| 1 | M | 36 | Very low | 43.6 | Very low | 240 Ų | 240 | 156.9 Ų | 156.9 | 100% | 1.182 | 84% | 0.842 | S | S | * | * | | | | 0 | 135.7 | 0 | -53.4 | -48.8 | -172 | 0 | 0 | 108.4 | | |
| 2 | A | 37.6 | Very low | 43.6 | Very low | 91 Ų | 91 | 152.8 Ų | 152.8 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | | | cis | -158.7 | 153.1 | -20.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 3 | V | 45.9 | Very low | 43.4 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | | | trans | -96.4 | 146.4 | 169.8 | 179 | 0 | 0 | 0 | 0 | 108.5 | | |
| 4 | P | 53.4 | Low | 43.3 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | | | trans | -128.2 | 128.5 | 141.6 | 34.4 | -24.4 | 0 | 0 | 0 | 112 | | |
| 5 | C | 43.3 | Very low | 43.3 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 76% | 0.764 | 84% | 0.842 | S | S | * | * | | | trans | -73.9 | 150.4 | 165 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 6 | L | 52.6 | Low | 43.3 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | | | trans | -115 | 134 | 158.1 | -77.8 | 173.3 | 0 | 0 | 0 | 109.6 | | |
| 7 | L | 47.4 | Very low | 43.4 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 79% | 0.791 | 84% | 0.843 | S | S | * | * | | | trans | -121.5 | 147.3 | -170.6 | -170.6 | 81.8 | 0 | 0 | 0 | 109.1 | | |
| 8 | R | 41.4 | Very low | 43.3 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | | | trans | 65.6 | 159.6 | 179.5 | -70.6 | 168.7 | 157 | -118 | -1.1 | 113 | | |
| 9 | Q | 41.1 | Very low | 43.1 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 84% | 0.839 | S | S | * | * | | | cis | -144.9 | 143.7 | 18.8 | -162.5 | 152.3 | -44.1 | 0 | 0 | 111.5 | | |
| 10 | G | 40.5 | Very low | 42.8 | Very low | 73 Ų | 73 | 147.6 Ų | 147.6 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | | | trans | -82.2 | 168.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 11 | R | 40.8 | Very low | 42.7 | Very low | 252 Ų | 252 | 148.6 Ų | 148.6 | 95% | 0.951 | 84% | 0.837 | S | S | * | * | | | trans | -127.8 | 128.9 | 161.1 | -68 | -171.7 | 179.3 | -141 | 0 | 108.7 | | |
| 12 | A | 43.2 | Very low | 42.8 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | | | trans | -79.8 | 129.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 13 | G | 40.8 | Very low | 43 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | | | trans | -82.4 | 119.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L15 | G13-L15 PolarHBondContact O-N 3.23Å; G13-L15 VanDerWaalsContact O-N 3.13Å |
| 14 | A | 42.8 | Very low | 42.6 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -77.5 | 97.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K16 | A14-K16 PolarHBondContact O-N 3.48Š|
| 15 | L | 43 | Very low | 41.9 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | | | trans | -76.1 | 107.2 | 172.1 | -68.7 | 175.5 | 0 | 0 | 0 | 110.3 | G13 A17 | G13-L15 PolarHBondContact O-N 3.23Å; G13-L15 VanDerWaalsContact O-N 3.13Å; L15-A17 PolarHBondContact O-N 3.12Å; L15-A17 VanDerWaalsContact O-N 3.13Å |
| 16 | K | 43.1 | Very low | 41.6 | Very low | 202 Ų | 202 | 156 Ų | 156 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | | | trans | -74.3 | 95.7 | 167.1 | -75.7 | -170.5 | 175.5 | -174.5 | 0 | 109.9 | A14 V18 | A14-K16 PolarHBondContact O-N 3.48Å; K16-V18 PolarHBondContact O-N 2.95Å |
| 17 | A | 45.3 | Very low | 40.7 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | | | trans | -71.2 | 118.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L15 L19 | L15-A17 PolarHBondContact O-N 3.12Å; L15-A17 VanDerWaalsContact O-N 3.13Å; A17-L19 PolarHBondContact O-N 3.22Å |
| 18 | V | 40.5 | Very low | 40.3 | Very low | 131 Ų | 131 | 152 Ų | 152 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | | | trans | -86.1 | 106 | 167.1 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | K16 Q20 | K16-V18 PolarHBondContact O-N 2.95Å; V18-Q20 PolarHBondContact O-N 3.3Å |
| 19 | L | 39.6 | Very low | 40 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 83% | 0.827 | 83% | 0.834 | S | S | * | * | | | trans | -76.5 | 109.3 | 173.3 | -164.6 | 76.5 | 0 | 0 | 0 | 108.3 | A17 E21 | A17-L19 PolarHBondContact O-N 3.22Å; L19-E21 PolarHBondContact O-N 3.13Å |
| 20 | Q | 37.8 | Very low | 39.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | | | trans | -93.4 | 87.9 | 178.2 | -164.7 | 165.6 | 21.5 | 0 | 0 | 110.1 | V18 | V18-Q20 PolarHBondContact O-N 3.3Š|
| 21 | E | 40.9 | Very low | 39.6 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 79% | 0.785 | 84% | 0.836 | S | S | * | * | | | trans | -73.5 | 127.7 | 177.1 | -167.5 | 169.7 | -140 | 0 | 0 | 110.5 | L19 | L19-E21 PolarHBondContact O-N 3.13Š|
| 22 | A | 38.3 | Very low | 39.2 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | | | trans | -148.3 | 69.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 23 | Q | 40.9 | Very low | 38.8 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | -79.6 | 135.6 | 157.9 | -67.7 | -173.1 | -0.9 | 0 | 0 | 109.9 | | |
| 24 | V | 37 | Very low | 38.7 | Very low | 138 Ų | 138 | 145 Ų | 145 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | | | | -178.9 | 141.2 | 121 | 151.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 25 | F | 40.1 | Very low | 38.4 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -66.7 | 147.9 | -174.8 | -63.7 | -106.2 | 0 | 0 | 0 | 114.9 | | |
| 26 | R | 36.2 | Very low | 38 | Very low | 248 Ų | 248 | 142.6 Ų | 142.6 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | | | trans | -151.8 | 119.9 | 138.9 | -171.8 | 156.6 | -77.4 | -108.8 | 0.6 | 113.4 | | |
| 27 | G | 34.6 | Very low | 37.5 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | | | trans | -29.9 | 146.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 28 | L | 39 | Very low | 36.9 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | trans | -108.9 | 121.1 | 153.5 | -69.8 | 174.5 | 0 | 0 | 0 | 108.8 | | |
| 29 | A | 35.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | | | trans | -91.8 | 120.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 30 | S | 35.2 | Very low | 36.4 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | | | trans | -108.9 | 100 | 176.2 | -169.4 | 0 | 0 | 0 | 0 | 109.9 | V32 | S30-V32 PolarHBondContact O-N 3.49Š|
| 31 | T | 36.2 | Very low | 36.3 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | | | trans | -87.9 | 95.3 | 175.6 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 32 | V | 33.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | | | trans | -97 | 107.5 | 169.3 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | S30 L34 | S30-V32 PolarHBondContact O-N 3.49Å; V32-L34 PolarHBondContact O-N 3.13Å |
| 33 | S | 34.5 | Very low | 35.7 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -77.8 | 113.4 | 177 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 34 | L | 39.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | | | trans | -98.1 | 105.6 | 166.3 | -67.7 | 178.2 | 0 | 0 | 0 | 109.4 | V32 A36 | V32-L34 PolarHBondContact O-N 3.13Å; L34-A36 PolarHBondContact O-N 3.42Å |
| 35 | S | 35.8 | Very low | 34.9 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | -82.3 | 103.3 | 172.2 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 36 | A | 33.9 | Very low | 35.4 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -94.2 | 116.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L34 | L34-A36 PolarHBondContact O-N 3.42Š|
| 37 | E | 33 | Very low | 35.3 | Very low | 201 Ų | 201 | 134 Ų | 134 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -91 | 142.2 | 171.3 | -167.1 | 162.3 | 130.6 | 0 | 0 | 110.3 | | |
| 38 | A | 34.2 | Very low | 35.3 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | | | trans | -138.8 | 118.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 39 | G | 29.5 | Very low | 35.9 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | | | trans | 179.1 | 151.8 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 40 | K | 39.3 | Very low | 35.5 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | cis | 160.6 | 157.7 | -12.4 | -114.6 | 179.1 | -178 | -178 | 0 | 103.9 | | |
| 41 | N | 35.9 | Very low | 35.6 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | | | trans | 81.7 | 157.8 | 178.5 | 95 | 30.8 | 0 | 0 | 0 | 114.9 | | |
| 42 | E | 32.3 | Very low | 35.4 | Very low | 139 Ų | 139 | 147.9 Ų | 147.9 | 65% | 0.65 | 82% | 0.821 | S | S | * | * | | | cis | -155.2 | 158.6 | -49.2 | -138.6 | -156.1 | 156.4 | 0 | 0 | 111.1 | | |
| 43 | K | 33.7 | Very low | 35.4 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | | | trans | 47.1 | 126.7 | 158 | -71.5 | 175.8 | -178.9 | 111.1 | 0 | 120.9 | | |
| 44 | G | 29.6 | Very low | 35.6 | Very low | 82 Ų | 82 | 148.6 Ų | 148.6 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | | | trans | 156 | 122.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 45 | Q | 31 | Very low | 35.8 | Very low | 188 Ų | 188 | 146.7 Ų | 146.7 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | | | trans | -154.5 | 169.7 | 175.9 | -143.5 | -149.6 | -11.8 | 0 | 0 | 109.9 | | |
| 46 | P | 52.3 | Low | 35.8 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | | | | -113.3 | 167 | -81.8 | 37 | -26.1 | 0 | 0 | 0 | 113.5 | | |
| 47 | Q | 33.6 | Very low | 35.7 | Very low | 201 Ų | 201 | 151.7 Ų | 151.7 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | | | trans | -142.6 | 171.4 | 158.8 | -74 | -155.8 | -5.3 | 0 | 0 | 113.2 | | |
| 48 | N | 33.4 | Very low | 35.7 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -96.4 | 166.9 | -151.1 | -95.9 | -53.6 | 0 | 0 | 0 | 117.2 | | |
| 49 | P | 52.2 | Low | 35.6 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | | | trans | -98.7 | 158.8 | -172.8 | 38.5 | -36.1 | 0 | 0 | 0 | 115.5 | | |
| 50 | K | 27.9 | Very low | 35.7 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | | | trans | -174.7 | 130.1 | 156.1 | -118.7 | 171.7 | -177.4 | 175.2 | 0 | 114.5 | | |
| 51 | K | 36.6 | Very low | 35.9 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 91% | 0.913 | 77% | 0.77 | S | S | * | * | | | | 172.5 | 158.7 | 124.7 | -94.5 | 165.9 | -177.3 | 179.8 | 0 | 113 | | |
| 52 | Q | 31.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -108.2 | 168.2 | -171.4 | -61.4 | 154.9 | -87.5 | 0 | 0 | 112.9 | | |
| 53 | S | 35 | Very low | 35.5 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -146.6 | 145.2 | 151 | 54 | 0 | 0 | 0 | 0 | 111.3 | | |
| 54 | P | 38.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -111.2 | 166.7 | -179.5 | 40.1 | -33.7 | 0 | 0 | 0 | 114.8 | | |
| 55 | P | 43.1 | Very low | 35.5 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -105.1 | 168.9 | -176.5 | 40.2 | -35.5 | 0 | 0 | 0 | 115.9 | | |
| 56 | K | 34.9 | Very low | 35.9 | Very low | 197 Ų | 197 | 145.6 Ų | 145.6 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -146.5 | 137.1 | 162 | -64.3 | -169 | 177.6 | -169.1 | 0 | 107.6 | | |
| 57 | N | 33.1 | Very low | 34.9 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | | 69.5 | 139.6 | 56.9 | -79.8 | 13.9 | 0 | 0 | 0 | 115.2 | | |
| 58 | V | 32.8 | Very low | 34.8 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 41% | 0.406 | 76% | 0.762 | S | S | . | * | | | cis | -168.6 | -164.7 | -24.5 | 93.6 | 0 | 0 | 0 | 0 | 111.1 | L400 E401 | V58-L400 HydrophobicContact CB-CD1 4.16Å; V58-L400 HydrophobicContact CG1-CD1 3.73Å; V58-L400 HydrophobicContact CG2-CD1 3.45Å; V58-L400 VanDerWaalsContact CG2-CD1 3.45Å; V58-E401 WeakPolarHBondContact CG1-OE1 3.3Å |
| 59 | V | 32 | Very low | 34.6 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | trans | 72.5 | 133.7 | 178.1 | -164.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 60 | E | 30.2 | Very low | 33.4 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 48% | 0.477 | 76% | 0.756 | S | S | . | * | | | cis | 110.3 | 141.6 | 14.8 | -141.5 | 141.5 | -122.6 | 0 | 0 | 115.2 | S398 K399 | E60-S398 PolarHBondContact OE1-OG 3.4Å; E60-K399 VanDerWaalsContact CD-CE 3.49Å; E60-K399 WeakPolarHBondContact OE1-CD 3.43Å; E60-K399 WeakPolarHBondContact OE1-CE 3.34Å; E60-K399 IonicContact OE1-NZ 3.07Å; E60-K399 PolarHBondContact OE1-NZ 3.37Å; E60-K399 WeakPolarHBondContact OE2-CD 3.46Å; E60-K399 WeakPolarHBondContact OE2-CE 3.49Å; E60-K399 IonicContact OE2-NZ 3.64Å; E60-K399 PolarHBondContact OE2-NZ 3.37Å |
| 61 | P | 44.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -119 | 172.5 | -156.6 | 44 | -35.6 | 0 | 0 | 0 | 117.9 | | |
| 62 | K | 28.6 | Very low | 33 | Very low | 185 Ų | 185 | 139 Ų | 139 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -154.1 | 165.8 | 166.5 | -92.1 | -157.2 | 171.3 | -138.9 | 0 | 109.9 | | |
| 63 | E | 30.3 | Very low | 32.8 | Very low | 106 Ų | 106 | 134 Ų | 134 | 50% | 0.495 | 73% | 0.734 | S | S | . | * | | | cis | -174.4 | 137.1 | -27.7 | 169.3 | 175.9 | -173 | 0 | 0 | 108.6 | | |
| 64 | R | 34.7 | Very low | 32.7 | Very low | 231 Ų | 231 | 132.8 Ų | 132.8 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | 63.4 | 167.7 | 170 | -69.4 | 167.7 | -155.3 | -123.3 | -0.6 | 118.4 | | |
| 65 | G | 29.4 | Very low | 32.4 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | trans | -169.5 | -70.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 66 | K | 39.1 | Very low | 32 | Very low | 191 Ų | 191 | 136.4 Ų | 136.4 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | | | trans | 60.7 | 117.5 | 175.4 | -87.4 | -164.3 | 170 | -168.3 | 0 | 120.6 | | |
| 67 | L | 31.5 | Very low | 31.9 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | trans | 79.9 | 156.2 | 133.5 | -61 | 174.6 | 0 | 0 | 0 | 122.6 | | |
| 68 | L | 32 | Very low | 32.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 90% | 0.895 | 72% | 0.715 | S | S | * | * | | | trans | 75 | 147.4 | 168.9 | -55.8 | 176 | 0 | 0 | 0 | 117.1 | | |
| 69 | A | 27.8 | Very low | 32.3 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | cis | -162.6 | 165.9 | -21.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 70 | T | 28.7 | Very low | 32.4 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | -20.3 | 133.6 | 167.6 | -40.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 71 | Q | 31.2 | Very low | 32.3 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | | 166.8 | 171.6 | 119.9 | -91.2 | -163.7 | -38.5 | 0 | 0 | 112.4 | | |
| 72 | E | 24.8 | Very low | 31.9 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | | 178.2 | 134.1 | -53.6 | 172.3 | 166.9 | -165.9 | 0 | 0 | 111 | | |
| 73 | A | 26.8 | Very low | 32.8 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | 63.9 | 167.1 | 157 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 74 | A | 33 | Very low | 32.9 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 63.4 | 116.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 75 | E | 32.7 | Very low | 33 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | 94.5 | 155.7 | 39.4 | -74.2 | -153.8 | 150.6 | 0 | 0 | 115.4 | | |
| 76 | L | 34.4 | Very low | 33.4 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | 81 | 145 | 169.5 | -54.2 | 172.9 | 0 | 0 | 0 | 118.1 | | |
| 77 | S | 32.7 | Very low | 34.1 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 53% | 0.531 | 78% | 0.777 | S | S | . | * | | | cis | -171.8 | 159.1 | -21.8 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 78 | K | 36.5 | Very low | 34.9 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | trans | 69.7 | 97.9 | 146.4 | -63.9 | 147 | -154.5 | 143.8 | 0 | 122.3 | | |
| 79 | N | 37.9 | Very low | 35.1 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | | 66.5 | 159.3 | 113.5 | -62.7 | -24.8 | 0 | 0 | 0 | 124.5 | | |
| 80 | L | 32.8 | Very low | 35.7 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | trans | 80 | 136.7 | 172.5 | -48.9 | -179.7 | 0 | 0 | 0 | 115.4 | | |
| 81 | S | 28.3 | Very low | 36.3 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | cis | -153.9 | 159.9 | -8.4 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 82 | S | 37.4 | Very low | 37 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -95 | 167.7 | 166.5 | -49 | 0 | 0 | 0 | 0 | 111.7 | | |
| 83 | P | 46.2 | Very low | 37.5 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | | -146 | -172.9 | 85 | 41 | -24.5 | 0 | 0 | 0 | 114.7 | | |
| 84 | G | 32.8 | Very low | 37.7 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | -168.5 | 173.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 85 | S | 37.9 | Very low | 37.7 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | | | trans | -173.9 | 167.9 | 166.8 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 86 | Y | 37.8 | Very low | 38.1 | Very low | 222 Ų | 222 | 131.6 Ų | 131.6 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | | | trans | -101.5 | 164 | -175 | -78.2 | -105.6 | 0 | 0 | 0 | 113.8 | | |
| 87 | P | 53.7 | Low | 38.2 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -105 | 162.9 | 149 | 8.5 | 12.9 | 0 | 0 | 0 | 113.3 | | |
| 88 | P | 47.3 | Very low | 38.2 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -115.4 | 179.3 | -158 | 42.7 | -34.6 | 0 | 0 | 0 | 116.6 | | |
| 89 | A | 37.2 | Very low | 38.7 | Very low | 96 Ų | 96 | 129.4 Ų | 129.4 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | | | trans | -89.3 | 161.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 90 | A | 39.3 | Very low | 38.5 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -146.8 | 156.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 91 | N | 42.5 | Very low | 39.1 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | | | trans | -122.1 | 140.9 | -157.1 | -41.4 | -41.3 | 0 | 0 | 0 | 114 | | |
| 92 | K | 44.4 | Very low | 39.4 | Very low | 219 Ų | 219 | 126.4 Ų | 126.4 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | | | trans | 177.3 | 147 | 155.5 | -92.8 | 142.6 | -172.2 | 180 | 0 | 107.5 | | |
| 93 | G | 35.8 | Very low | 39.4 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | cis | 128.8 | 78.7 | -1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 94 | G | 31 | Very low | 39.1 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | 177.2 | 105 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 95 | M | 33.7 | Very low | 39.4 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | 53.6 | 140.4 | 145.6 | -69.5 | 166.9 | 63.1 | 0 | 0 | 123 | | |
| 96 | V | 41.2 | Very low | 39.4 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | | | trans | -84.4 | 143.4 | 173.9 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 97 | A | 35.1 | Very low | 39.2 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -144.2 | 104.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 98 | S | 32.5 | Very low | 38.4 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -82.9 | 132.1 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | H100 | S98-H100 PolarHBondContact O-N 3.41Š|
| 99 | P | 47.9 | Very low | 38.4 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | -75.5 | 107.7 | 174.2 | 29.4 | -32.5 | 0 | 0 | 0 | 110.9 | | |
| 100 | H | 32.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 133 Ų | 133 | 69% | 0.694 | 81% | 0.811 | S | S | * | * | | | trans | -79.6 | 130.1 | 174.4 | -175.8 | -78.1 | 0 | 0 | 0 | 111.3 | S98 S102 | S98-H100 PolarHBondContact O-N 3.41Å; H100-S102 PolarHBondContact CE1-OG 3.33Å; H100-S102 VanDerWaalsContact CE1-OG 3.23Å; H100-S102 PolarHBondContact ND1-N 3.05Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.36Å; H100-S102 VanDerWaalsContact O-N 3.12Å |
| 101 | P | 46.2 | Very low | 39.7 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -82.3 | 87.4 | 175.6 | 33.3 | -33.2 | 0 | 0 | 0 | 111.1 | | |
| 102 | S | 35.1 | Very low | 40.1 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | | | trans | -100.4 | 113 | 164.9 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | H100 | H100-S102 PolarHBondContact CE1-OG 3.33Å; H100-S102 VanDerWaalsContact CE1-OG 3.23Å; H100-S102 PolarHBondContact ND1-N 3.05Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.36Å; H100-S102 VanDerWaalsContact O-N 3.12Å |
| 103 | G | 36.3 | Very low | 40 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -79.7 | 145.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 104 | S | 40.5 | Very low | 41.1 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -120.8 | 113.2 | 155.5 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 105 | V | 39.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | | | trans | -87.3 | 116.2 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | F107 | V105-F107 HydrophobicContact CG1-CD2 3.6Å; V105-F107 HydrophobicContact CG1-CE2 3.61Å |
| 106 | L | 37.1 | Very low | 42.4 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -123.8 | 101.1 | 167.6 | -70.4 | 177.1 | 0 | 0 | 0 | 108.5 | | |
| 107 | F | 34.3 | Very low | 42.9 | Very low | 195 Ų | 195 | 129.9 Ų | 129.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -76.3 | 131 | 163.7 | -79.3 | -87 | 0 | 0 | 0 | 108.8 | V105 | V105-F107 HydrophobicContact CG1-CD2 3.6Å; V105-F107 HydrophobicContact CG1-CE2 3.61Å |
| 108 | T | 37.1 | Very low | 43.9 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -120.7 | 137.8 | 161.9 | 50.2 | 0 | 0 | 0 | 0 | 108.7 | E110 | T108-E110 PolarHBondContact O-N 3.36Š|
| 109 | D | 47 | Very low | 45.2 | Very low | 169 Ų | 169 | 141 Ų | 141 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -80 | 81.9 | -169.7 | -173.2 | 29.4 | 0 | 0 | 0 | 112.5 | | |
| 110 | E | 51.3 | Low | 45.9 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -168.3 | 127.1 | 147.4 | -112.4 | -171.4 | 160.9 | 0 | 0 | 110.1 | T108 V112 | T108-E110 PolarHBondContact O-N 3.36Å; E110-V112 PolarHBondContact O-N 3.27Å |
| 111 | G | 51.3 | Low | 46.9 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -96.6 | 85.6 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 112 | V | 51.7 | Low | 47 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -147.3 | 121.8 | 152.1 | -180 | 0 | 0 | 0 | 0 | 111.4 | E110 K114 | E110-V112 PolarHBondContact O-N 3.27Å; V112-K114 PolarHBondContact O-N 3.28Å |
| 113 | P | 41.8 | Very low | 48.3 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | -75.8 | 112.9 | 171.8 | 30 | -32.8 | 0 | 0 | 0 | 111.8 | C115 | P113-C115 PolarHBondContact O-N 2.69Å; P113-C115 VanDerWaalsContact O-N 3.1Å |
| 114 | K | 59.8 | Low | 49 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | -80.7 | 86.7 | -179.2 | -170.5 | 173.1 | -176.1 | 172.4 | 0 | 112.2 | V112 M116 | V112-K114 PolarHBondContact O-N 3.28Å; K114-M116 PolarHBondContact O-N 2.99Å; K114-M116 VanDerWaalsContact O-N 3.15Å |
| 115 | C | 41.8 | Very low | 49.8 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -59.7 | 113 | 177.8 | -72.4 | 0 | 0 | 0 | 0 | 113 | P113 S117 | P113-C115 PolarHBondContact O-N 2.69Å; P113-C115 VanDerWaalsContact O-N 3.1Å; C115-S117 PolarHBondContact O-N 3.21Å |
| 116 | M | 50.6 | Low | 50.3 | Low | 153 Ų | 153 | 151.4 Ų | 151.4 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | -83.5 | 101.9 | 171.7 | -67.9 | -89.3 | 74.5 | 0 | 0 | 110.2 | K114 R118 | K114-M116 PolarHBondContact O-N 2.99Å; K114-M116 VanDerWaalsContact O-N 3.15Å; M116-R118 PolarHBondContact O-N 3.33Å |
| 117 | S | 51.8 | Low | 50.7 | Low | 103 Ų | 103 | 153.5 Ų | 153.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 93.9 | -178.1 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | C115 K119 | C115-S117 PolarHBondContact O-N 3.21Å; S117-K119 PolarHBondContact O-N 3.15Å |
| 118 | R | 54.9 | Low | 51.1 | Low | 238 Ų | 238 | 151 Ų | 151 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -67.9 | 92.2 | 167.5 | -72.7 | -176.3 | 173 | -176.5 | -2.1 | 110.2 | M116 T120 | M116-R118 PolarHBondContact O-N 3.33Å; R118-T120 PolarHBondContact O-N 3.19Å; R118-T120 VanDerWaalsContact O-N 3.17Å |
| 119 | K | 61.3 | Low | 51.3 | Low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -71.7 | 101.1 | 169.6 | -69.7 | -173.3 | 177.4 | -175.8 | 0 | 110.1 | S117 | S117-K119 PolarHBondContact O-N 3.15Š|
| 120 | T | 61.6 | Low | 50.8 | Low | 121 Ų | 121 | 147.6 Ų | 147.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -74.7 | 117.7 | 161 | 46.9 | 0 | 0 | 0 | 0 | 108.7 | R118 V122 | R118-T120 PolarHBondContact O-N 3.19Å; R118-T120 VanDerWaalsContact O-N 3.17Å; T120-V122 PolarHBondContact O-N 3.1Å |
| 121 | L | 53.8 | Low | 50.4 | Low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -67.3 | 120.7 | 172.7 | -173.4 | 71.5 | 0 | 0 | 0 | 108.7 | | |
| 122 | V | 48.1 | Very low | 49.6 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | | | trans | -90 | 105.4 | 171.4 | 177.2 | 0 | 0 | 0 | 0 | 107.6 | T120 F124 | T120-V122 PolarHBondContact O-N 3.1Å; V122-F124 HydrophobicContact CG1-CD2 4.39Å; V122-F124 HydrophobicContact CG1-CE2 4.06Å; V122-F124 HydrophobicContact CG1-CZ 4.45Å |
| 123 | E | 62.3 | Low | 49.1 | Very low | 172 Ų | 172 | 155 Ų | 155 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -83.1 | 116.8 | 175.9 | -171.2 | 171.6 | 179.6 | 0 | 0 | 109.7 | | |
| 124 | F | 51.8 | Low | 49.1 | Very low | 167 Ų | 167 | 159 Ų | 159 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -83.7 | 131.3 | 174.3 | -76.1 | -94.6 | 0 | 0 | 0 | 109.7 | V122 Q126 | V122-F124 HydrophobicContact CG1-CD2 4.39Å; V122-F124 HydrophobicContact CG1-CE2 4.06Å; V122-F124 HydrophobicContact CG1-CZ 4.45Å; F124-Q126 PolarHBondContact O-N 3.37Å; F124-Q126 VanDerWaalsContact O-N 3.14Å |
| 125 | P | 55.9 | Low | 48.1 | Very low | 123 Ų | 123 | 159 Ų | 159 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | | | trans | -65.6 | 115.6 | -177.9 | 25.9 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 126 | Q | 51.4 | Low | 47.7 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73 | 144 | 177.3 | -62.9 | -175 | 2 | 0 | 0 | 110.9 | F124 V128 | F124-Q126 PolarHBondContact O-N 3.37Å; F124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-V128 PolarHBondContact O-N 2.97Å |
| 127 | K | 46 | Very low | 47.1 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76 | 123.1 | 179.8 | -65.6 | -175.6 | 179.4 | -178.3 | 0 | 110.2 | | |
| 128 | V | 42.3 | Very low | 46.2 | Very low | 144 Ų | 144 | 156.7 Ų | 156.7 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.6 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 110 | Q126 | Q126-V128 PolarHBondContact O-N 2.97Š|
| 129 | V | 41 | Very low | 45.2 | Very low | 131 Ų | 131 | 150.9 Ų | 150.9 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | trans | -107.5 | 132.9 | 168.3 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 130 | S | 36.8 | Very low | 43.8 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 139.2 | -177.9 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 131 | P | 41.7 | Very low | 42.3 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 132.1 | 178.2 | 30.4 | -34.2 | 0 | 0 | 0 | 112 | | |
| 132 | F | 36.4 | Very low | 41.2 | Very low | 208 Ų | 208 | 148.5 Ų | 148.5 | 91% | 0.912 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 157.5 | 174.2 | -120 | -99.1 | 0 | 0 | 0 | 112.2 | | |
| 133 | R | 39.8 | Very low | 40.4 | Very low | 207 Ų | 207 | 153.7 Ų | 153.7 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | | | trans | -115.1 | 119.6 | 178.1 | -175.3 | -177.3 | -178 | -78.7 | 2.4 | 109.6 | | |
| 134 | K | 41.2 | Very low | 39 | Very low | 201 Ų | 201 | 151.4 Ų | 151.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -69.3 | 166 | 178.2 | -80.6 | -162.8 | 172.4 | -164.2 | 0 | 113.2 | | |
| 135 | Q | 39.7 | Very low | 38 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | 107.8 | 119.2 | 172.4 | -170.5 | -180 | 19.2 | 0 | 0 | 112.9 | | |
| 136 | G | 33.7 | Very low | 36.8 | Very low | 70 Ų | 70 | 152.4 Ų | 152.4 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | cis | 156.7 | 160.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 137 | S | 37.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | 87.2 | 94.7 | 171.1 | -65.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 138 | D | 32.2 | Very low | 35.2 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | | 38.8 | 117.8 | 120.7 | -21.9 | -46.4 | 0 | 0 | 0 | 121.4 | | |
| 139 | S | 34.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | | 154.6 | 123.8 | 115.6 | -67.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 140 | E | 31.1 | Very low | 34.5 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | | | trans | 62.7 | 151.9 | 143.3 | -129 | -166.9 | 118.2 | 0 | 0 | 124.8 | | |
| 141 | A | 31.3 | Very low | 34.7 | Very low | 78 Ų | 78 | 148.5 Ų | 148.5 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | trans | 83.3 | 84.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 142 | L | 31.1 | Very low | 34.5 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | 54.1 | 103.3 | 110.8 | -163.8 | 98.5 | 0 | 0 | 0 | 120.3 | | |
| 143 | R | 30.9 | Very low | 34.7 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | | 161.6 | 128.9 | 114.5 | -85.1 | -160.9 | 87.7 | 146.7 | 6.1 | 115.8 | G145 | R143-G145 PolarHBondContact O-N 3.03Š|
| 144 | V | 33.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | 24.2 | 92.7 | 130.6 | -166 | 0 | 0 | 0 | 0 | 118.6 | | |
| 145 | G | 29.7 | Very low | 34.3 | Very low | 60 Ų | 60 | 133.6 Ų | 133.6 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | | | | 69.7 | 104.5 | 97.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | R143 | R143-G145 PolarHBondContact O-N 3.03Š|
| 146 | R | 30.6 | Very low | 34.1 | Very low | 251 Ų | 251 | 130.2 Ų | 130.2 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | 72.1 | 116.6 | 145.7 | -49.7 | 178.3 | 74.5 | -159.1 | 4.5 | 119.1 | | |
| 147 | K | 30.9 | Very low | 34.3 | Very low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | -155.3 | 157.8 | 150.6 | -152.9 | -167 | 173.3 | -174.6 | 0 | 112.3 | | |
| 148 | V | 33.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 132 Ų | 132 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | | | trans | 77.1 | 109.2 | 162.1 | -154.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 149 | T | 33.6 | Very low | 34.6 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 2.9 | 142 | 130.8 | -32.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 150 | S | 36 | Very low | 34.8 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -60.5 | 154.8 | 165.1 | -35.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 151 | P | 40.2 | Very low | 35.2 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | | -126.4 | 168.9 | 105.7 | 37.3 | -33.3 | 0 | 0 | 0 | 113.3 | | |
| 152 | S | 37.7 | Very low | 35.6 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -89.5 | 143.9 | -167.5 | -50.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 153 | S | 39.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | 54.6 | 128.6 | 147.5 | -44.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 154 | S | 37 | Very low | 36.1 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -170 | 160.2 | 45.1 | -48.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 155 | S | 35.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 77.4 | 134.5 | 147.4 | -56 | 0 | 0 | 0 | 0 | 122.2 | | |
| 156 | S | 36.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | 92.5 | 105.8 | 147.2 | -57.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 157 | S | 37.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 65.2 | 118.4 | 134.5 | 59.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 158 | S | 38.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 91 | 129.1 | 135.5 | -59.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 159 | S | 37.5 | Very low | 38.6 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | 66.9 | 110.3 | 141.7 | 54.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 160 | S | 38 | Very low | 38.8 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | | 92.5 | 159.8 | 124.8 | -57.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 161 | D | 41.2 | Very low | 38.9 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | 67.5 | 146.7 | 166.4 | -43.3 | -34.8 | 0 | 0 | 0 | 116.2 | | |
| 162 | S | 38.2 | Very low | 38.6 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | | | cis | -166.9 | -175.5 | -20.1 | -83.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 163 | E | 34.6 | Very low | 38.5 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | cis | -149 | -176.6 | -16.5 | 49.6 | -80.1 | 116.4 | 0 | 0 | 106.8 | | |
| 164 | S | 37.5 | Very low | 38.5 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | cis | -130 | -104.1 | 0.2 | 176.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 165 | D | 45.9 | Very low | 38.7 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | cis | -170.8 | 149.6 | -17.9 | -138.9 | 37.9 | 0 | 0 | 0 | 108.3 | | |
| 166 | D | 38.8 | Very low | 38.4 | Very low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | | -138.3 | -148.9 | -61.9 | -154.3 | -85.5 | 0 | 0 | 0 | 109.7 | | |
| 167 | E | 51.2 | Low | 38.2 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | 89.8 | 104.4 | 177.2 | -59.1 | -64.1 | 125.1 | 0 | 0 | 118.7 | | |
| 168 | A | 39.7 | Very low | 38 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | | 46.9 | 140.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 169 | D | 35.1 | Very low | 38.2 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | cis | -164.8 | 177.5 | -7 | -176 | 23.6 | 0 | 0 | 0 | 108.9 | | |
| 170 | V | 37.6 | Very low | 38.2 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | | | trans | 52.7 | 111.2 | 169.6 | -71.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 171 | S | 38.3 | Very low | 37.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | | 80 | 110.4 | 66 | -68.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 172 | E | 34 | Very low | 37.7 | Very low | 195 Ų | 195 | 142 Ų | 142 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | | 172.4 | 156.8 | 112.3 | -170.8 | 157.6 | -168.8 | 0 | 0 | 111.3 | | |
| 173 | V | 36.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -109.4 | 141.6 | -173.8 | 155.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 174 | T | 38.6 | Very low | 37.3 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -67.6 | 147 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 114 | | |
| 175 | P | 42.1 | Very low | 37.2 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -126.9 | 104.9 | 157.5 | 34.6 | -21.4 | 0 | 0 | 0 | 114.5 | | |
| 176 | R | 29.6 | Very low | 36.6 | Very low | 230 Ų | 230 | 146 Ų | 146 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | | 46.6 | 107.5 | 118.6 | -163.4 | -176.9 | -167.4 | -157.7 | 4.7 | 120.5 | | |
| 177 | V | 31.6 | Very low | 36.4 | Very low | 130 Ų | 130 | 149 Ų | 149 | 79% | 0.788 | 83% | 0.825 | S | S | * | * | | | trans | 26.8 | 126.5 | 132.1 | -159 | 0 | 0 | 0 | 0 | 119.9 | | |
| 178 | V | 34.4 | Very low | 36.1 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | | | | 165.7 | 121.2 | 121.2 | 157.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 179 | S | 42.6 | Very low | 35.5 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 173.4 | 148.9 | 136.6 | 41.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 180 | K | 37.5 | Very low | 35.1 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | | | cis | 136.6 | 80.8 | -7.5 | -178.5 | 176.6 | -176.6 | 178.8 | 0 | 107.6 | | |
| 181 | G | 32 | Very low | 34.8 | Very low | 76 Ų | 76 | 146.6 Ų | 146.6 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -145.7 | 135.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 182 | R | 35.9 | Very low | 34.5 | Very low | 258 Ų | 258 | 152.8 Ų | 152.8 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | | | trans | -63.3 | 154.2 | 176.5 | -55.5 | 150 | -175.9 | -96 | 3.7 | 109.9 | | |
| 183 | G | 30.6 | Very low | 34.3 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | cis | 131.4 | 133.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 184 | G | 33 | Very low | 34.3 | Very low | 80 Ų | 80 | 147.9 Ų | 147.9 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | 147.4 | 110.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 185 | L | 36.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 145.4 | 163.3 | -66.2 | 162.4 | 0 | 0 | 0 | 109.1 | | |
| 186 | R | 34.1 | Very low | 33.4 | Very low | 252 Ų | 252 | 149.9 Ų | 149.9 | 95% | 0.951 | 82% | 0.821 | S | S | * | * | | | | -170.7 | 132.9 | 121.8 | -78.9 | -128.7 | 178.7 | -177.5 | 0 | 112.5 | | |
| 187 | K | 33.5 | Very low | 33.5 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | | | trans | -91.7 | 175.3 | 156.2 | -106.1 | -177.1 | -179.3 | -174.1 | 0 | 108.1 | | |
| 188 | P | 45.6 | Very low | 33.5 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 61% | 0.61 | 82% | 0.82 | S | S | * | * | | | cis | -138.8 | -178.9 | -10 | 36.1 | -15.8 | 0 | 0 | 0 | 115.6 | | |
| 189 | E | 26.8 | Very low | 34.3 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | | | trans | 68.7 | 164.4 | 136 | -86.1 | 172 | 107.5 | 0 | 0 | 125.6 | | |
| 190 | A | 25.9 | Very low | 33.8 | Very low | 87 Ų | 87 | 154.4 Ų | 154.4 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | | | trans | 72.7 | 76.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 191 | S | 32.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 150 Ų | 150 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | | 18.6 | 132 | 127.6 | 61.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 192 | R | 32.8 | Very low | 33.5 | Very low | 243 Ų | 243 | 153.3 Ų | 153.3 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | | | | -164 | 168.2 | 118.8 | -107.1 | 159.2 | -160.6 | -131.7 | 2.7 | 114.4 | | |
| 193 | S | 29.1 | Very low | 33.7 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | -43.3 | 149.9 | -173.9 | 46 | 0 | 0 | 0 | 0 | 118.6 | | |
| 194 | S | 35.6 | Very low | 33.8 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | trans | -43.9 | 144.7 | 153.4 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 195 | E | 29.4 | Very low | 34 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -122.3 | 148.4 | 162.8 | -168.4 | 171.6 | 135.2 | 0 | 0 | 110.5 | | |
| 196 | S | 31.7 | Very low | 34 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | trans | -101.2 | 133.7 | -172.2 | 56.2 | 0 | 0 | 0 | 0 | 113 | | |
| 197 | R | 31.9 | Very low | 34 | Very low | 244 Ų | 244 | 146.1 Ų | 146.1 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -154.7 | 138.5 | 153.7 | -135.3 | 167.2 | -177.8 | 145.9 | 0 | 114.5 | | |
| 198 | A | 31.9 | Very low | 34.2 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | -134.8 | 179.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 199 | P | 52 | Low | 33.6 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -120.3 | -178.7 | -32.9 | 34.4 | -19.8 | 0 | 0 | 0 | 111.1 | | |
| 200 | R | 31 | Very low | 33.7 | Very low | 256 Ų | 256 | 143.6 Ų | 143.6 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | | | trans | -138.9 | 155.9 | 153.8 | -91.3 | -160.8 | 162.7 | -152.5 | -6.9 | 111.8 | | |
| 201 | V | 32.1 | Very low | 34 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | | | trans | -121.9 | 145.1 | -166.8 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V203 | V201-V203 HydrophobicContact CG1-CG1 3.83Š|
| 202 | T | 32.3 | Very low | 33.9 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | | | trans | -134 | 155.5 | 152.1 | 44.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 203 | V | 39.8 | Very low | 34 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -139.4 | 146.7 | -168 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | V201 | V201-V203 HydrophobicContact CG1-CG1 3.83Š|
| 204 | S | 33.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -167.3 | 170.8 | 154.6 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 205 | A | 35.8 | Very low | 34.4 | Very low | 93 Ų | 93 | 150.4 Ų | 150.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | -166.4 | 122.8 | -98.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 206 | K | 36.3 | Very low | 34.4 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | 178.4 | 127.3 | 158.9 | -99.9 | 160.9 | -179.3 | -178.2 | 0 | 106.4 | | |
| 207 | E | 33.6 | Very low | 34.4 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | | 56.4 | 133 | 75.1 | -64.3 | -148.8 | -7.1 | 0 | 0 | 113.5 | | |
| 208 | K | 38.3 | Very low | 34.6 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | cis | -170.7 | 156.4 | 3.8 | -114.5 | 177.5 | -171.1 | 142.5 | 0 | 107.8 | | |
| 209 | T | 33.7 | Very low | 34.5 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | | | cis | -161.5 | 160.1 | -8.2 | -17.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 210 | L | 29.2 | Very low | 33.5 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | trans | 61.1 | 122.3 | 152.8 | -116.3 | 51 | 0 | 0 | 0 | 119.3 | | |
| 211 | L | 31.9 | Very low | 34.6 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | | 61.9 | 135.4 | 77.2 | -115.5 | 73.7 | 0 | 0 | 0 | 113.2 | | |
| 212 | Q | 29.1 | Very low | 34.3 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | cis | -149.1 | 171.3 | 26.6 | -68.5 | -177.9 | -24.5 | 0 | 0 | 114.7 | | |
| 213 | K | 35.1 | Very low | 34.5 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -95 | 167.1 | 155.7 | -129.6 | 177.9 | -179.3 | 179.5 | 0 | 107.4 | | |
| 214 | P | 46.7 | Very low | 35.1 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | cis | -151.3 | -167.6 | 15.9 | 40.3 | -16.2 | 0 | 0 | 0 | 117.5 | | |
| 215 | H | 27.1 | Very low | 35 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | trans | 76.7 | 160.3 | 141.2 | -133.9 | -91.4 | 0 | 0 | 0 | 123.1 | | |
| 216 | A | 30.4 | Very low | 35.1 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | | | trans | 65.5 | 124.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 217 | D | 30.6 | Very low | 35.9 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | cis | 85.4 | 155.9 | 24.8 | -156.9 | 15 | 0 | 0 | 0 | 115 | | |
| 218 | V | 35.8 | Very low | 36 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 84.7 | 96.6 | 175.1 | -172.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 219 | T | 30.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | | 67.7 | 134 | 129.5 | -54 | 0 | 0 | 0 | 0 | 121.7 | | |
| 220 | G | 30.9 | Very low | 36.1 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | trans | -92.4 | -140.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 221 | P | 54.1 | Low | 36.1 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | cis | -126.8 | 164.7 | -13.4 | 40.8 | -27.2 | 0 | 0 | 0 | 113.4 | | |
| 222 | E | 26.9 | Very low | 36.8 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | trans | -151.3 | 152.2 | 161.2 | -133.8 | 179.7 | 132.1 | 0 | 0 | 116 | | |
| 223 | K | 34.7 | Very low | 37.5 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -160.4 | 167.5 | 174.4 | -67.2 | -176.3 | -178 | 173.9 | 0 | 106.1 | | |
| 224 | P | 52.3 | Low | 37.3 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | | | cis | -129.1 | -168.4 | -2.7 | 40.5 | -24.3 | 0 | 0 | 0 | 112.4 | | |
| 225 | H | 31.9 | Very low | 37 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | | -162.9 | 144.5 | 115.1 | -109.1 | -79.5 | 0 | 0 | 0 | 113.3 | | |
| 226 | Q | 39.3 | Very low | 38.1 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | | | trans | -99 | 180 | 174.6 | -84.3 | -92.3 | -15 | 0 | 0 | 108.2 | | |
| 227 | P | 52.4 | Low | 38 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | | | cis | -160.1 | -172.2 | 33.2 | 43.2 | -19.2 | 0 | 0 | 0 | 120.6 | | |
| 228 | K | 34.8 | Very low | 38.3 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | 93.6 | 137.8 | 157.4 | -62.6 | 153.5 | -176 | 168 | 0 | 115.8 | | |
| 229 | K | 40 | Very low | 37.9 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | cis | -151.8 | 143.9 | 4.9 | -131.2 | 171.6 | -177.5 | -175.9 | 0 | 113.1 | | |
| 230 | K | 34.2 | Very low | 38.2 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -7.2 | 151.3 | 160.3 | -56 | -174.6 | 177.1 | -170.3 | 0 | 118.7 | | |
| 231 | G | 30.4 | Very low | 38.3 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | cis | -146.9 | -162.7 | 31.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 232 | P | 46.2 | Very low | 37.5 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -102.5 | 161.6 | -146.5 | 38.3 | -37.6 | 0 | 0 | 0 | 117.1 | | |
| 233 | P | 43.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | | | trans | -91.3 | 164 | 169.4 | 37.9 | -35 | 0 | 0 | 0 | 113.1 | | |
| 234 | A | 30.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -142.5 | 140.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 235 | K | 40.2 | Very low | 37.3 | Very low | 209 Ų | 209 | 147.7 Ų | 147.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -159 | 163.9 | 167.8 | -75.5 | -167.3 | 179 | -173.8 | 0 | 106.8 | | |
| 236 | P | 50.4 | Low | 37.5 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | cis | -119.6 | -175.8 | -11.1 | 40.6 | -27.4 | 0 | 0 | 0 | 112.1 | | |
| 237 | S | 28.9 | Very low | 36.9 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -153.1 | 140.9 | 155.9 | 57.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 238 | E | 36.2 | Very low | 36.1 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 96% | 0.958 | 81% | 0.809 | S | S | * | * | | | trans | -75.4 | 155 | 174.2 | -68.7 | 168.5 | 98.1 | 0 | 0 | 111.6 | | |
| 239 | G | 27.5 | Very low | 36.4 | Very low | 82 Ų | 82 | 144.6 Ų | 144.6 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -166.2 | 97.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 240 | R | 38.3 | Very low | 36.2 | Very low | 195 Ų | 195 | 141 Ų | 141 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | -89 | 122.8 | -176.6 | 169.9 | -164.7 | 173 | -80.8 | -3 | 110.5 | | |
| 241 | E | 31.7 | Very low | 36.5 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -175.5 | 168.2 | 131.6 | -106.1 | 168.9 | -169.5 | 0 | 0 | 114.7 | | |
| 242 | D | 36.8 | Very low | 37.2 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -81.5 | 134.6 | -160.4 | -64.6 | -99.7 | 0 | 0 | 0 | 115.9 | | |
| 243 | A | 34.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 146 Ų | 146 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -141.1 | 95.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | P245 | A243-P245 WeakPolarHBondContact O-CD 2.84Š|
| 244 | R | 42.1 | Very low | 37.1 | Very low | 215 Ų | 215 | 143 Ų | 143 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | | | trans | -58.7 | 119.2 | 177.4 | 174.2 | -169.3 | -179 | -169.1 | 4.7 | 112.5 | K246 | R244-K246 PolarHBondContact O-N 2.93Š|
| 245 | P | 33.7 | Very low | 37.6 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -70.9 | 126 | 166.7 | 28.9 | -32.3 | 0 | 0 | 0 | 110.4 | A243 T247 | A243-P245 WeakPolarHBondContact O-CD 2.84Å; P245-T247 PolarHBondContact O-N 3.17Å |
| 246 | K | 35.5 | Very low | 38 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -88 | 99.7 | 170.5 | -70.9 | 178.7 | -179.5 | 174.7 | 0 | 109.4 | R244 T248 | R244-K246 PolarHBondContact O-N 2.93Å; K246-T248 PolarHBondContact O-N 3.12Å; K246-T248 VanDerWaalsContact O-N 3.07Å |
| 247 | T | 27.9 | Very low | 38 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | -77.2 | 89.5 | 167.8 | -52 | 0 | 0 | 0 | 0 | 109.6 | P245 V249 | P245-T247 PolarHBondContact O-N 3.17Å; T247-V249 HydrophobicContact CG2-CG2 4.28Å; T247-V249 PolarHBondContact O-N 3.27Å |
| 248 | T | 34.9 | Very low | 39.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | | | trans | -73.2 | 108 | 169.4 | 30 | 0 | 0 | 0 | 0 | 110.3 | K246 | K246-T248 PolarHBondContact O-N 3.12Å; K246-T248 VanDerWaalsContact O-N 3.07Å |
| 249 | V | 41.3 | Very low | 40 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 129.1 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | T247 R251 | T247-V249 HydrophobicContact CG2-CG2 4.28Å; T247-V249 PolarHBondContact O-N 3.27Å; V249-R251 PolarHBondContact O-N 3.33Å |
| 250 | P | 35.9 | Very low | 41.3 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 123.7 | 168.6 | 29.7 | -31.9 | 0 | 0 | 0 | 109.4 | S252 | P250-S252 PolarHBondContact O-N 3.5Š|
| 251 | R | 39 | Very low | 42 | Very low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.947 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.2 | 171.1 | -94 | -178.8 | 165.2 | 176.4 | -6.5 | 109.8 | V249 | V249-R251 PolarHBondContact O-N 3.33Š|
| 252 | S | 46.7 | Very low | 43.2 | Very low | 75 Ų | 75 | 130 Ų | 130 | 52% | 0.524 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 131.4 | 162.7 | 30.5 | 0 | 0 | 0 | 0 | 110.3 | P250 A254 D255 | P250-S252 PolarHBondContact O-N 3.5Å; S252-A254 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-OD2 3.41Å |
| 253 | Q | 44.7 | Very low | 43.9 | Very low | 179 Ų | 179 | 128.6 Ų | 128.6 | 84% | 0.836 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -19 | -179.3 | -162.8 | 168.5 | 2.8 | 0 | 0 | 113 | D255 | Q253-D255 PolarHBondContact O-N 3.3Š|
| 254 | A | 41.5 | Very low | 44.9 | Very low | 66 Ų | 66 | 131 Ų | 131 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.5 | -28.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | S252 E256 E257 F258 | S252-A254 PolarHBondContact O-N 3.07Å; A254-E256 PolarHBondContact O-N 3.21Å; A254-E257 PolarHBondContact O-N 3.27Å; A254-F258 PolarHBondContact O-N 3.33Å |
| 255 | D | 41.8 | Very low | 45.5 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 52% | 0.524 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.2 | -31.1 | -178 | -68.8 | -64.3 | 0 | 0 | 0 | 112.5 | S252 Q253 L259 | S252-D255 PolarHBondContact OG-OD2 3.41Å; Q253-D255 PolarHBondContact O-N 3.3Å; D255-L259 VanDerWaalsContact O-CD1 3.25Å; D255-L259 WeakPolarHBondContact O-CD1 3.35Å; D255-L259 PolarHBondContact O-N 3.38Å; D255-L259 VanDerWaalsContact O-N 3.16Å |
| 256 | E | 49.3 | Very low | 46.7 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 58% | 0.575 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -32.2 | -178.1 | -152.9 | -170.9 | 119.3 | 0 | 0 | 112.5 | A254 K260 | A254-E256 PolarHBondContact O-N 3.21Å; E256-K260 WeakPolarHBondContact O-CD 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.26Å; E256-K260 WeakPolarHBondContact OE1-CE 3.26Å; E256-K260 IonicContact OE1-NZ 2.92Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å |
| 257 | E | 49.8 | Very low | 47.7 | Very low | 141 Ų | 141 | 125.3 Ų | 125.3 | 66% | 0.659 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.3 | -39.6 | 176.9 | -61.8 | -167.1 | 142.4 | 0 | 0 | 111.5 | A254 L259 K260 Q261 | A254-E257 PolarHBondContact O-N 3.27Å; E257-L259 PolarHBondContact O-N 3.45Å; E257-K260 PolarHBondContact O-N 3.39Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-Q261 PolarHBondContact O-N 2.98Å |
| 258 | F | 51 | Low | 48.9 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.2 | -42 | 175.3 | -165.4 | -102.5 | 0 | 0 | 0 | 111.7 | A254 K260 Q261 S262 | A254-F258 PolarHBondContact O-N 3.33Å; F258-K260 PolarHBondContact O-N 3.26Å; F258-Q261 PolarHBondContact O-N 3.42Å; F258-S262 PolarHBondContact O-N 3.18Å |
| 259 | L | 55.5 | Low | 49.7 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 59% | 0.592 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60 | -45 | 171.4 | -97.4 | 81.3 | 0 | 0 | 0 | 111.8 | D255 E257 Q261 S262 L263 | D255-L259 VanDerWaalsContact O-CD1 3.25Å; D255-L259 WeakPolarHBondContact O-CD1 3.35Å; D255-L259 PolarHBondContact O-N 3.38Å; D255-L259 VanDerWaalsContact O-N 3.16Å; E257-L259 PolarHBondContact O-N 3.45Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-N 2.78Å; L259-S262 PolarHBondContact O-OG 3.45Å; L259-L263 PolarHBondContact O-N 3.47Å |
| 260 | K | 55.5 | Low | 50.6 | Low | 125 Ų | 125 | 124.7 Ų | 124.7 | 54% | 0.543 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.7 | -33.4 | 179.9 | -78.2 | 165.1 | 173.2 | 166.7 | 0 | 113.4 | E256 E257 F258 | E256-K260 WeakPolarHBondContact O-CD 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.26Å; E256-K260 WeakPolarHBondContact OE1-CE 3.26Å; E256-K260 IonicContact OE1-NZ 2.92Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å; E257-K260 PolarHBondContact O-N 3.39Å; E257-K260 VanDerWaalsContact O-N 3.12Å; F258-K260 PolarHBondContact O-N 3.26Å |
| 261 | Q | 53.4 | Low | 51.4 | Low | 139 Ų | 139 | 122.6 Ų | 122.6 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69.4 | -48.5 | 170.4 | -74.4 | -176 | -50 | 0 | 0 | 111.6 | E257 F258 L259 L263 K264 E265 | E257-Q261 PolarHBondContact O-N 2.98Å; F258-Q261 PolarHBondContact O-N 3.42Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.07Å; Q261-L263 PolarHBondContact O-N 2.89Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 3.16Å; Q261-K264 VanDerWaalsContact O-N 3.08Å; Q261-E265 PolarHBondContact O-N 3.45Å |
| 262 | S | 55.2 | Low | 51.9 | Low | 32 Ų | 32 | 117.8 Ų | 117.8 | 22% | 0.224 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -60.6 | -26.1 | -179.5 | 79.6 | 0 | 0 | 0 | 0 | 113.9 | F258 L259 K266 | F258-S262 PolarHBondContact O-N 3.18Å; L259-S262 PolarHBondContact O-N 2.78Å; L259-S262 PolarHBondContact O-OG 3.45Å; S262-K266 WeakPolarHBondContact O-CD 3.32Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 2.96Å; S262-K266 VanDerWaalsContact O-N 3.15Å |
| 263 | L | 52.5 | Low | 52.3 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.7 | -41.2 | 177.1 | -150.4 | 164.2 | 0 | 0 | 0 | 111.1 | L259 Q261 K266 Q267 | L259-L263 PolarHBondContact O-N 3.47Å; Q261-L263 PolarHBondContact O-N 2.89Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; L263-K266 PolarHBondContact O-N 2.9Å; L263-Q267 PolarHBondContact O-N 3.04Å |
| 264 | K | 56.3 | Low | 52.5 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.3 | -39.6 | 173.2 | -75.6 | -176.4 | 173.1 | -178.6 | 0 | 112.5 | Q261 Q267 L268 | Q261-K264 PolarHBondContact O-N 3.16Å; Q261-K264 VanDerWaalsContact O-N 3.08Å; K264-Q267 PolarHBondContact O-N 3.29Å; K264-L268 WeakPolarHBondContact O-CG 3.44Å; K264-L268 PolarHBondContact O-N 2.88Å |
| 265 | E | 54.8 | Low | 52.9 | Low | 124 Ų | 124 | 119.3 Ų | 119.3 | 58% | 0.579 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.5 | -46.7 | 175.8 | -170.5 | -172.7 | 165.2 | 0 | 0 | 111.4 | Q261 Q267 L268 Q269 | Q261-E265 PolarHBondContact O-N 3.45Å; E265-Q267 PolarHBondContact O-N 3.41Å; E265-L268 PolarHBondContact O-N 2.9Å; E265-Q269 WeakPolarHBondContact O-CB 3.22Å; E265-Q269 PolarHBondContact O-N 3.19Å |
| 266 | K | 57.9 | Low | 53.2 | Low | 136 Ų | 136 | 120.6 Ų | 120.6 | 59% | 0.591 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62 | -40.7 | 175.6 | -75 | 169.1 | -177.3 | 169.7 | 0 | 112.7 | S262 L263 L268 Q269 E270 | S262-K266 WeakPolarHBondContact O-CD 3.32Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 2.96Å; S262-K266 VanDerWaalsContact O-N 3.15Å; L263-K266 PolarHBondContact O-N 2.9Å; K266-L268 VanDerWaalsContact C-N 3.33Å; K266-L268 PolarHBondContact O-N 3.38Å; K266-Q269 PolarHBondContact O-N 3.08Å; K266-E270 WeakPolarHBondContact O-CB 3.31Å; K266-E270 PolarHBondContact O-N 3.06Å |
| 267 | Q | 56.1 | Low | 53.3 | Low | 122 Ų | 122 | 120.2 Ų | 120.2 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.9 | -39.5 | 176.4 | -170.6 | 176.3 | 33.9 | 0 | 0 | 112.2 | L263 K264 E265 T271 | L263-Q267 PolarHBondContact O-N 3.04Å; K264-Q267 PolarHBondContact O-N 3.29Å; E265-Q267 PolarHBondContact O-N 3.41Å; Q267-T271 WeakPolarHBondContact O-CB 3.47Å; Q267-T271 PolarHBondContact O-N 2.74Å; Q267-T271 PolarHBondContact O-OG1 3.14Å |
| 268 | L | 53.6 | Low | 53.1 | Low | 109 Ų | 109 | 119.7 Ų | 119.7 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.1 | -45.4 | 173 | -69.5 | 172.2 | 0 | 0 | 0 | 111.2 | K264 E265 K266 E270 T271 F272 | K264-L268 WeakPolarHBondContact O-CG 3.44Å; K264-L268 PolarHBondContact O-N 2.88Å; E265-L268 PolarHBondContact O-N 2.9Å; K266-L268 VanDerWaalsContact C-N 3.33Å; K266-L268 PolarHBondContact O-N 3.38Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.48Å; L268-T271 WeakPolarHBondContact O-CB 3.37Å; L268-T271 PolarHBondContact O-N 3.11Å; L268-T271 VanDerWaalsContact O-N 3.16Å; L268-F272 WeakPolarHBondContact O-CD2 3.47Å; L268-F272 PolarHBondContact O-N 3.19Å |
| 269 | Q | 52.3 | Low | 53.3 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.8 | -38.2 | 179.7 | -163.3 | 174.4 | 85.8 | 0 | 0 | 112.4 | E265 K266 F272 R273 | E265-Q269 WeakPolarHBondContact O-CB 3.22Å; E265-Q269 PolarHBondContact O-N 3.19Å; K266-Q269 PolarHBondContact O-N 3.08Å; Q269-F272 PolarHBondContact O-N 2.81Å; Q269-R273 VanDerWaalsContact O-CG 3.32Å; Q269-R273 WeakPolarHBondContact O-CG 3.41Å; Q269-R273 PolarHBondContact O-N 3.35Å |
| 270 | E | 58.8 | Low | 52.6 | Low | 130 Ų | 130 | 123.8 Ų | 123.8 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.5 | -39.5 | 172.5 | -173.9 | 168.3 | -150.1 | 0 | 0 | 112.1 | K266 L268 F272 R273 L274 | K266-E270 WeakPolarHBondContact O-CB 3.31Å; K266-E270 PolarHBondContact O-N 3.06Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.48Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 2.78Å; E270-R273 WeakPolarHBondContact O-CB 3.09Å; E270-R273 PolarHBondContact O-N 3Å; E270-L274 PolarHBondContact O-N 3.06Å |
| 271 | T | 54.7 | Low | 52.3 | Low | 71 Ų | 71 | 122.3 Ų | 122.3 | 44% | 0.436 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.5 | -39.5 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | Q267 L268 N275 | Q267-T271 WeakPolarHBondContact O-CB 3.47Å; Q267-T271 PolarHBondContact O-N 2.74Å; Q267-T271 PolarHBondContact O-OG1 3.14Å; L268-T271 WeakPolarHBondContact O-CB 3.37Å; L268-T271 PolarHBondContact O-N 3.11Å; L268-T271 VanDerWaalsContact O-N 3.16Å; T271-N275 PolarHBondContact O-N 3.03Å; T271-N275 PolarHBondContact O-ND2 2.83Å |
| 272 | F | 48.7 | Very low | 52.1 | Low | 151 Ų | 151 | 124.7 Ų | 124.7 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.3 | -36.9 | 173.9 | -75.5 | -64.2 | 0 | 0 | 0 | 112.8 | L268 Q269 E270 N275 E276 | L268-F272 WeakPolarHBondContact O-CD2 3.47Å; L268-F272 PolarHBondContact O-N 3.19Å; Q269-F272 PolarHBondContact O-N 2.81Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 2.78Å; F272-N275 PolarHBondContact O-N 3.44Å; F272-E276 PolarHBondContact O-N 3.21Å |
| 273 | R | 54 | Low | 51.4 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.9 | -43.5 | 174.3 | -74.5 | -72.7 | -168.8 | -178.2 | 3 | 112.9 | Q269 E270 N275 E276 I277 | Q269-R273 VanDerWaalsContact O-CG 3.32Å; Q269-R273 WeakPolarHBondContact O-CG 3.41Å; Q269-R273 PolarHBondContact O-N 3.35Å; E270-R273 WeakPolarHBondContact O-CB 3.09Å; E270-R273 PolarHBondContact O-N 3Å; R273-N275 VanDerWaalsContact C-N 3.33Å; R273-N275 PolarHBondContact O-N 3.46Å; R273-E276 IonicContact NH1-OE2 3.38Å; R273-E276 WeakPolarHBondContact O-CB 3.3Å; R273-E276 PolarHBondContact O-N 3.16Å; R273-I277 PolarHBondContact O-N 3Å |
| 274 | L | 49.3 | Very low | 50.8 | Low | 104 Ų | 104 | 132.6 Ų | 132.6 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.7 | -41 | 177.8 | -82.3 | 158.6 | 0 | 0 | 0 | 112.1 | E270 E276 I277 D278 | E270-L274 PolarHBondContact O-N 3.06Å; L274-E276 PolarHBondContact O-N 3.5Å; L274-I277 PolarHBondContact O-N 3.22Å; L274-D278 PolarHBondContact O-N 3.45Å |
| 275 | N | 50.8 | Low | 49.6 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 47% | 0.465 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.9 | -11.1 | 177.4 | -81.3 | -85.6 | 0 | 0 | 0 | 114.9 | T271 F272 R273 | T271-N275 PolarHBondContact O-N 3.03Å; T271-N275 PolarHBondContact O-ND2 2.83Å; F272-N275 PolarHBondContact O-N 3.44Å; R273-N275 VanDerWaalsContact C-N 3.33Å; R273-N275 PolarHBondContact O-N 3.46Å |
| 276 | E | 48.2 | Very low | 48.7 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85 | -43.6 | 173.7 | -168.6 | 170.5 | -145.6 | 0 | 0 | 110.5 | F272 R273 L274 K279 | F272-E276 PolarHBondContact O-N 3.21Å; R273-E276 IonicContact NH1-OE2 3.38Å; R273-E276 WeakPolarHBondContact O-CB 3.3Å; R273-E276 PolarHBondContact O-N 3.16Å; L274-E276 PolarHBondContact O-N 3.5Å; E276-K279 PolarHBondContact O-N 3.03Å |
| 277 | I | 50.3 | Low | 47.5 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 59% | 0.59 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.9 | -41.1 | -175.7 | -60 | 164.2 | 0 | 0 | 0 | 112 | R273 L274 K279 E280 | R273-I277 PolarHBondContact O-N 3Å; L274-I277 PolarHBondContact O-N 3.22Å; I277-K279 PolarHBondContact O-N 3.42Å; I277-E280 PolarHBondContact O-N 3.42Å |
| 278 | D | 46.6 | Very low | 46.7 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -5.8 | 178.5 | -86.7 | -18.8 | 0 | 0 | 0 | 114.2 | L274 | L274-D278 PolarHBondContact O-N 3.45Š|
| 279 | K | 54.4 | Low | 45.7 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 73% | 0.73 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -7.4 | -178.9 | -65.7 | -178.6 | -176.6 | 172.1 | 0 | 114.5 | E276 I277 S281 | E276-K279 PolarHBondContact O-N 3.03Å; I277-K279 PolarHBondContact O-N 3.42Å; K279-S281 VanDerWaalsContact C-N 3.34Å |
| 280 | E | 41.2 | Very low | 44.9 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -85.6 | -6.5 | 176.6 | -145.1 | -172.7 | 146.5 | 0 | 0 | 113.2 | I277 Q282 | I277-E280 PolarHBondContact O-N 3.42Å; E280-Q282 PolarHBondContact O-N 2.94Å |
| 281 | S | 49.9 | Very low | 43.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | | | trans | -98.7 | 31.2 | -172.1 | 56.8 | 0 | 0 | 0 | 0 | 115.5 | K279 | K279-S281 VanDerWaalsContact C-N 3.34Š|
| 282 | Q | 48.5 | Very low | 43.5 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | | | trans | -122.5 | 101 | 164.3 | -71.8 | -162 | -3.2 | 0 | 0 | 112.3 | E280 | E280-Q282 PolarHBondContact O-N 2.94Š|
| 283 | K | 40.2 | Very low | 42.7 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 85% | 0.852 | 73% | 0.73 | S | S | * | * | | | trans | -104.8 | 129 | 175.3 | -157.4 | 173 | -169.4 | 174 | 0 | 109.5 | | |
| 284 | P | 40.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | | | trans | -68.1 | 141.3 | -177.9 | 27.7 | -34.6 | 0 | 0 | 0 | 111.5 | | |
| 285 | F | 31.3 | Very low | 41 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -82.2 | 127.5 | 179.5 | -129.5 | -88.1 | 0 | 0 | 0 | 111.3 | V287 | F285-V287 PolarHBondContact O-N 2.83Š|
| 286 | E | 35.6 | Very low | 40.3 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -79.5 | 96.2 | -178.6 | -171.8 | -172 | 158.7 | 0 | 0 | 110.9 | K288 | E286-K288 WeakPolarHBondContact OE1-CE 3.18Å; E286-K288 IonicContact OE1-NZ 2.6Å; E286-K288 PolarHBondContact OE1-NZ 2.91Å |
| 287 | V | 33.2 | Very low | 39.5 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | | | trans | -97.2 | 112.3 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | F285 | F285-V287 PolarHBondContact O-N 2.83Š|
| 288 | K | 38 | Very low | 38.6 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 70% | 0.696 | 81% | 0.805 | S | S | * | * | | | trans | -81.6 | 124.2 | 175.9 | -61.8 | -166.3 | 178.2 | -171.2 | 0 | 110.9 | E286 | E286-K288 WeakPolarHBondContact OE1-CE 3.18Å; E286-K288 IonicContact OE1-NZ 2.6Å; E286-K288 PolarHBondContact OE1-NZ 2.91Å |
| 289 | G | 32.3 | Very low | 37.9 | Very low | 77 Ų | 77 | 146.2 Ų | 146.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -80.5 | 144.5 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 290 | P | 35.5 | Very low | 36.8 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 82% | 0.821 | S | S | * | * | | | trans | -123.8 | 135.7 | 147.8 | 34.4 | -24 | 0 | 0 | 0 | 111.8 | | |
| 291 | L | 37.1 | Very low | 36.5 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | | | trans | -112.1 | 163.5 | 165.8 | -66.4 | 171.6 | 0 | 0 | 0 | 108.6 | | |
| 292 | P | 47.5 | Very low | 36.2 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | | | | -126.5 | 154.8 | -51.5 | 35.8 | -23.1 | 0 | 0 | 0 | 110.7 | | |
| 293 | V | 31.2 | Very low | 36 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -111.5 | 139.9 | 177.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 294 | H | 35.1 | Very low | 35.5 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 78% | 0.778 | 82% | 0.82 | S | S | * | * | | | trans | -72.7 | 142.1 | -169.7 | 43.9 | -93.9 | 0 | 0 | 0 | 114.2 | | |
| 295 | T | 32.9 | Very low | 34.9 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -138.2 | 114.4 | 154.4 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 296 | K | 36 | Very low | 34.7 | Very low | 218 Ų | 218 | 133 Ų | 133 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | | | trans | -103.1 | 125.2 | 165.2 | -85 | -173.7 | 174.9 | -178.5 | 0 | 108.6 | | |
| 297 | S | 31.5 | Very low | 35.5 | Very low | 133 Ų | 133 | 132 Ų | 132 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | | | trans | -155.2 | 142.4 | 153.4 | -164.8 | 0 | 0 | 0 | 0 | 109 | | |
| 298 | G | 31.3 | Very low | 35.2 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | | | trans | 136 | 94.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 299 | S | 31.7 | Very low | 35.7 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | -117.8 | 132.9 | -171.4 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 300 | S | 33.2 | Very low | 35.5 | Very low | 129 Ų | 129 | 130 Ų | 130 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -142.8 | 169.2 | 153.9 | 63.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 301 | A | 33.5 | Very low | 35.3 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | | | trans | -138.5 | -169.5 | -156.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 302 | P | 44.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | | | | -117.4 | -163.9 | -50.5 | 34.4 | -17.2 | 0 | 0 | 0 | 110.2 | | |
| 303 | P | 43.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | | -144 | 176.2 | 85.4 | 36.7 | -18.4 | 0 | 0 | 0 | 115.9 | | |
| 304 | K | 30.4 | Very low | 33.7 | Very low | 212 Ų | 212 | 131 Ų | 131 | 92% | 0.922 | 82% | 0.821 | S | S | * | * | | | trans | -63.5 | 156.9 | -177.6 | -56.2 | 165.3 | 177.3 | 175.5 | 0 | 113.9 | | |
| 305 | G | 27.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | 169.2 | 67.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 306 | S | 27.3 | Very low | 33.4 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -106 | 153.9 | 162.9 | 66.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 307 | P | 51.2 | Low | 33 | Very low | 129 Ų | 129 | 125.8 Ų | 125.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | | -133.9 | -177.9 | 65.7 | 29.9 | -8.8 | 0 | 0 | 0 | 115.7 | | |
| 308 | A | 27.8 | Very low | 33.2 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | -103.3 | -156.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 309 | P | 49.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | cis | -139 | -148.5 | -6.9 | 41.9 | -20.3 | 0 | 0 | 0 | 113.7 | | |
| 310 | T | 28.1 | Very low | 33 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | | | trans | 87.9 | 122.2 | 166.4 | -29.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 311 | V | 29.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | cis | 92.3 | 139.4 | 34.3 | -176.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 312 | L | 27.9 | Very low | 33.3 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | 76.9 | 157.3 | -174.3 | -53.7 | -176.8 | 0 | 0 | 0 | 115.8 | | |
| 313 | A | 27.6 | Very low | 33.5 | Very low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 82% | 0.817 | S | S | * | * | | | cis | -170.6 | 179 | -28.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 314 | E | 27.3 | Very low | 32.7 | Very low | 195 Ų | 195 | 126.8 Ų | 126.8 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | 63 | 161.7 | -179.7 | -77.4 | 173.6 | 93.5 | 0 | 0 | 114.7 | | |
| 315 | E | 28.7 | Very low | 32.9 | Very low | 182 Ų | 182 | 122.9 Ų | 122.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | cis | -142.5 | 140.8 | 16.6 | -175.6 | -161 | 142.7 | 0 | 0 | 111.2 | | |
| 316 | A | 33.1 | Very low | 33.8 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 175.1 | 127.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 317 | T | 28.5 | Very low | 34.5 | Very low | 146 Ų | 146 | 124.9 Ų | 124.9 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -136.7 | 160 | 176.4 | -72.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 318 | A | 34 | Very low | 33.4 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | 79.1 | 142.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 319 | G | 29.4 | Very low | 33.6 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | cis | -169.7 | 124.8 | -7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 320 | G | 29.6 | Very low | 32.8 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | -90.1 | 164 | -156.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 321 | Q | 29 | Very low | 32.8 | Very low | 195 Ų | 195 | 125.9 Ų | 125.9 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -154 | 145.9 | 150 | -117.4 | 172.8 | 100.4 | 0 | 0 | 111.3 | | |
| 322 | L | 43.9 | Very low | 32.8 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | trans | -129.8 | 162.7 | 170.6 | -78.4 | 178.6 | 0 | 0 | 0 | 106.2 | | |
| 323 | P | 49.5 | Very low | 32.8 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | cis | -137.5 | -161.8 | 32.7 | 45.2 | -26.2 | 0 | 0 | 0 | 112.8 | | |
| 324 | A | 27.6 | Very low | 33.2 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | | | cis | -144.8 | 134 | -2.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 325 | T | 33.4 | Very low | 33.3 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 80% | 0.798 | 81% | 0.811 | S | S | * | * | | | | 45.7 | 147.7 | 88.8 | 25.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 326 | P | 46.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | cis | -131.4 | 168.3 | -15.3 | 38.3 | -21.6 | 0 | 0 | 0 | 115.1 | | |
| 327 | P | 42.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | | | trans | -88.8 | 153.3 | 165 | 35.9 | -32.9 | 0 | 0 | 0 | 112.7 | | |
| 328 | G | 27.4 | Very low | 33.7 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -99.1 | 148 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 329 | A | 32.8 | Very low | 33.4 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -146.3 | 177.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 330 | A | 32.8 | Very low | 33.5 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | 66.8 | 153.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 331 | E | 28.3 | Very low | 34 | Very low | 199 Ų | 199 | 137.6 Ų | 137.6 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | cis | -155.4 | 161 | -6.2 | -119.9 | 161.7 | 169.7 | 0 | 0 | 106 | | |
| 332 | G | 29.1 | Very low | 33.9 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | 148.3 | 123.3 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 333 | H | 28.6 | Very low | 33 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -156.7 | 157.8 | 155.1 | -156.3 | -94.5 | 0 | 0 | 0 | 111.2 | | |
| 334 | L | 35.9 | Very low | 32.1 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | -106.6 | 139.1 | -173.6 | -177.7 | 67.5 | 0 | 0 | 0 | 110.7 | | |
| 335 | E | 29.6 | Very low | 32.1 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -177.1 | 153.6 | 131 | -104 | 173.9 | -171.3 | 0 | 0 | 114.1 | | |
| 336 | K | 34.7 | Very low | 31.8 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -152.1 | 172.8 | 169.3 | -58.4 | -174.2 | 178.5 | 177.6 | 0 | 105.2 | | |
| 337 | P | 38.4 | Very low | 31.6 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | cis | -145.6 | -162.7 | 11.8 | 29.9 | -2.4 | 0 | 0 | 0 | 115.5 | | |
| 338 | V | 24.2 | Very low | 31.3 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 66% | 0.655 | 79% | 0.791 | S | S | * | * | | | trans | 70.2 | 113.8 | 155.4 | -136.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 339 | R | 27.5 | Very low | 31.7 | Very low | 217 Ų | 217 | 141 Ų | 141 | 82% | 0.819 | 79% | 0.793 | S | S | * | * | | | | 172.3 | 121.2 | 101.9 | -91.7 | -180 | -178.4 | 88.4 | -2.3 | 114 | | |
| 340 | E | 31.7 | Very low | 31.9 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | | -79 | 157.2 | 128.5 | -62.2 | -170.5 | 121.6 | 0 | 0 | 107.7 | | |
| 341 | P | 40.6 | Very low | 31.7 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | | | | -151 | 135.2 | 91 | 35.8 | -16.3 | 0 | 0 | 0 | 117.4 | | |
| 342 | Q | 27.3 | Very low | 32 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | 68 | 150.4 | 129.7 | -63 | -170.3 | 15.1 | 0 | 0 | 124.8 | | |
| 343 | C | 24.5 | Very low | 32 | Very low | 103 Ų | 103 | 153.6 Ų | 153.6 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | | | trans | 90.3 | 98.4 | 141.7 | -83.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 344 | K | 31.2 | Very low | 32.2 | Very low | 206 Ų | 206 | 150.6 Ų | 150.6 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | | | | 30.3 | 125.6 | 128.5 | -61.3 | -174.3 | 177.9 | -174.4 | 0 | 119.5 | | |
| 345 | A | 27.4 | Very low | 32.2 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | | 176.2 | 162.1 | 102 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 346 | A | 27.5 | Very low | 32 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | -161.2 | 163.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 347 | P | 41.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | cis | -111.5 | -157.9 | -16.5 | 34.5 | -15.4 | 0 | 0 | 0 | 110.2 | | |
| 348 | P | 36.7 | Very low | 32 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | | -145.3 | 165.6 | 84.1 | 39.4 | -23.2 | 0 | 0 | 0 | 115.7 | | |
| 349 | L | 36.1 | Very low | 32 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -79.3 | 148.8 | 160.3 | -68.1 | 169.2 | 0 | 0 | 0 | 110.1 | | |
| 350 | P | 36.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | | | trans | -144.8 | 153.4 | 131 | 36 | -21.5 | 0 | 0 | 0 | 116.4 | | |
| 351 | R | 27.3 | Very low | 32.3 | Very low | 235 Ų | 235 | 141.7 Ų | 141.7 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | 62.3 | 117.4 | 148.8 | -70.3 | -178.5 | 177.3 | -147.5 | -3.2 | 121 | | |
| 352 | K | 35.9 | Very low | 31.9 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | | | trans | -66.5 | 121.1 | 153.5 | 173.6 | -175.4 | -178 | -179.3 | 0 | 110 | | |
| 353 | E | 29.4 | Very low | 32.1 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -111.2 | 156.7 | 167.1 | -73.9 | -167.7 | 140.4 | 0 | 0 | 111.2 | | |
| 354 | T | 32.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 76% | 0.761 | 82% | 0.816 | S | S | * | * | | | trans | -131.7 | 112.6 | -172.9 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 355 | S | 36.6 | Very low | 32.8 | Very low | 125 Ų | 125 | 142.8 Ų | 142.8 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -89.3 | 142.4 | 157.8 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 356 | G | 25.4 | Very low | 33 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | cis | 135.9 | 82.5 | -6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 357 | T | 39.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | | | trans | -150.3 | 119.6 | 171.5 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 358 | Q | 32 | Very low | 32.6 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | | | trans | 52.1 | 135.3 | 159.6 | -60.4 | 166.7 | 15.8 | 0 | 0 | 118.8 | | |
| 359 | G | 26 | Very low | 32.6 | Very low | 73 Ų | 73 | 144.7 Ų | 144.7 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | cis | 115.2 | 87.9 | -0.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 360 | I | 34.1 | Very low | 32.5 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 92% | 0.923 | 82% | 0.823 | S | S | * | * | | | trans | -144.8 | 149.8 | 156.3 | -100.3 | 164.4 | 0 | 0 | 0 | 107.7 | | |
| 361 | E | 30.4 | Very low | 32.5 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -98.3 | 148.1 | -165.1 | -173.2 | 174.5 | 175.1 | 0 | 0 | 112.2 | | |
| 362 | G | 32.3 | Very low | 32.6 | Very low | 70 Ų | 70 | 140.9 Ų | 140.9 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | -173.9 | 54.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 363 | H | 32.3 | Very low | 32.5 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | | | trans | 41.2 | 105.2 | 156.6 | -77.8 | -90.8 | 0 | 0 | 0 | 121.6 | | |
| 364 | L | 36.4 | Very low | 32.5 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | | 12.4 | 131.4 | 126.1 | -53.6 | 173.2 | 0 | 0 | 0 | 118.8 | | |
| 365 | K | 33.7 | Very low | 32.7 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | | | | -167.5 | 157.7 | 88.9 | -156.4 | 159.5 | -177.1 | 176.3 | 0 | 112.3 | | |
| 366 | A | 31.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -109.1 | 167 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 367 | G | 29.7 | Very low | 35.1 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -159.6 | 136.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 368 | E | 31.1 | Very low | 34.6 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | trans | -124.3 | 170.5 | -169.9 | -158.9 | 174.9 | 155.7 | 0 | 0 | 111.8 | | |
| 369 | A | 36.4 | Very low | 34.6 | Very low | 89 Ų | 89 | 138.4 Ų | 138.4 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -72.7 | 156 | -160.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 370 | T | 33.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | 173.3 | 165.1 | 154.4 | 21.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 371 | V | 37.5 | Very low | 34.7 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | | | cis | -163.9 | 170.2 | -47 | 121.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 372 | E | 30.1 | Very low | 34.5 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | 68.3 | 126.4 | -177 | -68.8 | 170.3 | 119.6 | 0 | 0 | 114.7 | | |
| 373 | D | 32.7 | Very low | 34.3 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | cis | 89.3 | 139.7 | 31 | -161.8 | 27.8 | 0 | 0 | 0 | 115.1 | | |
| 374 | Q | 28.6 | Very low | 34.4 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | 151.7 | 114.4 | 166.5 | -83.2 | -91 | 58.4 | 0 | 0 | 111.7 | | |
| 375 | I | 36.3 | Very low | 34.1 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -153.1 | 177.6 | 171.3 | 5.5 | 174.5 | 0 | 0 | 0 | 106.4 | | |
| 376 | P | 58.8 | Low | 33.9 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -128.5 | -134.4 | -0.2 | 32.2 | -5.3 | 0 | 0 | 0 | 108.9 | | |
| 377 | P | 54.5 | Low | 34 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | | | cis | -129.9 | 176.9 | -17.6 | 46 | -29.2 | 0 | 0 | 0 | 113.9 | | |
| 378 | S | 29 | Very low | 34.1 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | -154.2 | 155.8 | 79.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | | |
| 379 | N | 31.7 | Very low | 33.9 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -107.1 | 164.6 | -168.3 | -57.1 | -62.5 | 0 | 0 | 0 | 115.1 | | |
| 380 | L | 32.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | 161.6 | 108.1 | 132.4 | -84.8 | 159.3 | 0 | 0 | 0 | 107.3 | | |
| 381 | E | 29.8 | Very low | 33.2 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | | 58 | 138.7 | 72.1 | -115.6 | -157.3 | 100.7 | 0 | 0 | 113.8 | | |
| 382 | T | 26.1 | Very low | 33 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | | | cis | -149 | 166.8 | 18.3 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 383 | A | 29.2 | Very low | 33.1 | Very low | 87 Ų | 87 | 144 Ų | 144 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | -127.8 | 152.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 384 | P | 34 | Very low | 33.1 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -147.9 | 142 | 143.3 | 33.9 | -15.7 | 0 | 0 | 0 | 117.8 | | |
| 385 | V | 29.1 | Very low | 33 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | 79.9 | 153.1 | 139 | 173.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 386 | E | 30.9 | Very low | 32.5 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -81.2 | 168.2 | -169.1 | -46.3 | 168.9 | 115.7 | 0 | 0 | 114.3 | | |
| 387 | H | 32.6 | Very low | 30.9 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | | -163.6 | 159.8 | 113.6 | -104.8 | -65.3 | 0 | 0 | 0 | 112.8 | | |
| 388 | H | 32.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | -85.1 | 175.9 | 179.5 | -76.3 | -86.9 | 0 | 0 | 0 | 113.6 | | |
| 389 | H | 26.1 | Very low | 29.5 | Very low | 199 Ų | 199 | 138.7 Ų | 138.7 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | 81.8 | 143 | 155.4 | -131.2 | 79.2 | 0 | 0 | 0 | 115.2 | | |
| 390 | G | 26.7 | Very low | 29.4 | Very low | 55 Ų | 55 | 136.9 Ų | 136.9 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | | | cis | -170.4 | 174.1 | -4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 391 | F | 29.4 | Very low | 29.2 | Very low | 211 Ų | 211 | 135 Ų | 135 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | | | trans | -64.3 | 138.2 | 175.6 | -68.6 | -93.1 | 0 | 0 | 0 | 110.9 | | |
| 392 | H | 32.6 | Very low | 29.1 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | | | trans | -136.3 | 95.8 | 159 | -120.1 | -54.6 | 0 | 0 | 0 | 112.5 | | |
| 393 | E | 31.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | -53 | 133.8 | 149.6 | 179.1 | -172.8 | 167.7 | 0 | 0 | 109.2 | | |
| 394 | K | 33.7 | Very low | 29.3 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | -155.1 | 84.7 | 166.3 | -141.2 | 168.5 | -170.2 | 173.8 | 0 | 114.6 | | |
| 395 | T | 26.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -66.2 | 126.7 | 160.1 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 396 | A | 24.7 | Very low | 29.1 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -163.3 | 161.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 397 | A | 25.8 | Very low | 29.2 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | | | trans | -140.9 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 398 | S | 27.8 | Very low | 29.3 | Very low | 98 Ų | 98 | 137 Ų | 137 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 75.1 | 157.2 | 172.4 | -76.6 | 0 | 0 | 0 | 0 | 118.9 | E60 | E60-S398 PolarHBondContact OE1-OG 3.4Š|
| 399 | K | 26.6 | Very low | 29.1 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 40% | 0.4 | 76% | 0.759 | S | S | . | * | | | cis | 171.6 | 130.3 | -38.3 | 158.6 | 171.1 | 149.8 | -147.6 | 0 | 111.9 | E60 | E60-K399 VanDerWaalsContact CD-CE 3.49Å; E60-K399 WeakPolarHBondContact OE1-CD 3.43Å; E60-K399 WeakPolarHBondContact OE1-CE 3.34Å; E60-K399 IonicContact OE1-NZ 3.07Å; E60-K399 PolarHBondContact OE1-NZ 3.37Å; E60-K399 WeakPolarHBondContact OE2-CD 3.46Å; E60-K399 WeakPolarHBondContact OE2-CE 3.49Å; E60-K399 IonicContact OE2-NZ 3.64Å; E60-K399 PolarHBondContact OE2-NZ 3.37Å |
| 400 | L | 29.6 | Very low | 29.4 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 57% | 0.571 | 75% | 0.746 | S | S | * | * | | | trans | 54 | 170.5 | 157.5 | -72.3 | 164 | 0 | 0 | 0 | 118.5 | V58 | V58-L400 HydrophobicContact CB-CD1 4.16Å; V58-L400 HydrophobicContact CG1-CD1 3.73Å; V58-L400 HydrophobicContact CG2-CD1 3.45Å; V58-L400 VanDerWaalsContact CG2-CD1 3.45Å |
| 401 | E | 28.5 | Very low | 29.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 55% | 0.551 | 76% | 0.762 | S | S | * | * | | | cis | -146.1 | -166.4 | -1.9 | -154.5 | 143.5 | -137.1 | 0 | 0 | 111 | V58 | V58-E401 WeakPolarHBondContact CG1-OE1 3.3Š|
| 402 | A | 27.6 | Very low | 30.1 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | | | trans | 75.2 | 118.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 403 | E | 33.9 | Very low | 30.6 | Very low | 200 Ų | 200 | 125.9 Ų | 125.9 | 94% | 0.935 | 76% | 0.758 | S | S | * | * | | | | 71.3 | 131.4 | 61.3 | -69.3 | -164.3 | 159.8 | 0 | 0 | 113.9 | | |
| 404 | G | 25.5 | Very low | 30.6 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | cis | -177.5 | -178.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 405 | E | 28.9 | Very low | 31 | Very low | 201 Ų | 201 | 120.7 Ų | 120.7 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | | | trans | 35.7 | 120.7 | 159.4 | -54.8 | -169.7 | 158.3 | 0 | 0 | 122.2 | | |
| 406 | A | 30.8 | Very low | 31.4 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | | | trans | -161.2 | 169.5 | 143.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 407 | M | 31.8 | Very low | 32.6 | Very low | 155 Ų | 155 | 127 Ų | 127 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -123.8 | 167.7 | -167.3 | -144.9 | 170 | 74 | 0 | 0 | 112.2 | | |
| 408 | E | 34.4 | Very low | 32.9 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 66.8 | 160.7 | 163.5 | -66.6 | 171.6 | 172.1 | 0 | 0 | 117.2 | | |
| 409 | D | 27.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | cis | -162.4 | 167.6 | -32.9 | -179.6 | 37.2 | 0 | 0 | 0 | 108.7 | | |
| 410 | A | 34.4 | Very low | 34.3 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | trans | 78.2 | 151 | 158.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 411 | A | 30.5 | Very low | 35.3 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 131.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 412 | A | 39.5 | Very low | 36.2 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -129.6 | -176.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 413 | P | 42.6 | Very low | 37.4 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | | | cis | -120 | 156.6 | -15 | 37.6 | -24.3 | 0 | 0 | 0 | 113 | | |
| 414 | G | 32.4 | Very low | 38.6 | Very low | 81 Ų | 81 | 129.7 Ų | 129.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -127.2 | 94.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 415 | D | 40.9 | Very low | 40.1 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -91.6 | 95.6 | 176.3 | -175.2 | 18.1 | 0 | 0 | 0 | 110 | | |
| 416 | D | 36.5 | Very low | 41.6 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | | | trans | -142.9 | 108.1 | 161.3 | -166.7 | 26.6 | 0 | 0 | 0 | 112.3 | G418 | D416-G418 PolarHBondContact O-N 3.45Š|
| 417 | R | 49.6 | Very low | 43.2 | Very low | 223 Ų | 223 | 130.6 Ų | 130.6 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | 36.3 | 61.4 | 149 | -67.6 | 173.6 | 160 | -98.6 | -6.2 | 116.5 | G419 | R417-G419 VanDerWaalsContact C-N 3.34Å; R417-G419 PolarHBondContact O-N 3.35Å |
| 418 | G | 32.4 | Very low | 45.2 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -55.2 | 98.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D416 T420 | D416-G418 PolarHBondContact O-N 3.45Å; G418-T420 PolarHBondContact O-N 3.43Å |
| 419 | G | 43.1 | Very low | 47.3 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -73.3 | 57.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R417 Q421 | R417-G419 VanDerWaalsContact C-N 3.34Å; R417-G419 PolarHBondContact O-N 3.35Å; G419-Q421 PolarHBondContact O-N 3.07Å |
| 420 | T | 40.4 | Very low | 50.1 | Low | 123 Ų | 123 | 126.5 Ų | 126.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 87.8 | 170.8 | -55.5 | 0 | 0 | 0 | 0 | 108.6 | G418 E422 | G418-T420 PolarHBondContact O-N 3.43Å; T420-E422 PolarHBondContact O-N 2.72Å |
| 421 | Q | 49.9 | Very low | 52.8 | Low | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | | | trans | -64.8 | 88.1 | 150.7 | -69.3 | -168.5 | 18.4 | 0 | 0 | 106.5 | G419 L423 | G419-Q421 PolarHBondContact O-N 3.07Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.29Å |
| 422 | E | 46.4 | Very low | 55.8 | Low | 157 Ų | 157 | 128.5 Ų | 128.5 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -51.6 | 107.2 | 157.8 | -175.6 | -179.7 | 150.5 | 0 | 0 | 105.9 | T420 A424 | T420-E422 PolarHBondContact O-N 2.72Å; E422-A424 PolarHBondContact O-N 2.92Å |
| 423 | L | 54.4 | Low | 58.4 | Low | 167 Ų | 167 | 129.9 Ų | 129.9 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -64.1 | 90.7 | 175.1 | -95.9 | 143.5 | 0 | 0 | 0 | 106.6 | Q421 | Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.29Å |
| 424 | A | 57.9 | Low | 60.9 | Low | 82 Ų | 82 | 129.5 Ų | 129.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | trans | -47.2 | 124.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | E422 M426 | E422-A424 PolarHBondContact O-N 2.92Å; A424-M426 PolarHBondContact O-N 2.84Å |
| 425 | P | 58.1 | Low | 64 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | | | trans | -57.3 | 115.8 | -165.9 | 20.6 | -32.7 | 0 | 0 | 0 | 109.1 | P427 | P425-P427 VanDerWaalsContact O-N 3.15Š|
| 426 | M | 59.9 | Low | 66.7 | Low | 173 Ų | 173 | 128.5 Ų | 128.5 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 124.2 | -178.6 | -143.9 | -177.1 | 86.5 | 0 | 0 | 107.3 | A424 A428 | A424-M426 PolarHBondContact O-N 2.84Å; M426-A428 PolarHBondContact O-N 3.42Å |
| 427 | P | 64.6 | Low | 69.5 | Low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117.9 | -169.7 | 21.6 | -33.1 | 0 | 0 | 0 | 108.8 | P425 E429 | P425-P427 VanDerWaalsContact O-N 3.15Å; P427-E429 PolarHBondContact O-N 3.04Å |
| 428 | A | 72.9 | Confident | 71.8 | Confident | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 124.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | M426 | M426-A428 PolarHBondContact O-N 3.42Š|
| 429 | E | 79.8 | Confident | 74.9 | Confident | 181 Ų | 181 | 122.1 Ų | 122.1 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 125.7 | -179.7 | -171.6 | 179.5 | 169.4 | 0 | 0 | 108.8 | P427 F431 | P427-E429 PolarHBondContact O-N 3.04Å; E429-F431 PolarHBondContact O-N 3.23Å |
| 430 | P | 86.4 | Confident | 77.5 | Confident | 115 Ų | 115 | 123.8 Ų | 123.8 | 75% | 0.747 | 67% | 0.668 | S | S | * | * | | | trans | -56.2 | 109.6 | -173.5 | -29.3 | 36.3 | 0 | 0 | 0 | 111.9 | D432 | P430-D432 PolarHBondContact O-N 3.47Š|
| 431 | F | 90.4 | Very high | 80.2 | Confident | 177 Ų | 177 | 121.5 Ų | 121.5 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | | | trans | -67.1 | 100.5 | -177.4 | 178.8 | -98.5 | 0 | 0 | 0 | 110.6 | E429 N433 | E429-F431 PolarHBondContact O-N 3.23Å; F431-N433 HydrophobicContact CE1-CB 3.81Å; F431-N433 HydrophobicContact CZ-CB 3.89Å |
| 432 | D | 92.9 | Very high | 82.5 | Confident | 52 Ų | 52 | 118.8 Ų | 118.8 | 28% | 0.278 | 64% | 0.636 | S | S | . | * | | | trans | -111.5 | 101.8 | 177.7 | 171.4 | 28 | 0 | 0 | 0 | 110.8 | P430 T434 T435 K437 | P430-D432 PolarHBondContact O-N 3.47Å; D432-T434 WeakPolarHBondContact OD1-CA 3.47Å; D432-T434 WeakPolarHBondContact OD1-CB 3.42Å; D432-T434 PolarHBondContact OD1-N 3.16Å; D432-T434 PolarHBondContact OD1-OG1 3.48Å; D432-T435 PolarHBondContact OD1-N 3.4Å; D432-T435 PolarHBondContact OD1-OG1 3.04Å; D432-T435 WeakPolarHBondContact OD2-CB 3.11Å; D432-T435 PolarHBondContact OD2-OG1 3.08Å; D432-K437 WeakPolarHBondContact O-CE 3.24Å; D432-K437 IonicContact OD2-NZ 3.56Å; D432-K437 PolarHBondContact OD2-NZ 3.15Å |
| 433 | N | 94.3 | Very high | 84.9 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | | | trans | -97.5 | 6.8 | 168.7 | 66.9 | -13.6 | 0 | 0 | 0 | 113 | F431 | F431-N433 HydrophobicContact CE1-CB 3.81Å; F431-N433 HydrophobicContact CZ-CB 3.89Å |
| 434 | T | 96.4 | Very high | 87 | Confident | 122 Ų | 122 | 116.8 Ų | 116.8 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -94.7 | -33.6 | -176.8 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | D432 | D432-T434 WeakPolarHBondContact OD1-CA 3.47Å; D432-T434 WeakPolarHBondContact OD1-CB 3.42Å; D432-T434 PolarHBondContact OD1-N 3.16Å; D432-T434 PolarHBondContact OD1-OG1 3.48Å |
| 435 | T | 97.2 | Very high | 88.9 | Confident | 78 Ų | 78 | 116.7 Ų | 116.7 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -89.5 | 126.4 | 176.8 | -44.4 | 0 | 0 | 0 | 0 | 111.7 | D432 K437 | D432-T435 PolarHBondContact OD1-N 3.4Å; D432-T435 PolarHBondContact OD1-OG1 3.04Å; D432-T435 WeakPolarHBondContact OD2-CB 3.11Å; D432-T435 PolarHBondContact OD2-OG1 3.08Å; T435-K437 WeakPolarHBondContact O-CD 3.24Å; T435-K437 WeakPolarHBondContact O-CE 3.33Å; T435-K437 PolarHBondContact O-N 3.13Å |
| 436 | Y | 96.4 | Very high | 90.9 | Very high | 145 Ų | 145 | 117.6 Ų | 117.6 | 57% | 0.569 | 62% | 0.616 | S | S | * | * | | | trans | -68.2 | 121.4 | 169.8 | 178.7 | -107.4 | 0 | 0 | 0 | 111 | N438 L439 | Y436-N438 HydrophobicContact CE1-CB 4.09Å; Y436-N438 WeakPolarHBondContact CE1-O 3.25Å; Y436-N438 HydrophobicContact CE2-CB 4.41Å; Y436-L439 HydrophobicContact CD1-CD2 3.9Å; Y436-L439 HydrophobicContact CE1-CD2 4.41Å |
| 437 | K | 96.9 | Very high | 92.7 | Very high | 128 Ų | 128 | 116.4 Ų | 116.4 | 56% | 0.557 | 60% | 0.603 | S | S | * | * | | | trans | -90.6 | -17.5 | -167.8 | -52.8 | -62 | -174.9 | 172.4 | 0 | 115.4 | D432 T435 L439 Q440 | D432-K437 WeakPolarHBondContact O-CE 3.24Å; D432-K437 IonicContact OD2-NZ 3.56Å; D432-K437 PolarHBondContact OD2-NZ 3.15Å; T435-K437 WeakPolarHBondContact O-CD 3.24Å; T435-K437 WeakPolarHBondContact O-CE 3.33Å; T435-K437 PolarHBondContact O-N 3.13Å; K437-L439 PolarHBondContact O-N 3.06Å; K437-Q440 PolarHBondContact O-NE2 3.32Å |
| 438 | N | 96.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 112.7 Ų | 112.7 | 42% | 0.417 | 58% | 0.578 | S | S | . | * | | | trans | -93.5 | 66.8 | -175.4 | -174.2 | -16.8 | 0 | 0 | 0 | 111.7 | Y436 Q440 H441 | Y436-N438 HydrophobicContact CE1-CB 4.09Å; Y436-N438 WeakPolarHBondContact CE1-O 3.25Å; Y436-N438 HydrophobicContact CE2-CB 4.41Å; N438-Q440 VanDerWaalsContact CA-OE1 3.23Å; N438-Q440 PolarHBondContact OD1-OE1 3.03Å; N438-H441 PolarHBondContact O-CE1 3.26Å; N438-H441 VanDerWaalsContact O-CE1 3.25Å; N438-H441 PolarHBondContact O-ND1 3.48Å |
| 439 | L | 97.9 | Very high | 95.5 | Very high | 88 Ų | 88 | 115.8 Ų | 115.8 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | | | trans | -89.2 | -7.9 | 178.5 | -62.7 | 177.7 | 0 | 0 | 0 | 113.4 | Y436 K437 H441 H442 | Y436-L439 HydrophobicContact CD1-CD2 3.9Å; Y436-L439 HydrophobicContact CE1-CD2 4.41Å; K437-L439 PolarHBondContact O-N 3.06Å; L439-H441 PolarHBondContact O-N 3.46Å; L439-H441 VanDerWaalsContact O-N 3.09Å; L439-H442 WeakPolarHBondContact O-CB 3.48Å; L439-H442 PolarHBondContact O-CD2 3.06Å; L439-H442 VanDerWaalsContact O-CD2 3.23Å; L439-H442 PolarHBondContact O-N 3.06Å |
| 440 | Q | 97.6 | Very high | 96.4 | Very high | 108 Ų | 108 | 111.8 Ų | 111.8 | 51% | 0.505 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -61.7 | -24.5 | -173.9 | -59 | 76.4 | 17.2 | 0 | 0 | 112.8 | K437 N438 H442 D443 Y444 | K437-Q440 PolarHBondContact O-NE2 3.32Å; N438-Q440 VanDerWaalsContact CA-OE1 3.23Å; N438-Q440 PolarHBondContact OD1-OE1 3.03Å; Q440-H442 PolarHBondContact O-N 3.23Å; Q440-D443 PolarHBondContact O-N 3.31Å; Q440-Y444 WeakPolarHBondContact O-CD1 3.42Å; Q440-Y444 VanDerWaalsContact O-CE1 3.24Å; Q440-Y444 WeakPolarHBondContact O-CE1 3.45Å |
| 441 | H | 97.3 | Very high | 97 | Very high | 76 Ų | 76 | 110.1 Ų | 110.1 | 35% | 0.352 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -72.1 | -10.4 | 178.7 | 76.5 | -86 | 0 | 0 | 0 | 114.3 | N438 L439 D443 Y444 | N438-H441 PolarHBondContact O-CE1 3.26Å; N438-H441 VanDerWaalsContact O-CE1 3.25Å; N438-H441 PolarHBondContact O-ND1 3.48Å; L439-H441 PolarHBondContact O-N 3.46Å; L439-H441 VanDerWaalsContact O-N 3.09Å; H441-D443 VanDerWaalsContact C-N 3.33Å; H441-Y444 HydrophobicContact CB-CD2 3.89Å; H441-Y444 HydrophobicContact CB-CE2 3.68Å; H441-Y444 HydrophobicContact CB-CG 4.49Å |
| 442 | H | 97.8 | Very high | 97.3 | Very high | 123 Ų | 123 | 106.5 Ų | 106.5 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -73.5 | -26.6 | 173.5 | -63.1 | -44.2 | 0 | 0 | 0 | 112.7 | L439 Q440 Y444 | L439-H442 WeakPolarHBondContact O-CB 3.48Å; L439-H442 PolarHBondContact O-CD2 3.06Å; L439-H442 VanDerWaalsContact O-CD2 3.23Å; L439-H442 PolarHBondContact O-N 3.06Å; Q440-H442 PolarHBondContact O-N 3.23Å; H442-Y444 VanDerWaalsContact C-N 3.26Å; H442-Y444 PolarHBondContact O-N 3.25Å |
| 443 | D | 97.6 | Very high | 97.6 | Very high | 135 Ų | 135 | 107.1 Ų | 107.1 | 72% | 0.722 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -85.8 | 3.6 | 179.6 | -55.6 | -52.9 | 0 | 0 | 0 | 112.7 | Q440 H441 T445 | Q440-D443 PolarHBondContact O-N 3.31Å; H441-D443 VanDerWaalsContact C-N 3.33Å; D443-T445 PolarHBondContact O-N 3.09Å |
| 444 | Y | 98.4 | Very high | 97.8 | Very high | 146 Ų | 146 | 107.3 Ų | 107.3 | 57% | 0.573 | 54% | 0.535 | S | S | * | . | | | trans | -76.3 | 118 | -174.4 | -70.4 | -2.6 | 0 | 0 | 0 | 113.1 | Q440 H441 H442 T448 | Q440-Y444 WeakPolarHBondContact O-CD1 3.42Å; Q440-Y444 VanDerWaalsContact O-CE1 3.24Å; Q440-Y444 WeakPolarHBondContact O-CE1 3.45Å; H441-Y444 HydrophobicContact CB-CD2 3.89Å; H441-Y444 HydrophobicContact CB-CE2 3.68Å; H441-Y444 HydrophobicContact CB-CG 4.49Å; H442-Y444 VanDerWaalsContact C-N 3.26Å; H442-Y444 PolarHBondContact O-N 3.25Å; Y444-T448 HydrophobicContact CD1-CG2 4.43Å |
| 445 | T | 98.2 | Very high | 97.9 | Very high | 81 Ų | 81 | 106 Ų | 106 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | | | trans | -79.6 | 166.2 | 168.2 | 81.9 | 0 | 0 | 0 | 0 | 111.8 | D443 Y447 T448 | D443-T445 PolarHBondContact O-N 3.09Å; T445-Y447 PolarHBondContact O-N 3.45Å; T445-Y447 VanDerWaalsContact O-N 3.07Å; T445-Y447 PolarHBondContact OG1-N 2.84Å; T445-T448 PolarHBondContact O-N 3.29Å; T445-T448 PolarHBondContact O-OG1 3.37Å; T445-T448 PolarHBondContact OG1-N 3.4Å |
| 446 | T | 98.5 | Very high | 97.9 | Very high | 129 Ų | 129 | 107 Ų | 107 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -15.3 | 175.3 | 51.2 | 0 | 0 | 0 | 0 | 115 | | |
| 447 | Y | 98.3 | Very high | 98 | Very high | 147 Ų | 147 | 103.1 Ų | 103.1 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -15.5 | -175.8 | -66.5 | -74.4 | 0 | 0 | 0 | 113.9 | T445 F449 L450 D451 | T445-Y447 PolarHBondContact O-N 3.45Å; T445-Y447 VanDerWaalsContact O-N 3.07Å; T445-Y447 PolarHBondContact OG1-N 2.84Å; Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 3.28Å; Y447-L450 HydrophobicContact CD1-CD1 4.36Å; Y447-L450 WeakPolarHBondContact O-CA 3.1Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 3.25Å; Y447-D451 WeakPolarHBondContact CB-OD2 3.41Å; Y447-D451 VanDerWaalsContact O-CG 3.31Å; Y447-D451 PolarHBondContact O-N 3.19Å |
| 448 | T | 98.4 | Very high | 98 | Very high | 39 Ų | 39 | 103.6 Ų | 103.6 | 24% | 0.239 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -42.3 | -44.7 | -177.4 | 46.1 | 0 | 0 | 0 | 0 | 115.4 | Y444 T445 L450 D451 L452 | Y444-T448 HydrophobicContact CD1-CG2 4.43Å; T445-T448 PolarHBondContact O-N 3.29Å; T445-T448 PolarHBondContact O-OG1 3.37Å; T445-T448 PolarHBondContact OG1-N 3.4Å; T448-L450 PolarHBondContact O-N 3.41Å; T448-D451 PolarHBondContact N-OD2 3.24Å; T448-D451 PolarHBondContact O-N 3.24Å; T448-L452 VanDerWaalsContact O-CB 3.3Å; T448-L452 WeakPolarHBondContact O-CB 3.31Å; T448-L452 VanDerWaalsContact O-CG 3.24Å; T448-L452 WeakPolarHBondContact O-CG 3.39Å; T448-L452 PolarHBondContact O-N 3.2Å |
| 449 | F | 98.4 | Very high | 98.1 | Very high | 159 Ų | 159 | 107.3 Ų | 107.3 | 70% | 0.697 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.2 | -38.1 | 178 | 177.2 | -99 | 0 | 0 | 0 | 113.3 | Y447 N453 | Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 3.28Å; F449-N453 WeakPolarHBondContact O-CB 3.4Å; F449-N453 PolarHBondContact O-N 3.41Å |
| 450 | L | 98.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 109.9 Ų | 109.9 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -75.3 | -38.9 | 177.5 | -61.9 | 178.5 | 0 | 0 | 0 | 111.2 | Y447 T448 N453 L454 | Y447-L450 HydrophobicContact CD1-CD1 4.36Å; Y447-L450 WeakPolarHBondContact O-CA 3.1Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 3.25Å; T448-L450 PolarHBondContact O-N 3.41Å; L450-N453 PolarHBondContact O-N 3.12Å; L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 PolarHBondContact O-N 2.6Å |
| 451 | D | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 112.1 Ų | 112.1 | 42% | 0.422 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -50.4 | 176.9 | -55.5 | -36 | 0 | 0 | 0 | 110.4 | Y447 T448 N453 L454 D455 | Y447-D451 WeakPolarHBondContact CB-OD2 3.41Å; Y447-D451 VanDerWaalsContact O-CG 3.31Å; Y447-D451 PolarHBondContact O-N 3.19Å; T448-D451 PolarHBondContact N-OD2 3.24Å; T448-D451 PolarHBondContact O-N 3.24Å; D451-N453 VanDerWaalsContact C-N 3.32Å; D451-N453 PolarHBondContact O-N 2.94Å; D451-L454 WeakPolarHBondContact O-CB 3.37Å; D451-L454 PolarHBondContact O-N 3.38Å; D451-L454 VanDerWaalsContact O-N 3.16Å; D451-D455 PolarHBondContact O-N 3.41Å |
| 452 | L | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -36 | 174.2 | -69.9 | 170.8 | 0 | 0 | 0 | 112.5 | T448 D455 L456 | T448-L452 VanDerWaalsContact O-CB 3.3Å; T448-L452 WeakPolarHBondContact O-CB 3.31Å; T448-L452 VanDerWaalsContact O-CG 3.24Å; T448-L452 WeakPolarHBondContact O-CG 3.39Å; T448-L452 PolarHBondContact O-N 3.2Å; L452-D455 PolarHBondContact O-N 3.49Å; L452-L456 VanDerWaalsContact O-CB 3.31Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 WeakPolarHBondContact O-CG 3.04Å; L452-L456 PolarHBondContact O-N 3.42Å |
| 453 | N | 98.1 | Very high | 98.2 | Very high | 65 Ų | 65 | 115.6 Ų | 115.6 | 35% | 0.348 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -35.8 | 175.4 | 177.8 | 51.6 | 0 | 0 | 0 | 112.6 | F449 L450 D451 S457 R460 | F449-N453 WeakPolarHBondContact O-CB 3.4Å; F449-N453 PolarHBondContact O-N 3.41Å; L450-N453 PolarHBondContact O-N 3.12Å; D451-N453 VanDerWaalsContact C-N 3.32Å; D451-N453 PolarHBondContact O-N 2.94Å; N453-S457 PolarHBondContact O-N 2.8Å; N453-R460 PolarHBondContact OD1-NH2 3.47Å |
| 454 | L | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 115 Ų | 115 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -45.4 | 172.9 | 177.9 | 61.3 | 0 | 0 | 0 | 110.6 | L450 D451 L456 S457 | L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 PolarHBondContact O-N 2.6Å; D451-L454 WeakPolarHBondContact O-CB 3.37Å; D451-L454 PolarHBondContact O-N 3.38Å; D451-L454 VanDerWaalsContact O-N 3.16Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 2.65Å; L454-S457 WeakPolarHBondContact O-CB 2.99Å; L454-S457 PolarHBondContact O-N 2.92Å; L454-S457 VanDerWaalsContact O-N 3.08Å |
| 455 | D | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 112.9 Ų | 112.9 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -39.2 | 176.6 | -100.7 | -36.8 | 0 | 0 | 0 | 113 | D451 L452 S457 K458 | D451-D455 PolarHBondContact O-N 3.41Å; L452-D455 PolarHBondContact O-N 3.49Å; D455-S457 VanDerWaalsContact C-N 3.3Å; D455-K458 WeakPolarHBondContact O-CG 3.37Å; D455-K458 PolarHBondContact O-NZ 3Å; D455-K458 IonicContact OD1-NZ 2.99Å; D455-K458 PolarHBondContact OD1-NZ 2.68Å |
| 456 | L | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 113.8 Ų | 113.8 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.7 | -16.1 | 175.7 | -69.4 | 172.6 | 0 | 0 | 0 | 113.4 | L452 L454 K458 F459 | L452-L456 VanDerWaalsContact O-CB 3.31Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 WeakPolarHBondContact O-CG 3.04Å; L452-L456 PolarHBondContact O-N 3.42Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 2.65Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.65Å; L456-F459 PolarHBondContact O-N 2.96Å |
| 457 | S | 98.3 | Very high | 98.1 | Very high | 63 Ų | 63 | 111 Ų | 111 | 44% | 0.441 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -55.5 | -44.8 | -175.1 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | N453 L454 D455 F459 R460 | N453-S457 PolarHBondContact O-N 2.8Å; L454-S457 WeakPolarHBondContact O-CB 2.99Å; L454-S457 PolarHBondContact O-N 2.92Å; L454-S457 VanDerWaalsContact O-N 3.08Å; D455-S457 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 2.93Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 WeakPolarHBondContact O-CG 3.49Å; S457-R460 PolarHBondContact O-N 3.18Å |
| 458 | K | 97.1 | Very high | 98.1 | Very high | 139 Ų | 139 | 111.5 Ų | 111.5 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -12.9 | 179.4 | 60.4 | -176 | 175.6 | -71.8 | 0 | 115.1 | D455 L456 | D455-K458 WeakPolarHBondContact O-CG 3.37Å; D455-K458 PolarHBondContact O-NZ 3Å; D455-K458 IonicContact OD1-NZ 2.99Å; D455-K458 PolarHBondContact OD1-NZ 2.68Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.65Å |
| 459 | F | 98.2 | Very high | 98.1 | Very high | 156 Ų | 156 | 118 Ų | 118 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 4.7 | 178.3 | -56.3 | -72.5 | 0 | 0 | 0 | 113 | L456 S457 | L456-F459 PolarHBondContact O-N 2.96Å; S457-F459 PolarHBondContact O-N 2.93Å |
| 460 | R | 97.8 | Very high | 98 | Very high | 142 Ų | 142 | 112.3 Ų | 112.3 | 54% | 0.536 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -81.4 | 142.2 | 178.2 | -62.8 | 176.4 | 177.1 | -78.9 | 1.9 | 110.9 | N453 S457 | N453-R460 PolarHBondContact OD1-NH2 3.47Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 WeakPolarHBondContact O-CG 3.49Å; S457-R460 PolarHBondContact O-N 3.18Å |
| 461 | M | 98.3 | Very high | 97.9 | Very high | 155 Ų | 155 | 114.2 Ų | 114.2 | 76% | 0.764 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 147.3 | 168.2 | -67.1 | -60.1 | -70.2 | 0 | 0 | 111 | Q463 | M461-Q463 PolarHBondContact O-N 2.96Å; M461-Q463 PolarHBondContact O-NE2 3.24Å; M461-Q463 VanDerWaalsContact O-NE2 3.11Å |
| 462 | P | 98.4 | Very high | 97.8 | Very high | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.7 | 173.4 | -26.9 | 35.1 | 0 | 0 | 0 | 111.7 | | |
| 463 | Q | 98.1 | Very high | 97.6 | Very high | 156 Ų | 156 | 123.6 Ų | 123.6 | 73% | 0.729 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 137.3 | -179 | -62.1 | -59.3 | -81.3 | 0 | 0 | 110.6 | M461 | M461-Q463 PolarHBondContact O-N 2.96Å; M461-Q463 PolarHBondContact O-NE2 3.24Å; M461-Q463 VanDerWaalsContact O-NE2 3.11Å |
| 464 | P | 98.3 | Very high | 97.6 | Very high | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -67 | 138.1 | 177.5 | 28.4 | -34.4 | 0 | 0 | 0 | 110.6 | | |
| 465 | S | 98 | Very high | 97.5 | Very high | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 144.3 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | G467 | S465-G467 PolarHBondContact OG-N 2.99Å; S465-G467 VanDerWaalsContact OG-N 3.12Å |
| 466 | S | 97.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | | | trans | -80.7 | -2.2 | 170.7 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | R468 | S466-R468 VanDerWaalsContact C-N 3.26Å; S466-R468 PolarHBondContact OG-N 2.92Å; S466-R468 PolarHBondContact OG-O 2.76Å |
| 467 | G | 97.7 | Very high | 97.5 | Very high | 69 Ų | 69 | 129.8 Ų | 129.8 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 82 | -1.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S465 | S465-G467 PolarHBondContact OG-N 2.99Å; S465-G467 VanDerWaalsContact OG-N 3.12Å |
| 468 | R | 97.7 | Very high | 97.4 | Very high | 159 Ų | 159 | 134 Ų | 134 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -136.5 | 150.3 | 172.5 | -55.7 | -171.1 | -176.8 | -142 | -2.4 | 110.4 | S466 H473 | S466-R468 VanDerWaalsContact C-N 3.26Å; S466-R468 PolarHBondContact OG-N 2.92Å; S466-R468 PolarHBondContact OG-O 2.76Å; R468-H473 VanDerWaalsContact CD-OXT 3.26Å; R468-H473 WeakPolarHBondContact CD-OXT 3.46Å; R468-H473 VanDerWaalsContact NH1-C 3.33Å; R468-H473 PolarHBondContact NH1-O 2.8Å; R468-H473 PolarHBondContact NH1-OXT 3.06Å |
| 469 | E | 97.2 | Very high | 97.4 | Very high | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -69 | -36.1 | 175.7 | -174.1 | -169.2 | 154.3 | 0 | 0 | 112 | H473 | E469-H473 IonicContact OE2-CE1 2.65Š|
| 470 | S | 97.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 132.1 Ų | 132.1 | 28% | 0.28 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -150.7 | 162.8 | 175.5 | 85.1 | 0 | 0 | 0 | 0 | 111.6 | R472 H473 | S470-R472 PolarHBondContact O-N 2.88Å; S470-R472 PolarHBondContact OG-N 2.94Å; S470-H473 PolarHBondContact O-N 2.82Å; S470-H473 PolarHBondContact OG-ND1 2.84Å |
| 471 | P | 96.3 | Very high | 97.3 | Very high | 136 Ų | 136 | 131.3 Ų | 131.3 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 6.6 | 174.9 | -20.7 | 34 | 0 | 0 | 0 | 115.8 | | |
| 472 | R | 96.9 | Very high | 97.3 | Very high | 240 Ų | 240 | 129.3 Ų | 129.3 | 91% | 0.906 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | 2 | 178.9 | -68.3 | -177.4 | 177.1 | 149.4 | 0 | 113.7 | S470 | S470-R472 PolarHBondContact O-N 2.88Å; S470-R472 PolarHBondContact OG-N 2.94Å |
| 473 | H | 93.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 130.5 Ų | 130.5 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | | | trans | -92.1 | 0 | 160.3 | -64.4 | 125.8 | 0 | 0 | 0 | 108.5 | R468 E469 S470 | R468-H473 VanDerWaalsContact CD-OXT 3.26Å; R468-H473 WeakPolarHBondContact CD-OXT 3.46Å; R468-H473 VanDerWaalsContact NH1-C 3.33Å; R468-H473 PolarHBondContact NH1-O 2.8Å; R468-H473 PolarHBondContact NH1-OXT 3.06Å; E469-H473 IonicContact OE2-CE1 2.65Å; S470-H473 PolarHBondContact O-N 2.82Å; S470-H473 PolarHBondContact OG-ND1 2.84Å |