N254 VanDerWaalsContact C-N 3.32Å; T252-N254 PolarHBondContact O-N 3.12Å; T252-N254 VanDerWaalsContact O-N 3.09Å; N254-T258 PolarHBondContact O-N 3.37Å; N254-T258 PolarHBondContact O-OG1 3.42Å |
| 255 | L | 54.4 | Low | 47.3 | Very low | 114 Ų | 114 | 99.4 Ų | 99.4 | 60% | 0.597 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.4 | -40.6 | 177.7 | -64.9 | 173.1 | 0 | 0 | 0 | 111.3 | T252 G253 S257 T258 L259 | T252-L255 PolarHBondContact O-N 3.4Å; G253-L255 VanDerWaalsContact C-N 3.31Å; G253-L255 PolarHBondContact O-N 3.22Å; L255-S257 PolarHBondContact O-N 3.45Å; L255-T258 WeakPolarHBondContact CA-OG1 3.33Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-T258 PolarHBondContact O-OG1 3.34Å; L255-T258 VanDerWaalsContact O-OG1 3.12Å; L255-L259 WeakPolarHBondContact O-CB 3.36Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.02Å |
| 256 | A | 56.1 | Low | 47.6 | Very low | 58 Ų | 58 | 101.3 Ų | 101.3 | 48% | 0.479 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.9 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T252 G253 L259 T260 | T252-A256 PolarHBondContact O-N 3.38Å; G253-A256 PolarHBondContact O-N 2.94Å; A256-L259 PolarHBondContact O-N 3.28Å; A256-T260 PolarHBondContact O-N 3.15Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 3.29Å |
| 257 | S | 48.4 | Very low | 47.6 | Very low | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.5 | -39.8 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 112.7 | G253 L255 T260 Q261 | G253-S257 PolarHBondContact O-N 3.06Å; L255-S257 PolarHBondContact O-N 3.45Å; S257-T260 PolarHBondContact O-OG1 3.49Å; S257-Q261 WeakPolarHBondContact O-CG 3.36Å; S257-Q261 PolarHBondContact O-N 3.05Å; S257-Q261 VanDerWaalsContact O-N 3.11Å |
| 258 | T | 52.3 | Low | 47.9 | Very low | 65 Ų | 65 | 96.2 Ų | 96.2 | 40% | 0.399 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.9 | -35.2 | 176.4 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | N254 L255 Q261 M262 | N254-T258 PolarHBondContact O-N 3.37Å; N254-T258 PolarHBondContact O-OG1 3.42Å; L255-T258 WeakPolarHBondContact CA-OG1 3.33Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-T258 PolarHBondContact O-OG1 3.34Å; L255-T258 VanDerWaalsContact O-OG1 3.12Å; T258-Q261 PolarHBondContact O-N 3.22Å; T258-M262 WeakPolarHBondContact O-CG 3.43Å; T258-M262 PolarHBondContact O-N 3.27Å |
| 259 | L | 55.9 | Low | 47.8 | Very low | 77 Ų | 77 | 95.7 Ų | 95.7 | 40% | 0.403 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 174.9 | -73.5 | 167.3 | 0 | 0 | 0 | 112.8 | L255 A256 M262 G263 I264 | L255-L259 WeakPolarHBondContact O-CB 3.36Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.37Å; L255-L259 PolarHBondContact O-N 3.02Å; A256-L259 PolarHBondContact O-N 3.28Å; L259-M262 HydrophobicContact CD2-CE 4.18Å; L259-M262 CarbonylContact O-C 3.5Å; L259-M262 PolarHBondContact O-N 3.42Å; L259-G263 PolarHBondContact O-N 3.49Å; L259-G263 VanDerWaalsContact O-N 3.15Å; L259-I264 HydrophobicContact CD2-CD1 4.05Å; L259-I264 PolarHBondContact O-N 3.32Å |
| 260 | T | 60.4 | Low | 48.1 | Very low | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.491 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67.4 | -35.8 | 172.3 | 41.6 | 0 | 0 | 0 | 0 | 112.2 | A256 S257 M262 G263 | A256-T260 PolarHBondContact O-N 3.15Å; A256-T260 VanDerWaalsContact O-N 3.08Å; A256-T260 PolarHBondContact O-OG1 3.29Å; S257-T260 PolarHBondContact O-OG1 3.49Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.89Å; T260-G263 PolarHBondContact O-N 3.26Å |
| 261 | Q | 47.1 | Very low | 47.6 | Very low | 142 Ų | 142 | 98.9 Ų | 98.9 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.4 | -22.9 | 173 | -72.3 | 178.1 | 2.8 | 0 | 0 | 113.8 | S257 T258 G263 | S257-Q261 WeakPolarHBondContact O-CG 3.36Å; S257-Q261 PolarHBondContact O-N 3.05Å; S257-Q261 VanDerWaalsContact O-N 3.11Å; T258-Q261 PolarHBondContact O-N 3.22Å; Q261-G263 VanDerWaalsContact C-N 3.34Å |
| 262 | M | 50 | Low | 47.5 | Very low | 129 Ų | 129 | 97.7 Ų | 97.7 | 64% | 0.635 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 4.9 | 167.9 | -65.3 | -167.9 | -61.6 | 0 | 0 | 113.6 | T258 L259 T260 I264 | T258-M262 WeakPolarHBondContact O-CG 3.43Å; T258-M262 PolarHBondContact O-N 3.27Å; L259-M262 HydrophobicContact CD2-CE 4.18Å; L259-M262 CarbonylContact O-C 3.5Å; L259-M262 PolarHBondContact O-N 3.42Å; T260-M262 VanDerWaalsContact C-N 3.3Å; T260-M262 PolarHBondContact O-N 2.89Å; M262-I264 PolarHBondContact O-N 3.43Å |
| 263 | G | 49.2 | Very low | 47 | Very low | 51 Ų | 51 | 103.7 Ų | 103.7 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 77.4 | 13.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L259 T260 Q261 N265 | L259-G263 PolarHBondContact O-N 3.49Å; L259-G263 VanDerWaalsContact O-N 3.15Å; T260-G263 PolarHBondContact O-N 3.26Å; Q261-G263 VanDerWaalsContact C-N 3.34Å; G263-N265 VanDerWaalsContact C-N 3.34Å; G263-N265 PolarHBondContact O-N 2.69Å; G263-N265 VanDerWaalsContact O-N 3.08Å |
| 264 | I | 50.1 | Low | 46.6 | Very low | 109 Ų | 109 | 109.9 Ų | 109.9 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | | | trans | -87.4 | 74.3 | -177.9 | -52.4 | 179.4 | 0 | 0 | 0 | 109.7 | L259 M262 | L259-I264 HydrophobicContact CD2-CD1 4.05Å; L259-I264 PolarHBondContact O-N 3.32Å; M262-I264 PolarHBondContact O-N 3.43Å |
| 265 | N | 46 | Very low | 45.6 | Very low | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | | | trans | -93.1 | 122.8 | 173.8 | -72.4 | 24.7 | 0 | 0 | 0 | 110.3 | G263 A267 | G263-N265 VanDerWaalsContact C-N 3.34Å; G263-N265 PolarHBondContact O-N 2.69Å; G263-N265 VanDerWaalsContact O-N 3.08Å; N265-A267 PolarHBondContact O-N 3.21Å |
| 266 | T | 43.8 | Very low | 45 | Very low | 141 Ų | 141 | 112.3 Ų | 112.3 | 87% | 0.865 | 68% | 0.684 | S | S | * | * | | | trans | -74.8 | 91.4 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 111.4 | G268 | T266-G268 PolarHBondContact O-N 3.45Å; T266-G268 VanDerWaalsContact O-N 3.12Å |
| 267 | A | 42 | Very low | 44.1 | Very low | 109 Ų | 109 | 113.4 Ų | 113.4 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | | | trans | -72.2 | 100.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N265 | N265-A267 PolarHBondContact O-N 3.21Š|
| 268 | G | 44.4 | Very low | 43.8 | Very low | 83 Ų | 83 | 115.8 Ų | 115.8 | 86% | 0.856 | 71% | 0.707 | S | S | * | * | | | trans | -140.6 | 79.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T266 | T266-G268 PolarHBondContact O-N 3.45Å; T266-G268 VanDerWaalsContact O-N 3.12Å |
| 269 | G | 37.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | -166.6 | 119.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 270 | N | 41.8 | Very low | 42.7 | Very low | 173 Ų | 173 | 118.6 Ų | 118.6 | 93% | 0.925 | 73% | 0.731 | S | S | * | * | | | trans | -83.3 | 129.8 | -177.7 | -173.2 | 15.1 | 0 | 0 | 0 | 110.6 | | |
| 271 | G | 32.7 | Very low | 41.7 | Very low | 72 Ų | 72 | 120.1 Ų | 120.1 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | trans | -172.3 | 82.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y273 | G271-Y273 PolarHBondContact O-N 2.84Š|
| 272 | S | 41 | Very low | 41.5 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -79.1 | 111.4 | 177.9 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 273 | Y | 34.3 | Very low | 41 | Very low | 223 Ų | 223 | 117 Ų | 117 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | | | trans | -151.3 | 156.6 | 144.8 | -80.3 | -58.5 | 0 | 0 | 0 | 110.6 | G271 Q275 | G271-Y273 PolarHBondContact O-N 2.84Å; Y273-Q275 PolarHBondContact O-N 2.94Å |
| 274 | H | 40.5 | Very low | 40.7 | Very low | 184 Ų | 184 | 118.3 Ų | 118.3 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | | | trans | -65.3 | 123.7 | -164.3 | -54.5 | -99.4 | 0 | 0 | 0 | 114.9 | | |
| 275 | Q | 30.6 | Very low | 41 | Very low | 190 Ų | 190 | 117.4 Ų | 117.4 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | | | trans | -159.5 | 161.3 | 149.5 | -107.5 | -179.9 | 18.4 | 0 | 0 | 110.4 | Y273 | Y273-Q275 PolarHBondContact O-N 2.94Š|
| 276 | P | 40.3 | Very low | 41.1 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | | | trans | -76 | 164 | -173.9 | 31.6 | -34.8 | 0 | 0 | 0 | 113.6 | | |
| 277 | A | 37.6 | Very low | 41.6 | Very low | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | | | trans | -61.7 | 145.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | V279 | A277-V279 PolarHBondContact O-N 3.22Š|
| 278 | P | 42.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 113.9 Ų | 113.9 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | | | trans | -77 | 84.5 | -180 | 32.7 | -36.2 | 0 | 0 | 0 | 112 | S280 | P278-S280 PolarHBondContact O-N 2.98Š|
| 279 | V | 44 | Very low | 42.7 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 72% | 0.715 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -73.2 | 3.3 | 170.4 | -65.8 | 0 | 0 | 0 | 0 | 113.7 | A277 T281 | A277-V279 PolarHBondContact O-N 3.22Å; V279-T281 PolarHBondContact O-N 2.92Å |
| 280 | S | 40.9 | Very low | 43.4 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.5 | -18.1 | -163.9 | -35.9 | 0 | 0 | 0 | 0 | 115.8 | P278 L282 S283 | P278-S280 PolarHBondContact O-N 2.98Å; S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.15Å; S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.05Å |
| 281 | T | 39.9 | Very low | 44.1 | Very low | 111 Ų | 111 | 107.8 Ų | 107.8 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -73.7 | -19.5 | -177.5 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | V279 S283 | V279-T281 PolarHBondContact O-N 2.92Å; T281-S283 VanDerWaalsContact C-N 3.31Å |
| 282 | L | 42.2 | Very low | 45.2 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -81.8 | -5.1 | 173.2 | -74.3 | 172.6 | 0 | 0 | 0 | 113.4 | S280 N284 Q288 | S280-L282 VanDerWaalsContact C-N 3.28Å; S280-L282 PolarHBondContact O-N 3.15Å; L282-N284 PolarHBondContact O-N 3.25Å; L282-Q288 VanDerWaalsContact O-CG 3.28Å; L282-Q288 WeakPolarHBondContact O-CG 3.28Å; L282-Q288 PolarHBondContact O-NE2 3.39Å |
| 283 | S | 39.2 | Very low | 46.1 | Very low | 94 Ų | 94 | 106.3 Ų | 106.3 | 66% | 0.657 | 60% | 0.604 | S | S | * | * | | | trans | -80.2 | 10.9 | -176.7 | -54.1 | 0 | 0 | 0 | 0 | 114.7 | S280 T281 P285 | S280-S283 WeakPolarHBondContact O-CB 3.32Å; S280-S283 PolarHBondContact O-N 3.13Å; S280-S283 PolarHBondContact O-OG 3.05Å; T281-S283 VanDerWaalsContact C-N 3.31Å; S283-P285 VanDerWaalsContact O-CD 3.3Å; S283-P285 WeakPolarHBondContact O-CD 3.47Å |
| 284 | N | 42.9 | Very low | 47.6 | Very low | 77 Ų | 77 | 100.1 Ų | 100.1 | 41% | 0.412 | 59% | 0.591 | S | S | . | * | | | trans | -87.3 | 105.7 | 180 | -126.6 | -33.7 | 0 | 0 | 0 | 110.2 | L282 N286 L287 Q288 | L282-N284 PolarHBondContact O-N 3.25Å; N284-N286 PolarHBondContact O-N 3.36Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N284-L287 HydrophobicContact CB-CB 4.1Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.19Å; N284-L287 PolarHBondContact O-N 3.02Å; N284-Q288 PolarHBondContact O-N 2.87Å |
| 285 | P | 57.2 | Low | 48.4 | Very low | 90 Ų | 90 | 96.6 Ų | 96.6 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64 | -25.4 | -171.8 | 25.6 | -34.8 | 0 | 0 | 0 | 113.2 | S283 S289 | S283-P285 VanDerWaalsContact O-CD 3.3Å; S283-P285 WeakPolarHBondContact O-CD 3.47Å; P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.34Å; P285-S289 PolarHBondContact O-OG 3.32Å |
| 286 | N | 47.7 | Very low | 50 | Low | 119 Ų | 119 | 90.8 Ų | 90.8 | 64% | 0.636 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -76.7 | -31.5 | 176.5 | -67 | -8.4 | 0 | 0 | 0 | 112.6 | N284 S289 S290 | N284-N286 PolarHBondContact O-N 3.36Å; N284-N286 VanDerWaalsContact O-N 3.14Å; N286-S289 WeakPolarHBondContact CA-OG 3.41Å; N286-S289 PolarHBondContact O-OG 3.12Å; N286-S290 WeakPolarHBondContact O-CB 3.42Å; N286-S290 PolarHBondContact O-N 3.48Å; N286-S290 PolarHBondContact O-OG 3.02Å |
| 287 | L | 54.1 | Low | 51 | Low | 88 Ų | 88 | 89.4 Ų | 89.4 | 46% | 0.461 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.6 | -38.8 | 171.9 | -69.4 | 174.1 | 0 | 0 | 0 | 110.8 | N284 S290 L291 | N284-L287 HydrophobicContact CB-CB 4.1Å; N284-L287 HydrophobicContact CB-CD1 3.97Å; N284-L287 HydrophobicContact CB-CG 4.19Å; N284-L287 PolarHBondContact O-N 3.02Å; L287-S290 PolarHBondContact O-N 3.05Å; L287-L291 WeakPolarHBondContact O-CB 3.46Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.99Å |
| 288 | Q | 55.2 | Low | 51.9 | Low | 84 Ų | 84 | 88.2 Ų | 88.2 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 173 | -73.5 | -67.3 | -7 | 0 | 0 | 111.8 | L282 N284 S290 L291 S292 | L282-Q288 VanDerWaalsContact O-CG 3.28Å; L282-Q288 WeakPolarHBondContact O-CG 3.28Å; L282-Q288 PolarHBondContact O-NE2 3.39Å; N284-Q288 PolarHBondContact O-N 2.87Å; Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.15Å; Q288-L291 CarbonylContact O-C 3.57Å; Q288-L291 PolarHBondContact O-N 3.09Å; Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.44Å; Q288-S292 PolarHBondContact O-N 2.81Å; Q288-S292 PolarHBondContact O-OG 3.38Å |
| 289 | S | 54.9 | Low | 52.4 | Low | 70 Ų | 70 | 86.4 Ų | 86.4 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -27 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | P285 N286 S292 | P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.34Å; P285-S289 PolarHBondContact O-OG 3.32Å; N286-S289 WeakPolarHBondContact CA-OG 3.41Å; N286-S289 PolarHBondContact O-OG 3.12Å; S289-S292 WeakPolarHBondContact CA-OG 3.26Å; S289-S292 PolarHBondContact O-OG 3.3Å |
| 290 | S | 51.3 | Low | 53.1 | Low | 61 Ų | 61 | 85.2 Ų | 85.2 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.5 | -46 | 170.2 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | N286 L287 Q288 N293 | N286-S290 WeakPolarHBondContact O-CB 3.42Å; N286-S290 PolarHBondContact O-N 3.48Å; N286-S290 PolarHBondContact O-OG 3.02Å; L287-S290 PolarHBondContact O-N 3.05Å; Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.15Å; S290-N293 WeakPolarHBondContact O-CB 3.44Å; S290-N293 PolarHBondContact O-N 3.47Å |
| 291 | L | 56.6 | Low | 53.8 | Low | 74 Ų | 74 | 85.3 Ų | 85.3 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -76.8 | -20.8 | -179.7 | -69.1 | 173.1 | 0 | 0 | 0 | 113.4 | L287 Q288 Q297 | L287-L291 WeakPolarHBondContact O-CB 3.46Å; L287-L291 WeakPolarHBondContact O-CG 3.4Å; L287-L291 PolarHBondContact O-N 2.99Å; Q288-L291 CarbonylContact O-C 3.57Å; Q288-L291 PolarHBondContact O-N 3.09Å; L291-Q297 WeakPolarHBondContact O-CG 3.28Å; L291-Q297 PolarHBondContact O-NE2 3.12Å |
| 292 | S | 56.9 | Low | 54.1 | Low | 83 Ų | 83 | 82.6 Ų | 82.6 | 58% | 0.58 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 3.3 | 171 | 74.1 | 0 | 0 | 0 | 0 | 113 | Q288 S289 P294 | Q288-S292 VanDerWaalsContact O-CB 3.3Å; Q288-S292 WeakPolarHBondContact O-CB 3.44Å; Q288-S292 PolarHBondContact O-N 2.81Å; Q288-S292 PolarHBondContact O-OG 3.38Å; S289-S292 WeakPolarHBondContact CA-OG 3.26Å; S289-S292 PolarHBondContact O-OG 3.3Å; S292-P294 WeakPolarHBondContact O-CD 3.3Å |
| 293 | N | 58.8 | Low | 54.5 | Low | 60 Ų | 60 | 85.3 Ų | 85.3 | 32% | 0.321 | 50% | 0.498 | S | S | . | . | | | trans | -70.7 | 116.8 | 171.9 | -174.9 | -24.5 | 0 | 0 | 0 | 109.1 | S290 N295 I296 Q297 | S290-N293 WeakPolarHBondContact O-CB 3.44Å; S290-N293 PolarHBondContact O-N 3.47Å; N293-N295 PolarHBondContact O-N 2.84Å; N293-N295 VanDerWaalsContact O-N 3.08Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.21Å; N293-N295 VanDerWaalsContact OD1-N 3.11Å; N293-N295 PolarHBondContact OD1-ND2 3.28Å; N293-I296 HydrophobicContact CB-CB 4.36Å; N293-I296 HydrophobicContact CB-CD1 4.23Å; N293-I296 HydrophobicContact CB-CG1 4.16Å; N293-I296 PolarHBondContact O-N 3.29Å; N293-Q297 PolarHBondContact O-N 2.94Å; N293-Q297 VanDerWaalsContact O-N 3.09Å |
| 294 | P | 67.1 | Low | 55.2 | Low | 93 Ų | 93 | 85 Ų | 85 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -21.9 | -174.3 | 25.6 | -34.9 | 0 | 0 | 0 | 113 | S292 S298 | S292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-S298 VanDerWaalsContact O-CB 3.25Å; P294-S298 WeakPolarHBondContact O-CB 3.36Å; P294-S298 PolarHBondContact O-N 3.46Å; P294-S298 PolarHBondContact O-OG 2.94Å; P294-S298 VanDerWaalsContact O-OG 3.1Å |
| 295 | N | 56.4 | Low | 55.8 | Low | 109 Ų | 109 | 86.1 Ų | 86.1 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76.3 | -28.2 | 175.7 | -58.4 | -66.3 | 0 | 0 | 0 | 112.9 | N293 S298 S299 | N293-N295 PolarHBondContact O-N 2.84Å; N293-N295 VanDerWaalsContact O-N 3.08Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.21Å; N293-N295 VanDerWaalsContact OD1-N 3.11Å; N293-N295 PolarHBondContact OD1-ND2 3.28Å; N295-S298 WeakPolarHBondContact CA-OG 3.43Å; N295-S298 PolarHBondContact O-OG 3.21Å; N295-S299 WeakPolarHBondContact O-CB 3.45Å; N295-S299 PolarHBondContact O-N 3.31Å; N295-S299 VanDerWaalsContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.43Å |
| 296 | I | 65.1 | Low | 55.9 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 35% | 0.354 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.5 | -40.9 | 175.6 | -61.6 | -176.4 | 0 | 0 | 0 | 108.9 | N293 S299 L300 | N293-I296 HydrophobicContact CB-CB 4.36Å; N293-I296 HydrophobicContact CB-CD1 4.23Å; N293-I296 HydrophobicContact CB-CG1 4.16Å; N293-I296 PolarHBondContact O-N 3.29Å; I296-S299 PolarHBondContact O-N 2.71Å; I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.09Å |
| 297 | Q | 60.1 | Low | 56.1 | Low | 92 Ų | 92 | 84.6 Ų | 84.6 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 171.3 | -71.2 | -64.9 | -18.2 | 0 | 0 | 112.6 | L291 N293 S299 L300 S301 | L291-Q297 WeakPolarHBondContact O-CG 3.28Å; L291-Q297 PolarHBondContact O-NE2 3.12Å; N293-Q297 PolarHBondContact O-N 2.94Å; N293-Q297 VanDerWaalsContact O-N 3.09Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.31Å; Q297-L300 PolarHBondContact O-N 2.91Å; Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.11Å; Q297-S301 PolarHBondContact O-OG 3.05Å |
| 298 | S | 56.4 | Low | 56.1 | Low | 55 Ų | 55 | 83.8 Ų | 83.8 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -32.3 | 175.2 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | P294 N295 S301 S302 | P294-S298 VanDerWaalsContact O-CB 3.25Å; P294-S298 WeakPolarHBondContact O-CB 3.36Å; P294-S298 PolarHBondContact O-N 3.46Å; P294-S298 PolarHBondContact O-OG 2.94Å; P294-S298 VanDerWaalsContact O-OG 3.1Å; N295-S298 WeakPolarHBondContact CA-OG 3.43Å; N295-S298 PolarHBondContact O-OG 3.21Å; S298-S301 WeakPolarHBondContact CA-OG 3.17Å; S298-S302 VanDerWaalsContact O-CB 3.26Å; S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 2.92Å; S298-S302 PolarHBondContact O-OG 2.85Å |
| 299 | S | 53.4 | Low | 56.1 | Low | 72 Ų | 72 | 84.5 Ų | 84.5 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | 174.6 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | N295 I296 Q297 | N295-S299 WeakPolarHBondContact O-CB 3.45Å; N295-S299 PolarHBondContact O-N 3.31Å; N295-S299 VanDerWaalsContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.43Å; I296-S299 PolarHBondContact O-N 2.71Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.31Å |
| 300 | L | 58.5 | Low | 56 | Low | 93 Ų | 93 | 84.7 Ų | 84.7 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -78 | -34.2 | 179.4 | -69.3 | 171 | 0 | 0 | 0 | 113 | I296 Q297 F305 | I296-L300 HydrophobicContact CG2-CD1 4.03Å; I296-L300 WeakPolarHBondContact O-CB 3.43Å; I296-L300 WeakPolarHBondContact O-CG 3.39Å; I296-L300 PolarHBondContact O-N 3.09Å; Q297-L300 PolarHBondContact O-N 2.91Å; L300-F305 HydrophobicContact CD2-CE1 4.31Å |
| 301 | S | 56.6 | Low | 55.8 | Low | 85 Ų | 85 | 83.7 Ų | 83.7 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -85.4 | -7.9 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.9 | Q297 S298 H303 | Q297-S301 WeakPolarHBondContact O-CB 3.44Å; Q297-S301 PolarHBondContact O-N 3.11Å; Q297-S301 PolarHBondContact O-OG 3.05Å; S298-S301 WeakPolarHBondContact CA-OG 3.17Å; S301-H303 PolarHBondContact O-N 3.05Å; S301-H303 VanDerWaalsContact O-N 3.17Å |
| 302 | S | 46.3 | Very low | 55.7 | Low | 54 Ų | 54 | 84 Ų | 84 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | | | trans | -60.8 | 119 | 173 | -82 | 0 | 0 | 0 | 0 | 110.4 | S298 S304 F305 | S298-S302 VanDerWaalsContact O-CB 3.26Å; S298-S302 WeakPolarHBondContact O-CB 3.34Å; S298-S302 PolarHBondContact O-N 2.92Å; S298-S302 PolarHBondContact O-OG 2.85Å; S302-S304 PolarHBondContact O-N 2.93Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 3.14Å |
| 303 | H | 49.6 | Very low | 55.7 | Low | 170 Ų | 170 | 84.1 Ų | 84.1 | 79% | 0.787 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -51.1 | -30 | 175.7 | -65.5 | -74.8 | 0 | 0 | 0 | 112.7 | S301 F305 S306 N307 | S301-H303 PolarHBondContact O-N 3.05Å; S301-H303 VanDerWaalsContact O-N 3.17Å; H303-F305 VanDerWaalsContact C-N 3.32Å; H303-F305 PolarHBondContact O-N 2.71Å; H303-S306 PolarHBondContact O-N 2.92Å; H303-N307 VanDerWaalsContact O-CB 3.3Å; H303-N307 WeakPolarHBondContact O-CB 3.36Å; H303-N307 PolarHBondContact O-N 3.48Å |
| 304 | S | 53.9 | Low | 55.7 | Low | 88 Ų | 88 | 84.9 Ų | 84.9 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.5 | -37.2 | 173.1 | -49.8 | 0 | 0 | 0 | 0 | 114.1 | S302 N307 S308 | S302-S304 PolarHBondContact O-N 2.93Å; S304-N307 PolarHBondContact O-N 3.32Å; S304-S308 WeakPolarHBondContact O-CB 3.38Å; S304-S308 PolarHBondContact O-N 3.16Å; S304-S308 PolarHBondContact O-OG 3.13Å |
| 305 | F | 55.9 | Low | 55.2 | Low | 100 Ų | 100 | 86.4 Ų | 86.4 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.8 | -46.3 | 178.1 | -179 | -108.9 | 0 | 0 | 0 | 111.2 | L300 S302 H303 N307 S308 L309 | L300-F305 HydrophobicContact CD2-CE1 4.31Å; S302-F305 WeakPolarHBondContact O-CB 3.48Å; S302-F305 PolarHBondContact O-N 3.14Å; H303-F305 VanDerWaalsContact C-N 3.32Å; H303-F305 PolarHBondContact O-N 2.71Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.08Å; F305-S308 PolarHBondContact O-N 2.88Å; F305-L309 HydrophobicContact CD1-CD1 4.14Å; F305-L309 HydrophobicContact CE1-CD1 3.64Å; F305-L309 HydrophobicContact CZ-CD1 3.85Å; F305-L309 HydrophobicContact CZ-CG 4.47Å; F305-L309 WeakPolarHBondContact O-CG 3.26Å; F305-L309 PolarHBondContact O-N 2.97Å |
| 306 | S | 58.3 | Low | 55.1 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 173 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | H303 L309 S310 | H303-S306 PolarHBondContact O-N 2.92Å; S306-L309 PolarHBondContact O-N 3.32Å; S306-S310 VanDerWaalsContact O-CB 3.25Å; S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.85Å |
| 307 | N | 53.1 | Low | 54.5 | Low | 112 Ų | 112 | 84.4 Ų | 84.4 | 60% | 0.599 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.9 | -31.2 | 178.5 | -155.4 | 26.4 | 0 | 0 | 0 | 112.8 | H303 S304 F305 S310 S311 | H303-N307 VanDerWaalsContact O-CB 3.3Å; H303-N307 WeakPolarHBondContact O-CB 3.36Å; H303-N307 PolarHBondContact O-N 3.48Å; S304-N307 PolarHBondContact O-N 3.32Å; F305-N307 VanDerWaalsContact C-N 3.3Å; F305-N307 PolarHBondContact O-N 3.08Å; N307-S310 CarbonylContact O-C 3.54Å; N307-S311 WeakPolarHBondContact O-CA 3.35Å; N307-S311 PolarHBondContact O-N 2.86Å; N307-S311 PolarHBondContact O-OG 3.4Å |
| 308 | S | 52.8 | Low | 54.4 | Low | 72 Ų | 72 | 84.8 Ų | 84.8 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 169 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | S304 F305 S311 L314 | S304-S308 WeakPolarHBondContact O-CB 3.38Å; S304-S308 PolarHBondContact O-N 3.16Å; S304-S308 PolarHBondContact O-OG 3.13Å; F305-S308 PolarHBondContact O-N 2.88Å; S308-S311 VanDerWaalsContact O-CB 3.3Å; S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.19Å; S308-S311 PolarHBondContact O-OG 3.43Å; S308-L314 WeakPolarHBondContact O-CD1 3.2Å |
| 309 | L | 56.1 | Low | 54.3 | Low | 99 Ų | 99 | 85.4 Ų | 85.4 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | 175.1 | -68.9 | 175.9 | 0 | 0 | 0 | 112.3 | F305 S306 S311 | F305-L309 HydrophobicContact CD1-CD1 4.14Å; F305-L309 HydrophobicContact CE1-CD1 3.64Å; F305-L309 HydrophobicContact CZ-CD1 3.85Å; F305-L309 HydrophobicContact CZ-CG 4.47Å; F305-L309 WeakPolarHBondContact O-CG 3.26Å; F305-L309 PolarHBondContact O-N 2.97Å; S306-L309 PolarHBondContact O-N 3.32Å; L309-S311 PolarHBondContact O-N 3.18Å |
| 310 | S | 52.1 | Low | 54.2 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.7 | 177.3 | -50.5 | 0 | 0 | 0 | 0 | 113.5 | S306 N307 A312 | S306-S310 VanDerWaalsContact O-CB 3.25Å; S306-S310 WeakPolarHBondContact O-CB 3.5Å; S306-S310 PolarHBondContact O-N 3.13Å; S306-S310 PolarHBondContact O-OG 2.85Å; N307-S310 CarbonylContact O-C 3.54Å; S310-A312 PolarHBondContact O-N 3.4Å |
| 311 | S | 46.9 | Very low | 54.2 | Low | 41 Ų | 41 | 85.3 Ų | 85.3 | 29% | 0.287 | 52% | 0.516 | S | S | . | . | | | trans | -66.5 | 131.2 | -177.1 | -79.3 | 0 | 0 | 0 | 0 | 110.9 | N307 S308 L309 S313 L314 H315 | N307-S311 WeakPolarHBondContact O-CA 3.35Å; N307-S311 PolarHBondContact O-N 2.86Å; N307-S311 PolarHBondContact O-OG 3.4Å; S308-S311 VanDerWaalsContact O-CB 3.3Å; S308-S311 WeakPolarHBondContact O-CB 3.39Å; S308-S311 PolarHBondContact O-N 3.19Å; S308-S311 PolarHBondContact O-OG 3.43Å; L309-S311 PolarHBondContact O-N 3.18Å; S311-S313 PolarHBondContact O-N 2.74Å; S311-L314 PolarHBondContact O-N 3.3Å; S311-H315 PolarHBondContact O-N 3.45Å |
| 312 | A | 54.2 | Low | 54 | Low | 80 Ų | 80 | 85 Ų | 85 | 66% | 0.661 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -53.9 | -26.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S310 H315 S316 | S310-A312 PolarHBondContact O-N 3.4Å; A312-H315 PolarHBondContact O-N 2.84Å; A312-S316 VanDerWaalsContact O-CB 3.25Å; A312-S316 WeakPolarHBondContact O-CB 3.2Å; A312-S316 PolarHBondContact O-N 3.32Å |
| 313 | S | 58 | Low | 54.4 | Low | 86 Ų | 86 | 86.4 Ų | 86.4 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -39.9 | 172.1 | -43.2 | 0 | 0 | 0 | 0 | 113.6 | S311 S317 | S311-S313 PolarHBondContact O-N 2.74Å; S313-S317 WeakPolarHBondContact O-CB 3.3Å; S313-S317 PolarHBondContact O-N 2.72Å; S313-S317 PolarHBondContact O-OG 3.28Å |
| 314 | L | 57.6 | Low | 54.6 | Low | 76 Ų | 76 | 83.3 Ų | 83.3 | 40% | 0.398 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75 | -40.4 | 176.4 | -67.8 | -173.7 | 0 | 0 | 0 | 111.3 | S308 S311 S316 S317 L318 | S308-L314 WeakPolarHBondContact O-CD1 3.2Å; S311-L314 PolarHBondContact O-N 3.3Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.19Å; L314-S317 PolarHBondContact O-N 3.35Å; L314-L318 WeakPolarHBondContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.43Å |
| 315 | H | 57.5 | Low | 54.6 | Low | 124 Ų | 124 | 82.6 Ų | 82.6 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 172.3 | -79.4 | -118.9 | 0 | 0 | 0 | 111.4 | S311 A312 L318 S319 | S311-H315 PolarHBondContact O-N 3.45Å; A312-H315 PolarHBondContact O-N 2.84Å; H315-L318 PolarHBondContact O-N 3.35Å; H315-S319 VanDerWaalsContact O-CB 3.26Å; H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 2.79Å |
| 316 | S | 54.3 | Low | 54.2 | Low | 75 Ų | 75 | 81.2 Ų | 81.2 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 173.7 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | A312 L314 L318 S319 N320 | A312-S316 VanDerWaalsContact O-CB 3.25Å; A312-S316 WeakPolarHBondContact O-CB 3.2Å; A312-S316 PolarHBondContact O-N 3.32Å; L314-S316 VanDerWaalsContact C-N 3.3Å; L314-S316 PolarHBondContact O-N 3.19Å; S316-L318 PolarHBondContact O-N 3.26Å; S316-S319 WeakPolarHBondContact CA-OG 3.25Å; S316-S319 CarbonylContact O-C 3.6Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.13Å; S316-S319 PolarHBondContact O-OG 3.29Å; S316-N320 PolarHBondContact O-N 3.17Å |
| 317 | S | 52.9 | Low | 53.8 | Low | 61 Ų | 61 | 80.9 Ų | 80.9 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -41.5 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | S313 L314 S319 N320 L323 | S313-S317 WeakPolarHBondContact O-CB 3.3Å; S313-S317 PolarHBondContact O-N 2.72Å; S313-S317 PolarHBondContact O-OG 3.28Å; L314-S317 PolarHBondContact O-N 3.35Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S317-N320 WeakPolarHBondContact O-CB 3.2Å; S317-N320 PolarHBondContact O-N 2.75Å; S317-L323 WeakPolarHBondContact O-CD1 3.49Å |
| 318 | L | 57.6 | Low | 53.8 | Low | 100 Ų | 100 | 80.2 Ų | 80.2 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.2 | -19.8 | 177.2 | -66.2 | 171.7 | 0 | 0 | 0 | 113.2 | L314 H315 S316 N320 Q324 | L314-L318 WeakPolarHBondContact O-CB 3.25Å; L314-L318 WeakPolarHBondContact O-CG 3.47Å; L314-L318 PolarHBondContact O-N 3.43Å; H315-L318 PolarHBondContact O-N 3.35Å; S316-L318 PolarHBondContact O-N 3.26Å; L318-N320 VanDerWaalsContact C-N 3.3Å; L318-Q324 WeakPolarHBondContact O-CG 3.49Å; L318-Q324 PolarHBondContact O-NE2 2.87Å |
| 319 | S | 53.5 | Low | 53.3 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.3 | 170.5 | 75.4 | 0 | 0 | 0 | 0 | 113.7 | H315 S316 S317 P321 | H315-S319 VanDerWaalsContact O-CB 3.26Å; H315-S319 WeakPolarHBondContact O-CB 3.46Å; H315-S319 PolarHBondContact O-N 3.44Å; H315-S319 PolarHBondContact O-OG 2.79Å; S316-S319 WeakPolarHBondContact CA-OG 3.25Å; S316-S319 CarbonylContact O-C 3.6Å; S316-S319 PolarHBondContact O-N 3.35Å; S316-S319 VanDerWaalsContact O-N 3.13Å; S316-S319 PolarHBondContact O-OG 3.29Å; S317-S319 VanDerWaalsContact C-N 3.35Å; S319-P321 WeakPolarHBondContact O-CD 3.3Å |
| 320 | N | 51.9 | Low | 52.7 | Low | 71 Ų | 71 | 78.5 Ų | 78.5 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | | | trans | -67.1 | 116.7 | -179.4 | -169.6 | -28 | 0 | 0 | 0 | 109.9 | S316 S317 L318 S322 L323 Q324 | S316-N320 PolarHBondContact O-N 3.17Å; S317-N320 WeakPolarHBondContact O-CB 3.2Å; S317-N320 PolarHBondContact O-N 2.75Å; L318-N320 VanDerWaalsContact C-N 3.3Å; N320-S322 PolarHBondContact O-N 2.95Å; N320-S322 VanDerWaalsContact O-N 3.13Å; N320-S322 PolarHBondContact OD1-N 2.97Å; N320-L323 HydrophobicContact CB-CD1 4.44Å; N320-L323 PolarHBondContact O-N 2.99Å; N320-Q324 PolarHBondContact O-N 2.8Å; N320-Q324 VanDerWaalsContact O-N 3.11Å |
| 321 | P | 58.3 | Low | 52.8 | Low | 91 Ų | 91 | 80.3 Ų | 80.3 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.1 | -29.8 | -170.4 | 23.2 | -34.1 | 0 | 0 | 0 | 112.7 | S319 L323 Q324 S325 | S319-P321 WeakPolarHBondContact O-CD 3.3Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.22Å; P321-Q324 PolarHBondContact O-N 2.76Å; P321-S325 PolarHBondContact O-N 2.84Å; P321-S325 PolarHBondContact O-OG 2.93Å; P321-S325 VanDerWaalsContact O-OG 3.05Å |
| 322 | S | 52.4 | Low | 52.6 | Low | 79 Ų | 79 | 82.1 Ų | 82.1 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -38.7 | 175.3 | -50.4 | 0 | 0 | 0 | 0 | 112.6 | N320 S326 | N320-S322 PolarHBondContact O-N 2.95Å; N320-S322 VanDerWaalsContact O-N 3.13Å; N320-S322 PolarHBondContact OD1-N 2.97Å; S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 2.97Å |
| 323 | L | 54.4 | Low | 52.2 | Low | 84 Ų | 84 | 82.2 Ų | 82.2 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.6 | -34.2 | 176.6 | -72.8 | 173.3 | 0 | 0 | 0 | 111.6 | S317 N320 P321 S325 S326 L327 | S317-L323 WeakPolarHBondContact O-CD1 3.49Å; N320-L323 HydrophobicContact CB-CD1 4.44Å; N320-L323 PolarHBondContact O-N 2.99Å; P321-L323 VanDerWaalsContact C-N 3.34Å; P321-L323 PolarHBondContact O-N 3.22Å; L323-S325 VanDerWaalsContact C-N 3.33Å; L323-S326 PolarHBondContact O-N 3.09Å; L323-L327 WeakPolarHBondContact O-CB 3.39Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.08Å |
| 324 | Q | 55.7 | Low | 51.8 | Low | 105 Ų | 105 | 81.4 Ų | 81.4 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 171.9 | -63.9 | -168.7 | -3.4 | 0 | 0 | 112.1 | L318 N320 P321 L327 S328 | L318-Q324 WeakPolarHBondContact O-CG 3.49Å; L318-Q324 PolarHBondContact O-NE2 2.87Å; N320-Q324 PolarHBondContact O-N 2.8Å; N320-Q324 VanDerWaalsContact O-N 3.11Å; P321-Q324 PolarHBondContact O-N 2.76Å; Q324-L327 PolarHBondContact O-N 3.11Å; Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 3.23Å; Q324-S328 PolarHBondContact O-OG 2.71Å |
| 325 | S | 53.3 | Low | 51.1 | Low | 73 Ų | 73 | 81.1 Ų | 81.1 | 51% | 0.51 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.2 | -53.5 | 170 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | P321 L323 L327 S328 S329 | P321-S325 PolarHBondContact O-N 2.84Å; P321-S325 PolarHBondContact O-OG 2.93Å; P321-S325 VanDerWaalsContact O-OG 3.05Å; L323-S325 VanDerWaalsContact C-N 3.33Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-S328 VanDerWaalsContact O-N 3.09Å; S325-S328 PolarHBondContact O-OG 3.38Å; S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 VanDerWaalsContact O-N 3.12Å; S325-S329 PolarHBondContact O-OG 3Å |
| 326 | S | 48.1 | Very low | 50.3 | Low | 70 Ų | 70 | 79 Ų | 79 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -34 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | S322 L323 S329 | S322-S326 PolarHBondContact O-N 3.24Å; S322-S326 PolarHBondContact O-OG 2.97Å; L323-S326 PolarHBondContact O-N 3.09Å; S326-S329 WeakPolarHBondContact CA-OG 3.49Å; S326-S329 PolarHBondContact O-OG 3.28Å |
| 327 | L | 50 | Low | 50 | Low | 58 Ų | 58 | 81 Ų | 81 | 30% | 0.304 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.3 | -36.6 | 174.2 | -70.4 | 168.6 | 0 | 0 | 0 | 112.1 | L323 Q324 S325 S329 S330 L333 | L323-L327 WeakPolarHBondContact O-CB 3.39Å; L323-L327 VanDerWaalsContact O-CG 3.28Å; L323-L327 WeakPolarHBondContact O-CG 3.33Å; L323-L327 PolarHBondContact O-N 3.08Å; Q324-L327 PolarHBondContact O-N 3.11Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.39Å; L327-S330 CarbonylContact O-C 3.49Å; L327-S330 PolarHBondContact O-N 2.87Å; L327-L333 HydrophobicContact CD2-CB 3.92Å; L327-L333 HydrophobicContact CD2-CD1 3.84Å |
| 328 | S | 52.4 | Low | 49.6 | Very low | 98 Ų | 98 | 82 Ų | 82 | 69% | 0.685 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -27.6 | 177 | 73 | 0 | 0 | 0 | 0 | 113.2 | Q324 S325 S330 | Q324-S328 WeakPolarHBondContact O-CB 3.4Å; Q324-S328 PolarHBondContact O-N 3.23Å; Q324-S328 PolarHBondContact O-OG 2.71Å; S325-S328 PolarHBondContact O-N 3.43Å; S325-S328 VanDerWaalsContact O-N 3.09Å; S325-S328 PolarHBondContact O-OG 3.38Å; S328-S330 PolarHBondContact O-N 3.41Å |
| 329 | S | 43.2 | Very low | 48.9 | Very low | 88 Ų | 88 | 79.7 Ų | 79.7 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2.5 | 170.7 | 45.9 | 0 | 0 | 0 | 0 | 114.7 | S325 S326 L327 | S325-S329 PolarHBondContact O-N 2.99Å; S325-S329 VanDerWaalsContact O-N 3.12Å; S325-S329 PolarHBondContact O-OG 3Å; S326-S329 WeakPolarHBondContact CA-OG 3.49Å; S326-S329 PolarHBondContact O-OG 3.28Å; L327-S329 VanDerWaalsContact C-N 3.27Å; L327-S329 PolarHBondContact O-N 3.39Å |
| 330 | S | 43.1 | Very low | 48.5 | Very low | 46 Ų | 46 | 84.1 Ų | 84.1 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | | | trans | -137.8 | 87.2 | 178.8 | -74.5 | 0 | 0 | 0 | 0 | 111.4 | L327 S328 S332 L333 | L327-S330 CarbonylContact O-C 3.49Å; L327-S330 PolarHBondContact O-N 2.87Å; S328-S330 PolarHBondContact O-N 3.41Å; S330-S332 PolarHBondContact O-N 3.41Å; S330-L333 PolarHBondContact O-N 3.48Å |
| 331 | P | 53.6 | Low | 48.2 | Very low | 111 Ų | 111 | 84.6 Ų | 84.6 | 72% | 0.721 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -7.7 | -168 | 25.7 | -35.4 | 0 | 0 | 0 | 115.6 | | |
| 332 | S | 42.9 | Very low | 47.3 | Very low | 80 Ų | 80 | 85.6 Ų | 85.6 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -23.3 | 179.1 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | S330 | S330-S332 PolarHBondContact O-N 3.41Š|
| 333 | L | 44.9 | Very low | 46.8 | Very low | 81 Ų | 81 | 88.2 Ų | 88.2 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.1 | -43.1 | -176.1 | -63.5 | 179.9 | 0 | 0 | 0 | 115.3 | L327 S330 S335 S336 L337 | L327-L333 HydrophobicContact CD2-CB 3.92Å; L327-L333 HydrophobicContact CD2-CD1 3.84Å; S330-L333 PolarHBondContact O-N 3.48Å; L333-S335 PolarHBondContact O-N 3.33Å; L333-S336 PolarHBondContact O-N 3.37Å; L333-L337 PolarHBondContact O-N 2.85Å |
| 334 | P | 50.7 | Low | 46 | Very low | 69 Ų | 69 | 87.5 Ų | 87.5 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 176.8 | 24.5 | -33.4 | 0 | 0 | 0 | 111.9 | S336 L337 S338 | P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 2.98Å; P334-L337 PolarHBondContact O-N 2.93Å; P334-S338 WeakPolarHBondContact O-CB 3.26Å; P334-S338 PolarHBondContact O-N 3.45Å; P334-S338 PolarHBondContact O-OG 2.65Å |
| 335 | S | 42.2 | Very low | 45 | Very low | 71 Ų | 71 | 87 Ų | 87 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 176.1 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | L333 L337 S338 S339 | L333-S335 PolarHBondContact O-N 3.33Å; S335-L337 PolarHBondContact O-N 2.86Å; S335-S338 WeakPolarHBondContact CA-OG 3.49Å; S335-S338 PolarHBondContact O-N 2.64Å; S335-S338 PolarHBondContact O-OG 2.86Å; S335-S339 PolarHBondContact O-N 2.86Å |
| 336 | S | 40.7 | Very low | 44.4 | Very low | 78 Ų | 78 | 89.7 Ų | 89.7 | 55% | 0.545 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | L333 P334 S339 | L333-S336 PolarHBondContact O-N 3.37Å; P334-S336 VanDerWaalsContact C-N 3.34Å; P334-S336 PolarHBondContact O-N 2.98Å; S336-S339 WeakPolarHBondContact O-CB 3.49Å; S336-S339 PolarHBondContact O-N 3.1Å; S336-S339 PolarHBondContact O-OG 3.33Å |
| 337 | L | 47.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 91 Ų | 91 | 62% | 0.618 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.4 | -29.5 | 177.3 | -66.7 | 175.9 | 0 | 0 | 0 | 112.7 | L333 P334 S335 S339 | L333-L337 PolarHBondContact O-N 2.85Å; P334-L337 PolarHBondContact O-N 2.93Å; S335-L337 PolarHBondContact O-N 2.86Å; L337-S339 PolarHBondContact O-N 3.36Å |
| 338 | S | 46.4 | Very low | 43.1 | Very low | 83 Ų | 83 | 94.5 Ų | 94.5 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 9.7 | 173.2 | 70.9 | 0 | 0 | 0 | 0 | 114.4 | P334 S335 Q340 | P334-S338 WeakPolarHBondContact O-CB 3.26Å; P334-S338 PolarHBondContact O-N 3.45Å; P334-S338 PolarHBondContact O-OG 2.65Å; S335-S338 WeakPolarHBondContact CA-OG 3.49Å; S335-S338 PolarHBondContact O-N 2.64Å; S335-S338 PolarHBondContact O-OG 2.86Å; S338-Q340 PolarHBondContact O-N 3.16Å |
| 339 | S | 41 | Very low | 42.4 | Very low | 51 Ų | 51 | 94.8 Ų | 94.8 | 36% | 0.357 | 58% | 0.579 | S | S | . | * | | | trans | -58.3 | 112.4 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 111 | S335 S336 L337 S341 L342 | S335-S339 PolarHBondContact O-N 2.86Å; S336-S339 WeakPolarHBondContact O-CB 3.49Å; S336-S339 PolarHBondContact O-N 3.1Å; S336-S339 PolarHBondContact O-OG 3.33Å; L337-S339 PolarHBondContact O-N 3.36Å; S339-S341 PolarHBondContact O-N 3.17Å; S339-L342 PolarHBondContact O-N 3.18Å; S339-L342 VanDerWaalsContact O-N 3.13Å |
| 340 | Q | 45.4 | Very low | 42.3 | Very low | 161 Ų | 161 | 95.4 Ų | 95.4 | 75% | 0.752 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -21.7 | -173.5 | -62.6 | 179.1 | 8.7 | 0 | 0 | 113.5 | S338 L342 H343 S344 | S338-Q340 PolarHBondContact O-N 3.16Å; Q340-L342 PolarHBondContact O-N 3.01Å; Q340-L342 VanDerWaalsContact O-N 3.15Å; Q340-H343 WeakPolarHBondContact O-CA 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.25Å; Q340-H343 PolarHBondContact O-N 2.98Å; Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 2.81Å |
| 341 | S | 45.3 | Very low | 41.9 | Very low | 82 Ų | 82 | 101.1 Ų | 101.1 | 57% | 0.573 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -44.3 | -40.3 | 171 | -41.8 | 0 | 0 | 0 | 0 | 114.2 | S339 S344 S345 | S339-S341 PolarHBondContact O-N 3.17Å; S341-S344 WeakPolarHBondContact O-CB 3.3Å; S341-S344 PolarHBondContact O-N 3.45Å; S341-S345 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 2.93Å |
| 342 | L | 41 | Very low | 41 | Very low | 111 Ų | 111 | 104.5 Ų | 104.5 | 58% | 0.581 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.7 | -34.3 | 179.5 | -66.2 | 177.7 | 0 | 0 | 0 | 112.2 | S339 Q340 L346 | S339-L342 PolarHBondContact O-N 3.18Å; S339-L342 VanDerWaalsContact O-N 3.13Å; Q340-L342 PolarHBondContact O-N 3.01Å; Q340-L342 VanDerWaalsContact O-N 3.15Å; L342-L346 PolarHBondContact O-N 3.26Å |
| 343 | H | 40.6 | Very low | 40.3 | Very low | 134 Ų | 134 | 106.8 Ų | 106.8 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.8 | -36.4 | 172 | -70.8 | -98 | 0 | 0 | 0 | 111.3 | Q340 S345 L346 S347 | Q340-H343 WeakPolarHBondContact O-CA 3.32Å; Q340-H343 WeakPolarHBondContact O-CB 3.25Å; Q340-H343 PolarHBondContact O-N 2.98Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 3.25Å; H343-L346 PolarHBondContact O-N 3.45Å; H343-L346 VanDerWaalsContact O-N 3.12Å; H343-S347 PolarHBondContact O-N 3.03Å; H343-S347 PolarHBondContact O-OG 2.65Å |
| 344 | S | 38.6 | Very low | 39.8 | Very low | 70 Ų | 70 | 106.7 Ų | 106.7 | 49% | 0.49 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -59.3 | -37.7 | 173.8 | -50.1 | 0 | 0 | 0 | 0 | 112.6 | Q340 S341 S347 N348 | Q340-S344 PolarHBondContact O-N 3.41Å; Q340-S344 PolarHBondContact O-OG 2.81Å; S341-S344 WeakPolarHBondContact O-CB 3.3Å; S341-S344 PolarHBondContact O-N 3.45Å; S344-S347 PolarHBondContact O-N 3.15Å; S344-N348 PolarHBondContact O-N 3.1Å |
| 345 | S | 33.7 | Very low | 38.8 | Very low | 94 Ų | 94 | 105.1 Ų | 105.1 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.5 | -36.5 | 174.2 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | S341 H343 | S341-S345 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-OG 2.93Å; H343-S345 VanDerWaalsContact C-N 3.29Å; H343-S345 PolarHBondContact O-N 3.25Å |
| 346 | L | 41.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 113 Ų | 113 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.9 | -32.2 | 174.8 | -67.1 | 170.6 | 0 | 0 | 0 | 112.3 | L342 H343 N348 | L342-L346 PolarHBondContact O-N 3.26Å; H343-L346 PolarHBondContact O-N 3.45Å; H343-L346 VanDerWaalsContact O-N 3.12Å; L346-N348 VanDerWaalsContact C-N 3.34Å; L346-N348 PolarHBondContact O-N 3.29Å |
| 347 | S | 35.6 | Very low | 37.7 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -74.9 | -17.6 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 114.5 | H343 S344 S349 | H343-S347 PolarHBondContact O-N 3.03Å; H343-S347 PolarHBondContact O-OG 2.65Å; S344-S347 PolarHBondContact O-N 3.15Å; S347-S349 PolarHBondContact O-N 3.47Å |
| 348 | N | 35 | Very low | 36.9 | Very low | 130 Ų | 130 | 111.6 Ų | 111.6 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | | | trans | -88 | 39.7 | -169.1 | -134.9 | -14.4 | 0 | 0 | 0 | 114.3 | S344 L346 S350 | S344-N348 PolarHBondContact O-N 3.1Å; L346-N348 VanDerWaalsContact C-N 3.34Å; L346-N348 PolarHBondContact O-N 3.29Å; N348-S350 PolarHBondContact O-N 3.38Å |
| 349 | S | 38.3 | Very low | 36.1 | Very low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | -92.6 | 53.1 | 178.3 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | S347 | S347-S349 PolarHBondContact O-N 3.47Š|
| 350 | S | 40.3 | Very low | 35.5 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -156.1 | 65.5 | -178.6 | -79.2 | 0 | 0 | 0 | 0 | 114.4 | N348 | N348-S350 PolarHBondContact O-N 3.38Š|
| 351 | L | 35.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 87% | 0.869 | 74% | 0.737 | S | S | * | * | | | trans | -123.9 | 83.8 | 160.8 | -76.5 | 179.5 | 0 | 0 | 0 | 111.5 | | |
| 352 | Q | 34 | Very low | 34.3 | Very low | 182 Ų | 182 | 113 Ų | 113 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | trans | 17.2 | 106.9 | 150.5 | -60.2 | 176.3 | 6.5 | 0 | 0 | 118.1 | G354 | Q352-G354 VanDerWaalsContact C-N 3.33Å; Q352-G354 PolarHBondContact O-N 2.95Å; Q352-G354 VanDerWaalsContact O-N 3.08Å |
| 353 | S | 29.1 | Very low | 33.9 | Very low | 128 Ų | 128 | 112.9 Ų | 112.9 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -72.3 | 90.1 | 150.4 | -175.7 | 0 | 0 | 0 | 0 | 109 | G355 | S353-G355 PolarHBondContact O-N 3.41Å; S353-G355 VanDerWaalsContact O-N 3.16Å |
| 354 | G | 34.3 | Very low | 33.4 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -79.9 | 85 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q352 | Q352-G354 VanDerWaalsContact C-N 3.33Å; Q352-G354 PolarHBondContact O-N 2.95Å; Q352-G354 VanDerWaalsContact O-N 3.08Å |
| 355 | G | 29 | Very low | 33 | Very low | 36 Ų | 36 | 113 Ų | 113 | 37% | 0.371 | 80% | 0.797 | S | S | . | * | | | trans | -135.5 | 97.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S353 | S353-G355 PolarHBondContact O-N 3.41Å; S353-G355 VanDerWaalsContact O-N 3.16Å |
| 356 | Y | 31.2 | Very low | 32.7 | Very low | 236 Ų | 236 | 111.6 Ų | 111.6 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | 44.2 | 110.9 | 148.8 | 19.9 | -95.9 | 0 | 0 | 0 | 119.5 | | |
| 357 | G | 30.3 | Very low | 32.2 | Very low | 85 Ų | 85 | 111.9 Ų | 111.9 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | | | trans | -159.2 | 25.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 358 | G | 29.4 | Very low | 31.8 | Very low | 82 Ų | 82 | 112.5 Ų | 112.5 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | 100.8 | 141.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 359 | G | 29.1 | Very low | 32.5 | Very low | 88 Ų | 88 | 110.9 Ų | 110.9 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | | | trans | 97.7 | 116.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 360 | G | 28.8 | Very low | 32 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | 123.5 | 99.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 361 | G | 31.1 | Very low | 31.4 | Very low | 78 Ų | 78 | 116 Ų | 116 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -102.8 | 150.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 362 | V | 34.2 | Very low | 31.1 | Very low | 153 Ų | 153 | 113 Ų | 113 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | | | trans | -142.4 | 155.4 | 159.8 | -81.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 363 | A | 32.8 | Very low | 31 | Very low | 110 Ų | 110 | 112.2 Ų | 112.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -80.7 | 155.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 364 | G | 30.8 | Very low | 31.1 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -176.8 | 98.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 365 | S | 29.8 | Very low | 31 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -69.9 | 132.4 | -172.2 | -54.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 366 | G | 27.5 | Very low | 30.9 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 67% | 0.67 | 83% | 0.832 | S | S | * | * | | | | 74.1 | 124.7 | 108.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 367 | S | 29.6 | Very low | 30.9 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 94% | 0.944 | 83% | 0.834 | S | S | * | * | | | trans | 89.4 | 144.8 | 135.9 | -55.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 368 | S | 28.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | | | trans | -161.1 | 155.1 | 173.8 | 173.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 369 | P | 49.2 | Very low | 30.9 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 63% | 0.63 | 83% | 0.831 | S | S | * | * | | | cis | -124.3 | -157.7 | -13.4 | 28.1 | -5.9 | 0 | 0 | 0 | 112.3 | | |
| 370 | Y | 27.8 | Very low | 31 | Very low | 206 Ų | 206 | 122.7 Ų | 122.7 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | | | trans | 106.4 | 118.9 | 158.8 | -67.2 | -71.4 | 0 | 0 | 0 | 120.8 | | |
| 371 | S | 27.2 | Very low | 31 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | trans | 60 | 111.7 | 133.1 | -57.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 372 | A | 29 | Very low | 31 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | -138.1 | 153.9 | 137.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 373 | M | 32.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -136.6 | 178.2 | -175.8 | -69.3 | -165.2 | -179.6 | 0 | 0 | 112.3 | | |
| 374 | L | 32.3 | Very low | 30.6 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | 75.3 | 138.7 | 171 | -82 | 66 | 0 | 0 | 0 | 115.2 | | |
| 375 | T | 31.8 | Very low | 30.7 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | cis | -148 | 158.8 | -3.6 | 24.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 376 | G | 27.4 | Very low | 31.2 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 162.8 | 78.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 377 | Q | 29.8 | Very low | 31.5 | Very low | 206 Ų | 206 | 135.7 Ų | 135.7 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | | | trans | -15.9 | 135.4 | 172.9 | -62.4 | 173.2 | -23.9 | 0 | 0 | 119.3 | | |
| 378 | G | 30.1 | Very low | 32.1 | Very low | 76 Ų | 76 | 140.9 Ų | 140.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -171.6 | 18.9 | 178 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 379 | Q | 30 | Very low | 32.3 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | 64.2 | 177.2 | 175 | -79.8 | -68 | -24.6 | 0 | 0 | 117.5 | | |
| 380 | V | 31.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 70% | 0.703 | 81% | 0.814 | S | S | * | * | | | trans | -142.7 | 153.6 | -145.4 | -146.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 381 | S | 28.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | | | trans | 93 | 130.6 | 141.2 | -89.3 | 0 | 0 | 0 | 0 | 123.8 | | |
| 382 | L | 31.1 | Very low | 32.1 | Very low | 156 Ų | 156 | 148 Ų | 148 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | | | trans | 73.3 | 99 | 138.3 | -64.7 | 167.9 | 0 | 0 | 0 | 122.4 | | |
| 383 | S | 28 | Very low | 32.3 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | | 63 | 153.3 | 108.5 | -155.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 384 | T | 30.5 | Very low | 33 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | 70.2 | 152.3 | 158.4 | -165.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 385 | S | 33.3 | Very low | 33.4 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | | | trans | -97.3 | 143.7 | -166.1 | 179.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 386 | P | 39.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -78.7 | 145.4 | 175.4 | -12.8 | 29.7 | 0 | 0 | 0 | 114.3 | | |
| 387 | R | 33.5 | Very low | 34.3 | Very low | 249 Ų | 249 | 151.4 Ų | 151.4 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | | | trans | -116.8 | 149.2 | -179.5 | -160 | -179.3 | -168 | -150.4 | 5 | 111.5 | | |
| 388 | R | 42.9 | Very low | 34.7 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | -60 | 151.2 | 179.5 | -50.9 | -173.9 | -166.3 | -177.4 | 4.8 | 113.7 | | |
| 389 | R | 33.4 | Very low | 34.9 | Very low | 246 Ų | 246 | 152.5 Ų | 152.5 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | | | trans | -160.9 | 171.8 | 148.1 | -138.7 | 177.5 | -178 | 173.6 | 1.5 | 113.2 | | |
| 390 | A | 28.2 | Very low | 35.3 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | 88.5 | 140 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 391 | Q | 35 | Very low | 35.6 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | cis | -151.3 | 174.4 | -21.1 | -101.5 | -53.8 | -3.4 | 0 | 0 | 108.9 | | |
| 392 | L | 36.2 | Very low | 35.7 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | | | trans | -101.6 | 168.5 | -175.4 | -72 | 169.4 | 0 | 0 | 0 | 115.5 | | |
| 393 | S | 32.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -68.6 | 172.4 | -172.6 | -38.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 394 | P | 48 | Very low | 36.1 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | | -140.3 | 179.5 | 101.2 | 40.4 | -28.6 | 0 | 0 | 0 | 115.5 | | |
| 395 | L | 39.2 | Very low | 36.3 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -113.5 | 132.3 | -175.3 | -175.3 | 86.5 | 0 | 0 | 0 | 110.7 | | |
| 396 | I | 37.3 | Very low | 36.7 | Very low | 157 Ų | 157 | 159 Ų | 159 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | | | trans | -140.8 | 136.5 | 171.2 | -60.7 | -177.2 | 0 | 0 | 0 | 110.8 | | |
| 397 | L | 41.5 | Very low | 36.8 | Very low | 156 Ų | 156 | 161.3 Ų | 161.3 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 143.6 | 171.1 | -72.5 | 161.6 | 0 | 0 | 0 | 110.7 | | |
| 398 | P | 38.5 | Very low | 37.1 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 143.5 | 155.9 | -4.8 | 24.9 | 0 | 0 | 0 | 111.8 | | |
| 399 | M | 35 | Very low | 36.5 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 164.9 | 172.8 | -170.5 | 56.6 | 72.7 | 0 | 0 | 111.4 | | |
| 400 | A | 36.9 | Very low | 36.9 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 155.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 401 | G | 37.4 | Very low | 37.3 | Very low | 75 Ų | 75 | 153.4 Ų | 153.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -150.4 | 153 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 402 | E | 31.4 | Very low | 37.4 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -79.3 | 161.6 | -157.7 | -141 | 79.3 | -158.1 | 0 | 0 | 117.1 | | |
| 403 | S | 34.5 | Very low | 38.3 | Very low | 95 Ų | 95 | 147.7 Ų | 147.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | 81.4 | 104.4 | 146 | -80.3 | 0 | 0 | 0 | 0 | 123 | | |
| 404 | R | 33.8 | Very low | 38.7 | Very low | 220 Ų | 220 | 148.7 Ų | 148.7 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | | 86 | 90.6 | 129.5 | -65.9 | -147.1 | -71.3 | -118.9 | 3.6 | 122.2 | | |
| 405 | R | 35.1 | Very low | 37.9 | Very low | 225 Ų | 225 | 150.4 Ų | 150.4 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | | | trans | 74.8 | 153.3 | 144.4 | -40.8 | -157.3 | -65.7 | 176.4 | -1.3 | 115.6 | | |
| 406 | I | 41.2 | Very low | 37.6 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | cis | -135 | 158.9 | 13.4 | -38.2 | 166.9 | 0 | 0 | 0 | 110.2 | | |
| 407 | H | 42 | Very low | 38.1 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | | | trans | 70.4 | 103.8 | 170.8 | -64.9 | -75.8 | 0 | 0 | 0 | 119.3 | | |
| 408 | P | 38.3 | Very low | 37.8 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -90.1 | 171.8 | 160.4 | 37 | -32.8 | 0 | 0 | 0 | 112.9 | | |
| 409 | K | 31.9 | Very low | 37.7 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -101.4 | -173 | -179.7 | -73 | 168.4 | 176.2 | 169.8 | 0 | 111.9 | | |
| 410 | Q | 41.9 | Very low | 37.5 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -31.9 | 137.2 | 159 | -56.5 | 154.8 | -85.1 | 0 | 0 | 112.8 | | |
| 411 | F | 34.8 | Very low | 37.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | | | | 174 | 144.4 | 102.9 | -100.8 | -76.1 | 0 | 0 | 0 | 110.8 | | |
| 412 | S | 38.8 | Very low | 37.1 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -63 | 157 | 158.9 | -26.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 413 | P | 55.2 | Low | 37.3 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | | -158.4 | -171.4 | 71.6 | 41.9 | -20 | 0 | 0 | 0 | 117.4 | | |
| 414 | T | 40 | Very low | 37.5 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | 75.7 | 154.1 | 156.9 | 63.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 415 | M | 31.2 | Very low | 37.6 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | 93.9 | 90.8 | 161.3 | -56.2 | -113.5 | 68.9 | 0 | 0 | 119 | | |
| 416 | S | 32.6 | Very low | 37.8 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | 81.4 | 134 | 136.7 | -55.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 417 | P | 47.8 | Very low | 38.1 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -84.7 | 143.3 | 167.6 | 35 | -32.6 | 0 | 0 | 0 | 111.5 | | |
| 418 | T | 35.8 | Very low | 38.1 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -133.7 | 153.1 | 165.1 | 39.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 419 | L | 35.7 | Very low | 38.1 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -91.1 | 173 | -163.3 | -63.6 | 168.9 | 0 | 0 | 0 | 113.5 | | |
| 420 | S | 31.8 | Very low | 38.2 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 94.3 | 154.3 | 154.3 | -37.3 | 0 | 0 | 0 | 0 | 117 | | |
| 421 | S | 30.2 | Very low | 37.7 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | cis | -178.5 | 136 | -28.4 | -91.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 422 | I | 34.3 | Very low | 37.6 | Very low | 156 Ų | 156 | 133 Ų | 133 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 178.1 | 100.6 | 158.3 | -99.2 | 149 | 0 | 0 | 0 | 105.1 | | |
| 423 | S | 36.3 | Very low | 37.5 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | | 69.6 | 133.7 | 79.5 | 79.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 424 | Q | 39 | Very low | 37.4 | Very low | 191 Ų | 191 | 136.6 Ų | 136.6 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | cis | -137.8 | 161.9 | 10.9 | -59.2 | 167.5 | 104.7 | 0 | 0 | 110 | | |
| 425 | G | 35.5 | Very low | 37.2 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | cis | 134.3 | 87 | -5.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 426 | V | 40.3 | Very low | 37.5 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -135.5 | 134.2 | 167.3 | 175.7 | 0 | 0 | 0 | 0 | 109 | | |
| 427 | P | 46.9 | Very low | 37.6 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -105.2 | 164.3 | -167.1 | 39.9 | -36.2 | 0 | 0 | 0 | 115.1 | | |
| 428 | L | 42.6 | Very low | 36.8 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -163.8 | 165.9 | 138.5 | -106 | 166.1 | 0 | 0 | 0 | 110.2 | | |
| 429 | D | 37.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | | | | -140.7 | 149.2 | -127.5 | -170.7 | 23.6 | 0 | 0 | 0 | 117 | | |
| 430 | T | 33.6 | Very low | 38.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | | | trans | 63.5 | 160.2 | 174.5 | 80.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 431 | S | 31.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | | | cis | -156.8 | 145.1 | 10.7 | 91.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 432 | R | 32.5 | Very low | 38.9 | Very low | 236 Ų | 236 | 147.9 Ų | 147.9 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | 78.3 | 146.7 | 150.8 | -55.9 | -163.9 | -172.6 | -110.7 | -2.2 | 123.1 | | |
| 433 | L | 37.2 | Very low | 39.7 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -148.2 | -165 | 176.8 | -69.6 | 176.2 | 0 | 0 | 0 | 106.8 | | |
| 434 | P | 52.7 | Low | 39.4 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | | -130.1 | -176.5 | -70.9 | 40.6 | -25.2 | 0 | 0 | 0 | 113.5 | | |
| 435 | A | 36.5 | Very low | 38.9 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -170.5 | 158.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 436 | D | 36.8 | Very low | 38.9 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | cis | -161 | -179.2 | -33.8 | -159.1 | -8 | 0 | 0 | 0 | 108.8 | | |
| 437 | Q | 34.3 | Very low | 39.7 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -135.5 | 131.8 | -157 | -176.3 | -158.1 | 120.6 | 0 | 0 | 116.8 | | |
| 438 | R | 32.4 | Very low | 39.1 | Very low | 234 Ų | 234 | 146.3 Ų | 146.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -171.8 | 168 | 154.7 | -118.7 | 177.4 | 177.3 | 90.2 | -1.1 | 117.9 | | |
| 439 | L | 35.7 | Very low | 38.8 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -141.3 | -164.4 | 176.8 | -64.7 | 172.3 | 0 | 0 | 0 | 111 | | |
| 440 | P | 66.3 | Low | 38.6 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | | -119.4 | -177.9 | -91.5 | 41.3 | -24.3 | 0 | 0 | 0 | 114.5 | | |
| 441 | P | 43.4 | Very low | 38.4 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | | | | -158.8 | -169.5 | 97.1 | 41.1 | -18.8 | 0 | 0 | 0 | 117.8 | | |
| 442 | Y | 32.2 | Very low | 39.6 | Very low | 217 Ų | 217 | 149.6 Ų | 149.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -115.7 | -158.2 | -176.1 | -51.7 | -80 | 0 | 0 | 0 | 112.6 | | |
| 443 | P | 51.4 | Low | 39.6 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | cis | -147.3 | -171.5 | -4.1 | 43.4 | -21.4 | 0 | 0 | 0 | 119.6 | | |
| 444 | L | 30.1 | Very low | 39.5 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | 92.3 | 127.8 | 137.5 | -165.3 | 69.9 | 0 | 0 | 0 | 125.3 | | |
| 445 | S | 28.7 | Very low | 38.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -179.4 | 168.6 | 132.9 | -80.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 446 | Q | 34.3 | Very low | 38.5 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | trans | -160.3 | -167.7 | -161.7 | -127.2 | -169 | 104.6 | 0 | 0 | 112.3 | | |
| 447 | P | 56.6 | Low | 38.3 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | cis | -144.4 | 173.3 | -13.9 | 42 | -22.4 | 0 | 0 | 0 | 119.6 | | |
| 448 | G | 34.9 | Very low | 38.5 | Very low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | 95.1 | 170.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 449 | Q | 37.3 | Very low | 38.7 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | cis | -175.4 | 158.9 | -19.8 | -104.1 | -100.5 | -48 | 0 | 0 | 113.9 | | |
| 450 | Q | 32.9 | Very low | 38.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 86.7 | 165.2 | 154.6 | -74.2 | 165.7 | 44.5 | 0 | 0 | 124.8 | | |
| 451 | N | 29.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | | | trans | -166.6 | -163.8 | -160.9 | -148.5 | 7.9 | 0 | 0 | 0 | 108.9 | | |
| 452 | P | 56 | Low | 37.1 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | cis | -142.1 | -160.4 | -7.8 | 46 | -25 | 0 | 0 | 0 | 117.2 | | |
| 453 | S | 33.3 | Very low | 37.2 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | trans | 79.2 | 164.9 | 160.5 | 81.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 454 | L | 34.8 | Very low | 36.3 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | | | cis | -166 | 173.5 | -13 | -112.6 | 166.8 | 0 | 0 | 0 | 107 | | |
| 455 | G | 32.9 | Very low | 36.9 | Very low | 59 Ų | 59 | 140.4 Ų | 140.4 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | | | cis | 165.4 | 160.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 456 | Q | 35.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | trans | 68.7 | 160.3 | 168.4 | -72.7 | -156.7 | 16.4 | 0 | 0 | 120.2 | | |
| 457 | N | 33.3 | Very low | 38 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 65% | 0.647 | 74% | 0.742 | S | S | * | * | | | cis | -171.2 | 170.9 | -24.9 | -173.3 | -125.3 | 0 | 0 | 0 | 112.4 | | |
| 458 | Q | 36.7 | Very low | 37.4 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | 80.2 | 136.7 | 167.4 | -53 | -151.3 | 98.1 | 0 | 0 | 118.9 | | |
| 459 | Q | 38.4 | Very low | 37.8 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | | | | 81.5 | 148.7 | 52.4 | -61 | -179.2 | 25.1 | 0 | 0 | 113.8 | | |
| 460 | M | 36.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 143.7 Ų | 143.7 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | | | cis | -165.1 | 155.4 | 15.9 | -152.2 | -164.8 | -76.6 | 0 | 0 | 114.4 | | |
| 461 | L | 40.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | trans | 62.8 | 164.7 | 151.1 | -109.9 | 66.9 | 0 | 0 | 0 | 119.7 | | |
| 462 | R | 34.5 | Very low | 40.4 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | | | cis | -164.7 | 148.5 | -11.4 | -161.6 | -171.4 | 170.1 | -162.5 | -1.5 | 111.5 | | |
| 463 | L | 33.7 | Very low | 40.2 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 65% | 0.649 | 73% | 0.729 | S | S | * | * | | | | 147.7 | 149.4 | 127.9 | -80.6 | 162.4 | 0 | 0 | 0 | 117.8 | | |
| 464 | Q | 34 | Very low | 41.3 | Very low | 169 Ų | 169 | 146 Ų | 146 | 79% | 0.79 | 72% | 0.724 | S | S | * | * | | | trans | 58.8 | 142.1 | 164.8 | -108.8 | 59.3 | 59.1 | 0 | 0 | 122.5 | | |
| 465 | Q | 42.4 | Very low | 42.4 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | | | trans | -111.7 | 174.5 | 173.4 | -61.1 | 177.6 | 7.4 | 0 | 0 | 110 | | |
| 466 | P | 41 | Very low | 43.5 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | | | | -133.3 | 154.1 | 102.6 | 36.3 | -28.2 | 0 | 0 | 0 | 115 | | |
| 467 | R | 44.6 | Very low | 44.4 | Very low | 204 Ų | 204 | 143.1 Ų | 143.1 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | | | trans | -86.4 | 126.4 | 170.8 | -77.3 | 178.4 | 166.2 | -171.2 | -3.8 | 110.8 | | |
| 468 | T | 43.8 | Very low | 45.5 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | | | trans | -132 | -35.8 | 170.4 | 50.5 | 0 | 0 | 0 | 0 | 114 | Q470 | T468-Q470 PolarHBondContact O-N 2.98Š|
| 469 | N | 43.3 | Very low | 46.2 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -5.1 | -171.8 | -90.3 | -57.2 | 0 | 0 | 0 | 117.5 | | |
| 470 | Q | 49.2 | Very low | 46.9 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -26.4 | 179.9 | -79.4 | -80 | -8.8 | 0 | 0 | 113.7 | T468 | T468-Q470 PolarHBondContact O-N 2.98Š|
| 471 | Q | 51.5 | Low | 47.7 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87.7 | -27.8 | -168 | -159.5 | 164.2 | 67.9 | 0 | 0 | 113.7 | | |
| 472 | Q | 53.2 | Low | 48.1 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -71.8 | -32.1 | -177.3 | -171.6 | 165.9 | -21 | 0 | 0 | 113.2 | H474 Q476 | Q472-H474 PolarHBondContact O-N 3Å; Q472-Q476 PolarHBondContact O-N 3.3Å |
| 473 | L | 52.8 | Low | 48.7 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -67.3 | -34 | 178.7 | -117.1 | 171.7 | 0 | 0 | 0 | 112.7 | N477 | L473-N477 PolarHBondContact O-N 2.94Å |
| 474 | H | 56.2 | Low | 49.4 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 64% | 0.639 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -69.2 | -42.3 | -179 | -114.3 | 88.2 | 0 | 0 | 0 | 112.8 | Q472 Q476 N477 L478 | Q472-H474 PolarHBondContact O-N 3Å; H474-Q476 VanDerWaalsContact C-N 3.34Å; H474-Q476 PolarHBondContact O-N 3.38Å; H474-N477 PolarHBondContact O-N 2.94Å; H474-L478 PolarHBondContact O-N 3.06Å |
| 475 | L | 56.9 | Low | 50.2 | Low | 133 Ų | 133 | 138.5 Ų | 138.5 | 70% | 0.696 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.9 | -36.7 | 177 | -108.4 | 67.7 | 0 | 0 | 0 | 112.3 | N477 L478 R479 | L475-N477 VanDerWaalsContact C-N 3.33Å; L475-L478 PolarHBondContact O-N 3.4Å; L475-R479 PolarHBondContact O-N 3.12Å |
| 476 | Q | 56.9 | Low | 50.2 | Low | 124 Ų | 124 | 140.2 Ų | 140.2 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.1 | -33.2 | 177.5 | -163.1 | 116.9 | 103.3 | 0 | 0 | 112.1 | Q472 H474 N480 | Q472-Q476 PolarHBondContact O-N 3.3Å; H474-Q476 VanDerWaalsContact C-N 3.34Å; H474-Q476 PolarHBondContact O-N 3.38Å; Q476-N480 PolarHBondContact O-ND2 3.04Å |
| 477 | N | 53.8 | Low | 50 | Low | 106 Ų | 106 | 137.6 Ų | 137.6 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -66.8 | -47.3 | 174.8 | -166.8 | -90.7 | 0 | 0 | 0 | 111.6 | L473 H474 L475 R479 N480 | L473-N477 PolarHBondContact O-N 2.94Å; H474-N477 PolarHBondContact O-N 2.94Å; L475-N477 VanDerWaalsContact C-N 3.33Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.44Å; N477-N480 PolarHBondContact O-N 3.31Å |
| 478 | L | 56.6 | Low | 50 | Low | 121 Ų | 121 | 134 Ų | 134 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -57.5 | -37.2 | 178.4 | -116.9 | 68.7 | 0 | 0 | 0 | 113.2 | H474 L475 N480 Q481 | H474-L478 PolarHBondContact O-N 3.06Å; L475-L478 PolarHBondContact O-N 3.4Å; L478-N480 PolarHBondContact O-N 2.86Å; L478-Q481 PolarHBondContact O-N 3.24Å |
| 479 | R | 51.7 | Low | 49.5 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.1 | -17.8 | 178.7 | -148.2 | -156.9 | 80.3 | 172.6 | 3.8 | 114.1 | L475 N477 | L475-R479 PolarHBondContact O-N 3.12Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 3.44Å |
| 480 | N | 52.8 | Low | 49.1 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 50% | 0.503 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -88.1 | -22.5 | 178.5 | -76.1 | -79.8 | 0 | 0 | 0 | 112.8 | Q476 N477 L478 | Q476-N480 PolarHBondContact O-ND2 3.04Å; N477-N480 PolarHBondContact O-N 3.31Å; L478-N480 PolarHBondContact O-N 2.86Å |
| 481 | Q | 51.5 | Low | 48.8 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -71.6 | -28.7 | 179.3 | -74.6 | -74.4 | 72.5 | 0 | 0 | 113.7 | L478 L483 | L478-Q481 PolarHBondContact O-N 3.24Å; Q481-L483 PolarHBondContact O-N 2.75Å |
| 482 | H | 50.6 | Low | 48.4 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -79.9 | -12.4 | -176.2 | -162.8 | 69.1 | 0 | 0 | 0 | 114.3 | | |
| 483 | L | 47.3 | Very low | 48 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 68% | 0.681 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -88.3 | 2.7 | -176.4 | -91.4 | 159.9 | 0 | 0 | 0 | 114.7 | Q481 | Q481-L483 PolarHBondContact O-N 2.75Š|
| 484 | Q | 46.6 | Very low | 47.4 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -98.2 | 4.5 | 179.4 | -66.6 | -172.4 | 91.8 | 0 | 0 | 114.4 | | |
| 485 | Q | 50.7 | Low | 46.2 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -107.8 | 5.3 | -171 | -146.9 | 173.8 | 22.1 | 0 | 0 | 116.1 | | |
| 486 | F | 43.7 | Very low | 45 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | | | trans | -130.8 | 103.3 | 174.9 | -77.2 | -82 | 0 | 0 | 0 | 111.8 | | |
| 487 | G | 35.7 | Very low | 43.8 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 147.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 488 | P | 45.5 | Very low | 42.8 | Very low | 128 Ų | 128 | 127.8 Ų | 127.8 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 131.9 | -179.6 | 30.5 | -34.1 | 0 | 0 | 0 | 112.5 | | |
| 489 | F | 33.1 | Very low | 41.5 | Very low | 206 Ų | 206 | 127.2 Ų | 127.2 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -73 | 140 | 168.2 | -95.1 | -101.6 | 0 | 0 | 0 | 111.3 | | |
| 490 | C | 34.8 | Very low | 41.6 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 139.9 | 165.9 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 491 | P | 42.2 | Very low | 40.5 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 143.7 | 173.4 | 33.8 | -33.1 | 0 | 0 | 0 | 112.5 | | |
| 492 | P | 44.8 | Very low | 39.6 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 166.9 | 169.5 | 34.7 | -34.4 | 0 | 0 | 0 | 112.7 | | |
| 493 | P | 43.9 | Very low | 38.5 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | | | trans | -79.2 | 174.9 | -175.6 | 32.9 | -37.1 | 0 | 0 | 0 | 114.8 | | |
| 494 | A | 40.2 | Very low | 37.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 93% | 0.926 | 80% | 0.798 | S | S | * | * | | | trans | -75.7 | 148.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 495 | G | 31 | Very low | 37 | Very low | 81 Ų | 81 | 121.4 Ų | 121.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -161.5 | 148.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 496 | G | 32.4 | Very low | 36.1 | Very low | 68 Ų | 68 | 119.3 Ų | 119.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -110.2 | 179.6 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 497 | S | 31.7 | Very low | 35.5 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 64.4 | 112.5 | 160.8 | 53.4 | 0 | 0 | 0 | 0 | 121 | | |
| 498 | T | 33 | Very low | 35.4 | Very low | 147 Ų | 147 | 121.4 Ų | 121.4 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | 74 | 160.4 | 137.1 | 54.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 499 | S | 28.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -138.9 | -168.1 | -162.2 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 500 | P | 53 | Low | 35.5 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | cis | -129.3 | 162.2 | -47.8 | 32.3 | -16.2 | 0 | 0 | 0 | 113.8 | | |
| 501 | A | 30.2 | Very low | 35.5 | Very low | 102 Ų | 102 | 117.5 Ų | 117.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -172.7 | 159.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 502 | A | 32.2 | Very low | 34.7 | Very low | 99 Ų | 99 | 120 Ų | 120 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | cis | -163.4 | 158.3 | -28.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 503 | S | 28.7 | Very low | 34 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -89.8 | 156 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 113 | | |
| 504 | L | 31 | Very low | 33.9 | Very low | 158 Ų | 158 | 122.1 Ų | 122.1 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | | 164.6 | 116 | 116.8 | -83.9 | 173.6 | 0 | 0 | 0 | 114.1 | | |
| 505 | T | 31.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | | | | 40.9 | 148.3 | 125 | -31.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 506 | S | 30.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 105.7 | 148.4 | 149.9 | -152.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 507 | L | 32.3 | Very low | 33 | Very low | 137 Ų | 137 | 127.6 Ų | 127.6 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | | -174.3 | 128.5 | -52.9 | -105.5 | 168.5 | 0 | 0 | 0 | 109.5 | | |
| 508 | L | 32.4 | Very low | 33.4 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | 61.5 | 172.2 | 157.4 | -69.3 | 171.3 | 0 | 0 | 0 | 118 | | |
| 509 | P | 50.6 | Low | 33.3 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | -118 | -147.1 | 0.8 | 32.1 | -8.3 | 0 | 0 | 0 | 112.1 | | |
| 510 | L | 31 | Very low | 33.3 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | cis | -160.3 | 153.8 | 7.3 | -161.8 | 67.2 | 0 | 0 | 0 | 112.4 | | |
| 511 | L | 33.8 | Very low | 32 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 76% | 0.76 | S | S | * | * | | | trans | 19 | 132.8 | 155.7 | -78.8 | -91.7 | 0 | 0 | 0 | 123.4 | F513 | L511-F513 HydrophobicContact CD1-CD2 3.88Å; L511-F513 HydrophobicContact CD1-CE2 4.01Å |
| 512 | Q | 25.7 | Very low | 32 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | | -161.7 | 152.5 | 101.2 | -164.9 | 61.4 | 13.4 | 0 | 0 | 111.4 | | |
| 513 | F | 31.3 | Very low | 31.8 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | -101.2 | 177.1 | 179.7 | -83.8 | -80.1 | 0 | 0 | 0 | 111.7 | L511 | L511-F513 HydrophobicContact CD1-CD2 3.88Å; L511-F513 HydrophobicContact CD1-CE2 4.01Å |
| 514 | P | 42 | Very low | 32.1 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | cis | -138.3 | -166.8 | 17.9 | 44.2 | -24.6 | 0 | 0 | 0 | 116.8 | | |
| 515 | A | 29.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -126.6 | 171.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 516 | E | 24.9 | Very low | 31.7 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | -175.6 | 179.7 | 158.6 | -101.6 | -74.4 | 37.8 | 0 | 0 | 110.5 | | |
| 517 | S | 29.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -139.4 | -155.4 | -176 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 518 | P | 40.8 | Very low | 32.2 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | cis | -127.1 | -159.9 | -46.2 | 35.8 | -16.3 | 0 | 0 | 0 | 112.5 | | |
| 519 | V | 30.1 | Very low | 32.2 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | 66.5 | 162.1 | 155.3 | -60.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 520 | D | 27.9 | Very low | 31.2 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -36.7 | 152.9 | -175.5 | -64.7 | -96.3 | 0 | 0 | 0 | 122 | | |
| 521 | G | 26.9 | Very low | 31.1 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | 115.1 | 108.4 | 131 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 522 | L | 29.6 | Very low | 30.9 | Very low | 173 Ų | 173 | 134 Ų | 134 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | | | | -174.2 | 153.3 | 100.1 | -95.2 | 169.1 | 0 | 0 | 0 | 111.7 | | |
| 523 | N | 27.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -121.8 | -169.6 | 178.9 | -160.8 | -23.2 | 0 | 0 | 0 | 108.6 | | |
| 524 | H | 34.6 | Very low | 31.6 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 89.9 | 141 | -178.7 | -49.9 | -62.8 | 0 | 0 | 0 | 115.7 | | |
| 525 | S | 28.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | cis | -165.2 | 154.4 | -16.8 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 526 | G | 27.1 | Very low | 30.9 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | | | trans | 166.4 | 113.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 527 | P | 45.7 | Very low | 31.1 | Very low | 135 Ų | 135 | 130 Ų | 130 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | -121.8 | 163.1 | -159.2 | 41.3 | -32.2 | 0 | 0 | 0 | 116.8 | | |
| 528 | G | 28 | Very low | 31 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | | 136.4 | 119.5 | 126 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 529 | Q | 30.7 | Very low | 30.3 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 83.5 | 127.9 | 135.1 | -60.5 | -154.5 | 24.9 | 0 | 0 | 123.2 | | |
| 530 | N | 29.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | | | trans | 70 | 150 | 140.5 | -60 | -18.1 | 0 | 0 | 0 | 120.1 | | |
| 531 | Q | 28.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | | | cis | -163.3 | 157.1 | -27.6 | -118.5 | 172.4 | 72.6 | 0 | 0 | 107.7 | | |
| 532 | F | 29.6 | Very low | 30.5 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -76.6 | 160.5 | 166.8 | -73.2 | -83 | 0 | 0 | 0 | 111 | | |
| 533 | P | 44.4 | Very low | 30.4 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | | -141.4 | 170.5 | 97.2 | 37.6 | -23.7 | 0 | 0 | 0 | 115.4 | | |
| 534 | S | 28.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -105.8 | 158.8 | -174.6 | -41.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 535 | N | 26.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 132.4 Ų | 132.4 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | -179.4 | 165.5 | 141.1 | -100.7 | -25.6 | 0 | 0 | 0 | 112.1 | | |
| 536 | S | 29.3 | Very low | 30.8 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 52% | 0.524 | 77% | 0.769 | S | S | . | * | | | | -174.1 | 169.6 | -58.3 | 55.3 | 0 | 0 | 0 | 0 | 110 | | |
| 537 | Q | 29.9 | Very low | 31 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | trans | 68.2 | 154.7 | 169.8 | -51.6 | 168.3 | 12.5 | 0 | 0 | 115.4 | | |
| 538 | G | 27.7 | Very low | 30.9 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -174 | 135.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 539 | A | 26.4 | Very low | 30.9 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | | 91.9 | 131.1 | 64.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 540 | L | 32.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | | | trans | 70.1 | 157.2 | 170.5 | -53.8 | -174.6 | 0 | 0 | 0 | 116.6 | | |
| 541 | E | 26 | Very low | 30.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | cis | -163.3 | 176.5 | -23.3 | 179.4 | 167.1 | 129.8 | 0 | 0 | 109.5 | | |
| 542 | L | 30.7 | Very low | 30.9 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | trans | -17 | 145.5 | 172.2 | -65.1 | 161 | 0 | 0 | 0 | 120.1 | | |
| 543 | Q | 26.9 | Very low | 31 | Very low | 178 Ų | 178 | 138 Ų | 138 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | | -175.3 | 153.2 | 114 | -161.9 | 52.1 | 43.2 | 0 | 0 | 114 | | |
| 544 | Q | 28.7 | Very low | 30.3 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -138.2 | 170.3 | 169.8 | -126.3 | -176 | 54.1 | 0 | 0 | 108.2 | | |
| 545 | P | 43.2 | Very low | 30.3 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | cis | -126.3 | -162.6 | -14.9 | 42.3 | -25.9 | 0 | 0 | 0 | 111.5 | | |
| 546 | G | 27.2 | Very low | 30.6 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 157.4 | 93.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 547 | D | 32 | Very low | 30.6 | Very low | 160 Ų | 160 | 147.3 Ų | 147.3 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -83.4 | 159.8 | 151.1 | -95.1 | -58.9 | 0 | 0 | 0 | 109 | | |
| 548 | P | 43.4 | Very low | 30.6 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | cis | -157.6 | -164.9 | 47.2 | 43.5 | -20.6 | 0 | 0 | 0 | 118.5 | | |
| 549 | Q | 27.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 99.6 | 100.7 | 141.3 | -91.9 | -175.4 | -146.3 | 0 | 0 | 122.6 | | |
| 550 | R | 28.6 | Very low | 30.8 | Very low | 189 Ų | 189 | 155 Ų | 155 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 61.3 | 120.7 | 141.4 | -26.2 | -164.6 | 81.2 | -152.5 | 3.3 | 118.1 | | |
| 551 | L | 31.5 | Very low | 30.5 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | | -164.2 | 123.1 | 73.7 | -94.6 | 162.3 | 0 | 0 | 0 | 111.9 | | |
| 552 | N | 29.4 | Very low | 30.7 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -156 | 109.7 | 158.3 | -172.8 | -1.6 | 0 | 0 | 0 | 111.1 | | |
| 553 | H | 32 | Very low | 30.8 | Very low | 160 Ų | 160 | 147 Ų | 147 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -158.5 | 107.3 | 166.2 | -70.8 | 119.9 | 0 | 0 | 0 | 109.3 | | |
| 554 | Q | 29.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | 170 | 100.7 | 141.6 | -97.8 | 176 | 14.7 | 0 | 0 | 113.2 | | |
| 555 | N | 27.9 | Very low | 31.4 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | 158 | 126.1 | 139.3 | -94.3 | -84.1 | 0 | 0 | 0 | 107.5 | | |
| 556 | Q | 32.8 | Very low | 31 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | cis | 74.4 | 57.9 | 40.4 | -57.1 | -157.1 | -1.2 | 0 | 0 | 116.3 | | |
| 557 | N | 30.4 | Very low | 31.3 | Very low | 152 Ų | 152 | 153.3 Ų | 153.3 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | | 64.9 | 146.2 | 116.3 | -152.9 | 11.5 | 0 | 0 | 0 | 121.9 | | |
| 558 | R | 29.7 | Very low | 31.4 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 76.9 | 108 | 162.5 | -81 | -170 | 165.4 | -176.5 | -4.2 | 122.4 | | |
| 559 | N | 28.1 | Very low | 30.8 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 58% | 0.583 | 80% | 0.795 | S | S | * | * | | | | 92.9 | 148.8 | 119.5 | -70.6 | 3 | 0 | 0 | 0 | 122.8 | | |
| 560 | Y | 29.1 | Very low | 31.5 | Very low | 208 Ų | 208 | 150.1 Ų | 150.1 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | 72.4 | 86.8 | 162.3 | -56.1 | -58.2 | 0 | 0 | 0 | 120.1 | | |
| 561 | S | 26.8 | Very low | 31.8 | Very low | 136 Ų | 136 | 147 Ų | 147 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | | | | -165.3 | 140.5 | 126.8 | -82.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 562 | G | 29.1 | Very low | 32.6 | Very low | 86 Ų | 86 | 146.7 Ų | 146.7 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | | | trans | 167.3 | 44.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 563 | G | 32.2 | Very low | 33.3 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | trans | -95.7 | 161.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 564 | D | 35 | Very low | 33.9 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | | | trans | 61.1 | 101.2 | 167.5 | -61.7 | -41.3 | 0 | 0 | 0 | 119.2 | | |
| 565 | G | 33.9 | Very low | 34.3 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | 173.4 | 91.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 566 | R | 34.2 | Very low | 35.2 | Very low | 245 Ų | 245 | 138.9 Ų | 138.9 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | | | trans | 78.4 | 95.1 | 155.5 | -54 | 177 | -176.5 | -77.7 | -5.3 | 119.2 | | |
| 567 | Q | 34.6 | Very low | 35.9 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | | -23.1 | 146 | 125.8 | -56.8 | -73.7 | -3.9 | 0 | 0 | 113.5 | | |
| 568 | N | 32.9 | Very low | 36.5 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | cis | -163.5 | 134.3 | -4.8 | 178.4 | 50.5 | 0 | 0 | 0 | 109.2 | | |
| 569 | V | 32.2 | Very low | 37.4 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | -143.9 | 113.9 | 169.1 | 180 | 0 | 0 | 0 | 0 | 109.5 | N571 | V569-N571 PolarHBondContact O-N 3.27Å; V569-N571 VanDerWaalsContact O-N 3.12Å |
| 570 | P | 41.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | | | trans | -81.9 | 89.5 | 178.9 | 32.3 | -33.2 | 0 | 0 | 0 | 110.9 | | |
| 571 | N | 35.5 | Very low | 40 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | trans | -88.9 | 102.8 | 170.1 | -166.5 | 15.4 | 0 | 0 | 0 | 109.4 | V569 I573 | V569-N571 PolarHBondContact O-N 3.27Å; V569-N571 VanDerWaalsContact O-N 3.12Å; N571-I573 VanDerWaalsContact C-N 3.25Å; N571-I573 PolarHBondContact O-N 3.21Å |
| 572 | I | 47.9 | Very low | 41.5 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | | | trans | -80.4 | 70.1 | -171.1 | -43.7 | 177 | 0 | 0 | 0 | 110.8 | | |
| 573 | I | 43.9 | Very low | 43.1 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | | | trans | -93 | 115.8 | 167.4 | -58.4 | 179 | 0 | 0 | 0 | 107.5 | N571 T575 | N571-I573 VanDerWaalsContact C-N 3.25Å; N571-I573 PolarHBondContact O-N 3.21Å; I573-T575 PolarHBondContact O-N 3.29Å |
| 574 | L | 44 | Very low | 44.4 | Very low | 174 Ų | 174 | 124.4 Ų | 124.4 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | | | trans | -71.9 | 73.7 | 176.8 | -76 | 164.3 | 0 | 0 | 0 | 111.1 | | |
| 575 | T | 39.1 | Very low | 45.9 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 64% | 0.638 | 70% | 0.7 | S | S | * | * | | | trans | -90.2 | 131.6 | 166.4 | -41.4 | 0 | 0 | 0 | 0 | 108.3 | I573 D577 | I573-T575 PolarHBondContact O-N 3.29Å; T575-D577 PolarHBondContact O-N 2.97Å |
| 576 | G | 46.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -69.8 | 17.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 577 | D | 47.7 | Very low | 49.1 | Very low | 154 Ų | 154 | 116.9 Ų | 116.9 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | | | trans | -105.1 | 86.5 | -179.4 | -80.3 | -70.1 | 0 | 0 | 0 | 111.1 | T575 | T575-D577 PolarHBondContact O-N 2.97Š|
| 578 | S | 41.4 | Very low | 50.6 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | | | trans | -80.2 | 134.3 | 173.3 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 579 | P | 50.6 | Low | 52.1 | Low | 84 Ų | 84 | 108.7 Ų | 108.7 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | | | trans | -65.1 | 143.6 | 172.9 | 27.9 | -34.2 | 0 | 0 | 0 | 110.7 | G581 L582 | P579-G581 PolarHBondContact O-N 2.99Å; P579-L582 HydrophobicContact CG-CD1 4.28Å; P579-L582 PolarHBondContact O-N 2.98Å |
| 580 | P | 56.7 | Low | 53.7 | Low | 123 Ų | 123 | 106.1 Ų | 106.1 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 15.8 | -165 | 28.9 | -37.5 | 0 | 0 | 0 | 116.3 | | |
| 581 | G | 54.8 | Low | 54.5 | Low | 45 Ų | 45 | 105.1 Ų | 105.1 | 46% | 0.464 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.9 | -43.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P579 S583 K584 E585 | P579-G581 PolarHBondContact O-N 2.99Å; G581-S583 PolarHBondContact O-N 3.12Å; G581-K584 WeakPolarHBondContact O-CB 3.39Å; G581-K584 PolarHBondContact O-N 3.38Å; G581-K584 VanDerWaalsContact O-N 3.12Å; G581-E585 PolarHBondContact O-N 3.42Å |
| 582 | L | 57.8 | Low | 55.6 | Low | 86 Ų | 86 | 106.2 Ų | 106.2 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64 | -41.1 | -166.9 | -72.6 | 170.8 | 0 | 0 | 0 | 113.4 | P579 K584 E585 I586 | P579-L582 HydrophobicContact CG-CD1 4.28Å; P579-L582 PolarHBondContact O-N 2.98Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.01Å; L582-E585 PolarHBondContact O-N 2.8Å; L582-I586 WeakPolarHBondContact O-CD1 3.4Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 2.68Å |
| 583 | S | 62.7 | Low | 56 | Low | 77 Ų | 77 | 102.3 Ų | 102.3 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.6 | -41.8 | 176.1 | 49 | 0 | 0 | 0 | 0 | 111.8 | G581 I586 T587 | G581-S583 PolarHBondContact O-N 3.12Å; S583-I586 PolarHBondContact O-N 2.67Å; S583-T587 PolarHBondContact O-N 2.88Å; S583-T587 PolarHBondContact O-OG1 3.06Å |
| 584 | K | 59.8 | Low | 55.9 | Low | 165 Ų | 165 | 102.9 Ų | 102.9 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70 | -35 | 180 | -161 | 171.4 | -173.6 | 175.2 | 0 | 112.5 | G581 L582 S588 | G581-K584 WeakPolarHBondContact O-CB 3.39Å; G581-K584 PolarHBondContact O-N 3.38Å; G581-K584 VanDerWaalsContact O-N 3.12Å; L582-K584 VanDerWaalsContact C-N 3.3Å; L582-K584 PolarHBondContact O-N 3.01Å; K584-S588 WeakPolarHBondContact O-CB 3.32Å; K584-S588 PolarHBondContact O-N 3.18Å |
| 585 | E | 66.9 | Low | 56.2 | Low | 137 Ų | 137 | 97.8 Ų | 97.8 | 64% | 0.64 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.8 | -43.2 | 174.7 | -167 | 164.7 | -135.6 | 0 | 0 | 111.5 | G581 L582 S588 A589 | G581-E585 PolarHBondContact O-N 3.42Å; L582-E585 PolarHBondContact O-N 2.8Å; E585-S588 PolarHBondContact O-N 3.19Å; E585-A589 PolarHBondContact O-N 3.49Å |
| 586 | I | 68.3 | Low | 56.6 | Low | 103 Ų | 103 | 98.8 Ų | 98.8 | 53% | 0.528 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.3 | -47 | 174.2 | -66.6 | 163 | 0 | 0 | 0 | 111.1 | L582 S583 S588 A589 L590 | L582-I586 WeakPolarHBondContact O-CD1 3.4Å; L582-I586 VanDerWaalsContact O-CG1 3.27Å; L582-I586 WeakPolarHBondContact O-CG1 3.45Å; L582-I586 PolarHBondContact O-N 2.68Å; S583-I586 PolarHBondContact O-N 2.67Å; I586-S588 VanDerWaalsContact C-N 3.3Å; I586-S588 PolarHBondContact O-N 3.33Å; I586-A589 PolarHBondContact O-N 3.48Å; I586-A589 VanDerWaalsContact O-N 3.13Å; I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.48Å; I586-L590 WeakPolarHBondContact O-CG 3.45Å; I586-L590 PolarHBondContact O-N 2.87Å |
| 587 | T | 66.9 | Low | 57 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.4 | -41.1 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | S583 A589 L590 S591 | S583-T587 PolarHBondContact O-N 2.88Å; S583-T587 PolarHBondContact O-OG1 3.06Å; T587-A589 VanDerWaalsContact C-N 3.31Å; T587-A589 PolarHBondContact O-N 3.21Å; T587-L590 PolarHBondContact O-N 2.86Å; T587-S591 WeakPolarHBondContact O-CB 3.48Å; T587-S591 PolarHBondContact O-N 2.84Å |
| 588 | S | 65.3 | Low | 57.4 | Low | 66 Ų | 66 | 103.5 Ų | 103.5 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70.9 | -22.6 | 177.2 | -170.1 | 0 | 0 | 0 | 0 | 113.9 | K584 E585 I586 S591 H592 | K584-S588 WeakPolarHBondContact O-CB 3.32Å; K584-S588 PolarHBondContact O-N 3.18Å; E585-S588 PolarHBondContact O-N 3.19Å; I586-S588 VanDerWaalsContact C-N 3.3Å; I586-S588 PolarHBondContact O-N 3.33Å; S588-S591 PolarHBondContact O-OG 3.42Å; S588-H592 PolarHBondContact O-CE1 3.39Å; S588-H592 PolarHBondContact O-ND1 3.16Å |
| 589 | A | 65.2 | Low | 57.4 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -77.8 | -42.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E585 I586 T587 | E585-A589 PolarHBondContact O-N 3.49Å; I586-A589 PolarHBondContact O-N 3.48Å; I586-A589 VanDerWaalsContact O-N 3.13Å; T587-A589 VanDerWaalsContact C-N 3.31Å; T587-A589 PolarHBondContact O-N 3.21Å |
| 590 | L | 65.3 | Low | 57.3 | Low | 75 Ų | 75 | 104.2 Ų | 104.2 | 39% | 0.393 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.5 | -30.8 | 179.8 | -66 | 174.2 | 0 | 0 | 0 | 113 | I586 T587 H592 V593 | I586-L590 HydrophobicContact CG2-CD1 3.96Å; I586-L590 HydrophobicContact CG2-CG 4.48Å; I586-L590 WeakPolarHBondContact O-CG 3.45Å; I586-L590 PolarHBondContact O-N 2.87Å; T587-L590 PolarHBondContact O-N 2.86Å; L590-H592 PolarHBondContact O-N 2.88Å; L590-V593 WeakPolarHBondContact O-CB 3.27Å; L590-V593 PolarHBondContact O-N 3.16Å |
| 591 | S | 59.5 | Low | 56.4 | Low | 83 Ų | 83 | 106.6 Ų | 106.6 | 58% | 0.58 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -3 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 115.1 | T587 S588 | T587-S591 WeakPolarHBondContact O-CB 3.48Å; T587-S591 PolarHBondContact O-N 2.84Å; S588-S591 PolarHBondContact O-OG 3.42Å |
| 592 | H | 57.4 | Low | 55.9 | Low | 148 Ų | 148 | 109.7 Ų | 109.7 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 5.6 | 175.2 | -67.6 | 89.5 | 0 | 0 | 0 | 112.9 | S588 L590 P594 | S588-H592 PolarHBondContact O-CE1 3.39Å; S588-H592 PolarHBondContact O-ND1 3.16Å; L590-H592 PolarHBondContact O-N 2.88Å; H592-P594 WeakPolarHBondContact O-CD 3.49Å |
| 593 | V | 56.3 | Low | 55.2 | Low | 70 Ų | 70 | 113.5 Ų | 113.5 | 42% | 0.424 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -96.3 | 112.1 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | L590 G595 F596 | L590-V593 WeakPolarHBondContact O-CB 3.27Å; L590-V593 PolarHBondContact O-N 3.16Å; V593-G595 PolarHBondContact O-N 3.16Å; V593-F596 HydrophobicContact CB-CB 4.04Å; V593-F596 HydrophobicContact CG1-CB 4.18Å; V593-F596 HydrophobicContact CG1-CD2 4.27Å; V593-F596 PolarHBondContact O-N 3.16Å; V593-F596 VanDerWaalsContact O-N 3.16Å |
| 594 | P | 41.3 | Very low | 54.3 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 128.6 | 177.7 | -21.8 | 33.9 | 0 | 0 | 0 | 111.2 | H592 | H592-P594 WeakPolarHBondContact O-CD 3.49Š|
| 595 | G | 50 | Low | 53.4 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.1 | 6.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V593 E597 | V593-G595 PolarHBondContact O-N 3.16Å; G595-E597 VanDerWaalsContact C-N 3.3Å; G595-E597 PolarHBondContact O-N 3.08Å |
| 596 | F | 49.1 | Very low | 52.2 | Low | 125 Ų | 125 | 115 Ų | 115 | 55% | 0.548 | 66% | 0.656 | S | S | . | * | | | trans | -94.4 | 58.3 | 169.1 | -130.2 | -85.8 | 0 | 0 | 0 | 111.1 | V593 M598 | V593-F596 HydrophobicContact CB-CB 4.04Å; V593-F596 HydrophobicContact CG1-CB 4.18Å; V593-F596 HydrophobicContact CG1-CD2 4.27Å; V593-F596 PolarHBondContact O-N 3.16Å; V593-F596 VanDerWaalsContact O-N 3.16Å; F596-M598 PolarHBondContact O-N 3.3Å |
| 597 | E | 54.4 | Low | 51 | Low | 159 Ų | 159 | 117.5 Ų | 117.5 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | | | trans | -64.9 | 98 | 176.7 | -53.9 | -65.8 | 109.3 | 0 | 0 | 109.4 | G595 D599 | G595-E597 VanDerWaalsContact C-N 3.3Å; G595-E597 PolarHBondContact O-N 3.08Å; E597-D599 PolarHBondContact O-N 3.48Å |
| 598 | M | 55 | Low | 50.2 | Low | 172 Ų | 172 | 124 Ų | 124 | 85% | 0.847 | 68% | 0.684 | S | S | * | * | | | trans | -78.6 | 75.3 | 172.1 | -174.8 | 69.9 | -173.2 | 0 | 0 | 109.2 | F596 A600 | F596-M598 PolarHBondContact O-N 3.3Å; M598-A600 PolarHBondContact O-N 2.94Å |
| 599 | D | 42.3 | Very low | 49.5 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | | | trans | -58.2 | 107.8 | 174.4 | -99.2 | -35.1 | 0 | 0 | 0 | 110 | E597 F601 | E597-D599 PolarHBondContact O-N 3.48Å; D599-F601 HydrophobicContact CB-CD2 3.83Å; D599-F601 HydrophobicContact CB-CE2 3.47Å; D599-F601 VanDerWaalsContact CB-CE2 3.47Å; D599-F601 HydrophobicContact CB-CZ 4.08Å; D599-F601 WeakPolarHBondContact O-CD2 3.41Å; D599-F601 PolarHBondContact O-N 2.91Å |
| 600 | A | 49.2 | Very low | 48.7 | Very low | 85 Ų | 85 | 131 Ų | 131 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | | | trans | -78.1 | 67 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M598 S602 | M598-A600 PolarHBondContact O-N 2.94Å; A600-S602 PolarHBondContact O-N 3.12Å; A600-S602 PolarHBondContact O-OG 3.09Å |
| 601 | F | 37.5 | Very low | 48 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | | | trans | -51.8 | 102.7 | 173 | -74.2 | -76.6 | 0 | 0 | 0 | 109.9 | D599 L603 | D599-F601 HydrophobicContact CB-CD2 3.83Å; D599-F601 HydrophobicContact CB-CE2 3.47Å; D599-F601 VanDerWaalsContact CB-CE2 3.47Å; D599-F601 HydrophobicContact CB-CZ 4.08Å; D599-F601 WeakPolarHBondContact O-CD2 3.41Å; D599-F601 PolarHBondContact O-N 2.91Å; F601-L603 PolarHBondContact O-N 3Å; F601-L603 VanDerWaalsContact O-N 3.12Å |
| 602 | S | 43.4 | Very low | 47.5 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | -75.7 | 101.9 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 108.2 | A600 D604 | A600-S602 PolarHBondContact O-N 3.12Å; A600-S602 PolarHBondContact O-OG 3.09Å; S602-D604 PolarHBondContact O-N 3.12Å |
| 603 | L | 42.5 | Very low | 47.1 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 87% | 0.869 | 73% | 0.731 | S | S | * | * | | | trans | -82.6 | 50.2 | -169.7 | -156.4 | 98.8 | 0 | 0 | 0 | 113.1 | F601 | F601-L603 PolarHBondContact O-N 3Å; F601-L603 VanDerWaalsContact O-N 3.12Å |
| 604 | D | 44.1 | Very low | 46.9 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -114 | 63.4 | 177.8 | -85 | -68.6 | 0 | 0 | 0 | 110.7 | S602 | S602-D604 PolarHBondContact O-N 3.12Š|
| 605 | E | 40.8 | Very low | 47.2 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | -162.5 | 120.8 | 152.9 | -166.8 | 59.5 | -139.9 | 0 | 0 | 111.1 | L607 | E605-L607 PolarHBondContact O-N 3.22Å; E605-L607 VanDerWaalsContact O-N 3.09Å |
| 606 | P | 42.1 | Very low | 47.3 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | trans | -84.7 | 80.6 | -178.2 | 33.6 | -35.1 | 0 | 0 | 0 | 112.4 | R608 | P606-R608 PolarHBondContact O-N 3.09Š|
| 607 | L | 43.1 | Very low | 47.6 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -56.6 | 120.7 | 175 | -84.9 | 170.6 | 0 | 0 | 0 | 112.1 | E605 | E605-L607 PolarHBondContact O-N 3.22Å; E605-L607 VanDerWaalsContact O-N 3.09Å |
| 608 | R | 50.8 | Low | 47.3 | Very low | 232 Ų | 232 | 145.1 Ų | 145.1 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | | | trans | -90.2 | 125.5 | 177.3 | -45.6 | 179.7 | 83.5 | 90.1 | -1 | 108.8 | P606 | P606-R608 PolarHBondContact O-N 3.09Š|
| 609 | I | 50 | Low | 47 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | trans | -121.3 | 137 | 175.2 | -68.6 | 176.7 | 0 | 0 | 0 | 108.9 | | |
| 610 | D | 48.2 | Very low | 47.3 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | | | trans | -89.3 | 134.7 | -169 | -157.6 | 41.9 | 0 | 0 | 0 | 110.9 | L612 | D610-L612 PolarHBondContact O-N 3.45Š|
| 611 | P | 51.9 | Low | 47.6 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 26.4 | -159.5 | 34.5 | -37.6 | 0 | 0 | 0 | 115.2 | | |
| 612 | L | 48.2 | Very low | 48.4 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 7.7 | -174.3 | -64.9 | 177.6 | 0 | 0 | 0 | 114.8 | D610 | D610-L612 PolarHBondContact O-N 3.45Š|
| 613 | A | 49.5 | Very low | 48.6 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -106.2 | -1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 614 | L | 51.2 | Low | 48.5 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -106.4 | -12.6 | -168.4 | -69.2 | 173.7 | 0 | 0 | 0 | 115.7 | L616 | L614-L616 PolarHBondContact O-N 3.08Å; L614-L616 VanDerWaalsContact O-N 3.08Å |
| 615 | D | 48.1 | Very low | 48.5 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -5.5 | -169.5 | -152.7 | 46.2 | 0 | 0 | 0 | 114.7 | | |
| 616 | L | 52.9 | Low | 49.1 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 2.6 | -168 | -137.7 | 76.3 | 0 | 0 | 0 | 115.3 | L614 | L614-L616 PolarHBondContact O-N 3.08Å; L614-L616 VanDerWaalsContact O-N 3.08Å |
| 617 | L | 53.6 | Low | 49.6 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -117.9 | -2.3 | -168.8 | -63.5 | 180 | 0 | 0 | 0 | 115.8 | | |
| 618 | E | 48 | Very low | 50 | Low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -85.3 | -6.9 | -176.7 | -163.5 | 162.2 | -160.1 | 0 | 0 | 113.9 | | |
| 619 | G | 49.8 | Very low | 50 | Low | 82 Ų | 82 | 137.6 Ų | 137.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -85.7 | -13.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 620 | E | 48.9 | Very low | 50.1 | Low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -124.9 | 46.9 | -163 | -154.6 | -171.5 | -147.5 | 0 | 0 | 115.3 | | |
| 621 | L | 54.2 | Low | 50.2 | Low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -130.5 | 15.4 | 176.7 | -72.5 | 177.2 | 0 | 0 | 0 | 115.9 | | |
| 622 | M | 54.2 | Low | 50.3 | Low | 183 Ų | 183 | 137.3 Ų | 137.3 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | | | trans | -115.3 | 98.4 | 172.9 | -73.5 | -156.6 | 73.2 | 0 | 0 | 112.9 | | |
| 623 | L | 47.6 | Very low | 50.6 | Low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | | | trans | -168.7 | 93.8 | 150 | -107.9 | 168 | 0 | 0 | 0 | 110.3 | | |
| 624 | A | 42.2 | Very low | 50.8 | Low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -104.2 | 128.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | P626 | A624-P626 WeakPolarHBondContact O-CD 3.25Š|
| 625 | D | 43.7 | Very low | 50.9 | Low | 113 Ų | 113 | 140.6 Ų | 140.6 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | | | trans | -73.2 | 121.2 | -172.5 | -174.3 | -10.7 | 0 | 0 | 0 | 112 | A627 | D625-A627 PolarHBondContact O-N 3.38Å; D625-A627 VanDerWaalsContact O-N 3.12Å; D625-A627 VanDerWaalsContact OD1-CB 3.25Å; D625-A627 WeakPolarHBondContact OD1-CB 3.41Å; D625-A627 PolarHBondContact OD1-N 2.97Å |
| 626 | P | 53.8 | Low | 51 | Low | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -60.5 | -15.8 | 176 | -24.1 | 35.2 | 0 | 0 | 0 | 115.4 | A624 V628 | A624-P626 WeakPolarHBondContact O-CD 3.25Å; P626-V628 PolarHBondContact O-N 3.03Å; P626-V628 VanDerWaalsContact O-N 3.16Å |
| 627 | A | 51.5 | Low | 51 | Low | 73 Ų | 73 | 144 Ų | 144 | 60% | 0.603 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -67.9 | -11.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D625 | D625-A627 PolarHBondContact O-N 3.38Å; D625-A627 VanDerWaalsContact O-N 3.12Å; D625-A627 VanDerWaalsContact OD1-CB 3.25Å; D625-A627 WeakPolarHBondContact OD1-CB 3.41Å; D625-A627 PolarHBondContact OD1-N 2.97Å |
| 628 | V | 51.9 | Low | 50.6 | Low | 101 Ų | 101 | 150.2 Ų | 150.2 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -82.2 | -26.6 | -170.7 | -175 | 0 | 0 | 0 | 0 | 113.6 | P626 | P626-V628 PolarHBondContact O-N 3.03Å; P626-V628 VanDerWaalsContact O-N 3.16Å |
| 629 | E | 50.8 | Low | 50.7 | Low | 168 Ų | 168 | 148.2 Ų | 148.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -77.6 | -25.6 | -169.6 | -76.7 | -173.5 | 46 | 0 | 0 | 115.5 | S631 | E629-S631 VanDerWaalsContact C-N 3.31Å; E629-S631 PolarHBondContact O-N 2.87Å |
| 630 | D | 52.2 | Low | 50.8 | Low | 118 Ų | 118 | 151.7 Ų | 151.7 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -77.8 | -16.4 | -173.5 | -153.8 | 29 | 0 | 0 | 0 | 113.4 | F632 R633 | D630-F632 PolarHBondContact O-N 2.86Å; D630-R633 PolarHBondContact O-N 3.05Å; D630-R633 VanDerWaalsContact O-N 3.16Å |
| 631 | S | 50.6 | Low | 50.9 | Low | 90 Ų | 90 | 150 Ų | 150 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -62 | -18.1 | -178.7 | -163.3 | 0 | 0 | 0 | 0 | 114.2 | E629 | E629-S631 VanDerWaalsContact C-N 3.31Å; E629-S631 PolarHBondContact O-N 2.87Å |
| 632 | F | 53.3 | Low | 50.7 | Low | 173 Ų | 173 | 148.8 Ų | 148.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -94.7 | -2.4 | -179.8 | -69.5 | -78.5 | 0 | 0 | 0 | 114.8 | D630 | D630-F632 PolarHBondContact O-N 2.86Š|
| 633 | R | 53.8 | Low | 50.5 | Low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -92.3 | -16.8 | -178.1 | -69.8 | -175.4 | 174.2 | -117 | -0.4 | 114.5 | D630 | D630-R633 PolarHBondContact O-N 3.05Å; D630-R633 VanDerWaalsContact O-N 3.16Å |
| 634 | S | 54.8 | Low | 50.7 | Low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -85.5 | -22.6 | -172.9 | 49.7 | 0 | 0 | 0 | 0 | 115 | R636 | S634-R636 VanDerWaalsContact C-N 3.26Å; S634-R636 PolarHBondContact O-N 3.13Å |
| 635 | D | 52.1 | Low | 51.3 | Low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 13.4 | -173.4 | -161.7 | 47.2 | 0 | 0 | 0 | 115.1 | | |
| 636 | R | 51.9 | Low | 51.9 | Low | 230 Ų | 230 | 150.9 Ų | 150.9 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 17.6 | 178.2 | -58.3 | -165.2 | 76.2 | -162.2 | 4 | 114.4 | S634 | S634-R636 VanDerWaalsContact C-N 3.26Å; S634-R636 PolarHBondContact O-N 3.13Å |
| 637 | L | 52.9 | Low | 51.7 | Low | 164 Ų | 164 | 153.8 Ų | 153.8 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -129.6 | 71.7 | 178.5 | -86.8 | 164.7 | 0 | 0 | 0 | 112.1 | | |
| 638 | K | 44.8 | Very low | 51.7 | Low | 281 Ų | 281 | 161.2 Ų | 161.2 | 100% | 1.222 | 78% | 0.78 | S | S | * | * | | | trans | -153 | 0 | 161.7 | -153.7 | 148.8 | -168.2 | 163.2 | 0 | 112.8 | | |