| 1 | M | 58 | Low | 56.5 | Low | 247 Ų | 247 | 182.5 Ų | 182.5 | 100% | 1.217 | 86% | 0.863 | S | S | * | * | | | | 0 | 108.5 | 0 | -88.7 | -177.4 | -141.6 | 0 | 0 | 109.4 | | |
| 2 | V | 55.2 | Low | 55.9 | Low | 144 Ų | 144 | 185.5 Ų | 185.5 | 87% | 0.873 | 86% | 0.86 | S | S | * | * | | | trans | -89.8 | 127.4 | 177.2 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | Y4 | V2-Y4 PolarHBondContact O-N 3.48Š|
| 3 | R | 57.9 | Low | 55.2 | Low | 241 Ų | 241 | 180.8 Ų | 180.8 | 91% | 0.909 | 86% | 0.855 | S | S | * | * | | | trans | -88.5 | 101.3 | 177.6 | -79.6 | -179.7 | 144.4 | -174.6 | -5.8 | 109.8 | | |
| 4 | Y | 55.4 | Low | 54.7 | Low | 201 Ų | 201 | 181.6 Ų | 181.6 | 79% | 0.788 | 86% | 0.858 | S | S | * | * | | | trans | -72.7 | 127.4 | 169.7 | -150.8 | -103.9 | 0 | 0 | 0 | 109.5 | V2 M6 | V2-Y4 PolarHBondContact O-N 3.48Å; Y4-M6 HydrophobicContact CD1-CG 4.08Å; Y4-M6 HydrophobicContact CE1-SD 3.87Å; Y4-M6 HydrophobicContact CD1-SD 4.09Å; Y4-M6 HydrophobicContact CE1-CG 4.4Å |
| 5 | R | 64 | Low | 54 | Low | 235 Ų | 235 | 173.9 Ų | 173.9 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | | | trans | -104.9 | 101.6 | 170 | -83.3 | -176.8 | 168.4 | -164.9 | -3.3 | 108 | R7 | R5-R7 PolarHBondContact O-N 3.29Š|
| 6 | M | 59.3 | Low | 53.8 | Low | 160 Ų | 160 | 175.1 Ų | 175.1 | 79% | 0.788 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 125.3 | 167 | -65.7 | -84.5 | -99.2 | 0 | 0 | 108.6 | Y4 | Y4-M6 HydrophobicContact CD1-CG 4.08Å; Y4-M6 HydrophobicContact CE1-SD 3.87Å; Y4-M6 HydrophobicContact CD1-SD 4.09Å; Y4-M6 HydrophobicContact CE1-CG 4.4Å |
| 7 | R | 56 | Low | 53.6 | Low | 222 Ų | 222 | 176.1 Ų | 176.1 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.5 | 168.4 | -75.7 | 169.8 | 83.4 | -174.3 | 1 | 107.9 | R5 | R5-R7 PolarHBondContact O-N 3.29Š|
| 8 | S | 57.9 | Low | 53.2 | Low | 110 Ų | 110 | 173.7 Ų | 173.7 | 77% | 0.769 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130 | 174.4 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | S10 | S8-S10 PolarHBondContact O-N 2.88Š|
| 9 | L | 56.3 | Low | 52.9 | Low | 177 Ų | 177 | 174.4 Ų | 174.4 | 93% | 0.927 | 85% | 0.851 | S | S | * | * | | | trans | -72.6 | 68.5 | 176 | -68.1 | 167.9 | 0 | 0 | 0 | 111.4 | | |
| 10 | S | 53.8 | Low | 52.4 | Low | 100 Ų | 100 | 169.1 Ų | 169.1 | 70% | 0.699 | 84% | 0.844 | S | S | * | * | | | trans | -125.6 | 46.2 | 167.8 | 71.4 | 0 | 0 | 0 | 0 | 110.8 | S8 R12 | S8-S10 PolarHBondContact O-N 2.88Å; S10-R12 PolarHBondContact O-N 3.41Å |
| 11 | E | 47.8 | Very low | 52.1 | Low | 170 Ų | 170 | 169.6 Ų | 169.6 | 79% | 0.794 | 84% | 0.844 | S | S | * | * | | | trans | -75.2 | 103.1 | 149.6 | -81.7 | 172.9 | 151.3 | 0 | 0 | 106.8 | | |
| 12 | R | 49.9 | Very low | 51.4 | Low | 219 Ų | 219 | 164.3 Ų | 164.3 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -111.5 | 123 | 157 | -73 | -178.9 | 85.4 | 172.9 | 5.4 | 107.2 | S10 H14 | S10-R12 PolarHBondContact O-N 3.41Å; R12-H14 PolarHBondContact O-N 2.89Å |
| 13 | P | 46.1 | Very low | 51 | Low | 124 Ų | 124 | 167.2 Ų | 167.2 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | | | trans | -69.8 | 117.8 | 166.6 | 28.2 | -28.6 | 0 | 0 | 0 | 107.1 | G15 | P13-G15 PolarHBondContact O-N 3.46Š|
| 14 | H | 48.7 | Very low | 50.1 | Low | 192 Ų | 192 | 159.4 Ų | 159.4 | 89% | 0.889 | 82% | 0.819 | S | S | * | * | | | trans | -69.9 | 91.1 | 168.5 | -80 | -75.2 | 0 | 0 | 0 | 107.7 | R12 | R12-H14 PolarHBondContact O-N 2.89Š|
| 15 | G | 43.6 | Very low | 49.4 | Very low | 67 Ų | 67 | 157.9 Ų | 157.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | -58.2 | 146.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P13 | P13-G15 PolarHBondContact O-N 3.46Š|
| 16 | Q | 51.4 | Low | 48.3 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -55.7 | 136.3 | 174.8 | -61 | 160.3 | 16.2 | 0 | 0 | 110.5 | | |
| 17 | Q | 50 | Low | 47.5 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | trans | -136.2 | 106.1 | 157.8 | -115 | 177.8 | 44.8 | 0 | 0 | 108.7 | | |
| 18 | V | 47 | Very low | 47.2 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | trans | -89.1 | 125.9 | 165.3 | 170.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 19 | H | 46.5 | Very low | 46.4 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | -160.1 | 126.2 | 157.6 | -99.8 | -46.8 | 0 | 0 | 0 | 104.3 | | |
| 20 | G | 42.8 | Very low | 45.9 | Very low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | cis | 130.8 | 127.9 | 35.5 | 0 | 0 | 0 | 0 | 0 | 105 | | |
| 21 | Q | 47.6 | Very low | 45.4 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | -75.6 | 168.5 | -164.9 | -65.7 | 164.5 | 17.7 | 0 | 0 | 114.5 | | |
| 22 | D | 41.9 | Very low | 45.5 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | 83.8 | 117.3 | 149.2 | -62.7 | -47.6 | 0 | 0 | 0 | 122.7 | | |
| 23 | Q | 46.6 | Very low | 45.3 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | | | trans | 168.3 | 133.5 | 133.4 | -95.2 | 168.7 | 46.3 | 0 | 0 | 107.6 | | |
| 24 | G | 39.8 | Very low | 45.6 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | cis | 167.4 | 144.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 25 | H | 40.7 | Very low | 45.8 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | | | trans | -77.1 | 150.2 | -172.7 | -166.4 | 79.6 | 0 | 0 | 0 | 112.9 | | |
| 26 | N | 40.8 | Very low | 46.3 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | trans | 139.1 | 139.2 | 137.9 | -78.6 | -61.5 | 0 | 0 | 0 | 116.1 | | |
| 27 | G | 42.7 | Very low | 46.4 | Very low | 77 Ų | 77 | 145.4 Ų | 145.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 150.6 | 62.5 | 160 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 28 | Q | 48.8 | Very low | 46.4 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -92.3 | 107.9 | 165.8 | -77.8 | 178.7 | -47.7 | 0 | 0 | 109.9 | | |
| 29 | E | 41.6 | Very low | 46.4 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -156.2 | 136.6 | 160.9 | -60.4 | -173 | 148.3 | 0 | 0 | 104 | | |
| 30 | E | 45.7 | Very low | 46.8 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | | | cis | -172.3 | 158.6 | 27.6 | -127.5 | -172.2 | 140 | 0 | 0 | 109.1 | | |
| 31 | Q | 43.8 | Very low | 47.1 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | trans | 80.1 | 116.6 | 147.1 | -68.8 | 170.2 | 27.1 | 0 | 0 | 121.1 | | |
| 32 | G | 49.9 | Very low | 47.4 | Very low | 76 Ų | 76 | 147.3 Ų | 147.3 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -73.9 | 151.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 33 | L | 46.5 | Very low | 47.8 | Very low | 169 Ų | 169 | 149 Ų | 149 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | -134.2 | 128.6 | 173.7 | -65.2 | 171.7 | 0 | 0 | 0 | 108.1 | | |
| 34 | S | 50.8 | Low | 48.5 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | -46.1 | 137.4 | 180 | 178.5 | 0 | 0 | 0 | 0 | 113.4 | E36 | S34-E36 VanDerWaalsContact C-N 3.25Å; S34-E36 PolarHBondContact O-N 3.09Å; S34-E36 PolarHBondContact OG-N 3.47Å |
| 35 | P | 54.4 | Low | 49.5 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -83.5 | 8.3 | 177.8 | 34.3 | -33.6 | 0 | 0 | 0 | 114 | | |
| 36 | E | 54.1 | Low | 50.6 | Low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -104.2 | 58.4 | -179.8 | -76.7 | -127.4 | 149.7 | 0 | 0 | 112.6 | S34 | S34-E36 VanDerWaalsContact C-N 3.25Å; S34-E36 PolarHBondContact O-N 3.09Å; S34-E36 PolarHBondContact OG-N 3.47Å |
| 37 | H | 53.7 | Low | 51.3 | Low | 146 Ų | 146 | 148.9 Ų | 148.9 | 68% | 0.676 | 79% | 0.785 | S | S | * | * | | | trans | -171 | 63.4 | 156.6 | -150.3 | -62.2 | 0 | 0 | 0 | 113.5 | | |
| 38 | V | 49.1 | Very low | 52 | Low | 147 Ų | 147 | 153.3 Ų | 153.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -132.7 | 81.6 | 160.7 | -170.5 | 0 | 0 | 0 | 0 | 109 | V40 | V38-V40 PolarHBondContact O-N 3.29Š|
| 39 | E | 47.5 | Very low | 52.4 | Low | 149 Ų | 149 | 148.5 Ų | 148.5 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | | | trans | -46 | 129.2 | 170.3 | -69.4 | -179.9 | 140 | 0 | 0 | 111.8 | Y41 | E39-Y41 PolarHBondContact O-N 3.31Š|
| 40 | V | 54.9 | Low | 53.1 | Low | 127 Ų | 127 | 149.3 Ų | 149.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | S | Bend | | 38.7 | 81.5 | 120.5 | -167.8 | 0 | 0 | 0 | 0 | 114.2 | V38 | V38-V40 PolarHBondContact O-N 3.29Š|
| 41 | Y | 48.1 | Very low | 53.5 | Low | 177 Ų | 177 | 149.8 Ų | 149.8 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | -170.9 | 85.5 | 130.3 | -115.2 | -78.6 | 0 | 0 | 0 | 107.3 | E39 R43 | E39-Y41 PolarHBondContact O-N 3.31Å; Y41-R43 HydrophobicContact CD1-CB 3.68Å; Y41-R43 PolarHBondContact O-N 3.47Å; Y41-R43 HydrophobicContact CE1-CG 3.98Å; Y41-R43 HydrophobicContact CE1-CB 4.44Å; Y41-R43 HydrophobicContact CD1-CG 3.73Å |
| 42 | E | 53.9 | Low | 53.9 | Low | 200 Ų | 200 | 153.4 Ų | 153.4 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | | | trans | -69.9 | 66.4 | 157 | -69.7 | -167.6 | 157.7 | 0 | 0 | 108.6 | T44 | E42-T44 PolarHBondContact O-N 3.32Š|
| 43 | R | 51.3 | Low | 54.4 | Low | 171 Ų | 171 | 161 Ų | 161 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | | | trans | -77.7 | 79.8 | 173.1 | -141.4 | 176 | -152.9 | -164.5 | 8.5 | 107.6 | Y41 H45 | Y41-R43 HydrophobicContact CD1-CB 3.68Å; Y41-R43 PolarHBondContact O-N 3.47Å; Y41-R43 HydrophobicContact CE1-CG 3.98Å; Y41-R43 HydrophobicContact CE1-CB 4.44Å; Y41-R43 HydrophobicContact CD1-CG 3.73Å; R43-H45 PolarHBondContact O-N 2.78Å |
| 44 | T | 61.2 | Low | 54.8 | Low | 115 Ų | 115 | 163.1 Ų | 163.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | 21 | 73.5 | 151.5 | 43.4 | 0 | 0 | 0 | 0 | 115.7 | E42 R46 | E42-T44 PolarHBondContact O-N 3.32Å; T44-R46 PolarHBondContact O-N 3.38Å |
| 45 | H | 59.3 | Low | 55.2 | Low | 189 Ų | 189 | 169.9 Ų | 169.9 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -76.4 | 71.3 | 163.8 | -76.7 | -73 | 0 | 0 | 0 | 109.3 | R43 G47 | R43-H45 PolarHBondContact O-N 2.78Å; H45-G47 PolarHBondContact O-N 2.83Å |
| 46 | R | 63.8 | Low | 55 | Low | 222 Ų | 222 | 167.6 Ų | 167.6 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -66.2 | 102.8 | 164.5 | -78.7 | -174 | 177.9 | -123.1 | 0.4 | 107.2 | T44 H48 | T44-R46 PolarHBondContact O-N 3.38Å; R46-H48 PolarHBondContact O-N 2.76Å |
| 47 | G | 57 | Low | 55.2 | Low | 72 Ų | 72 | 163 Ų | 163 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -43.8 | 120.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H45 S49 | H45-G47 PolarHBondContact O-N 2.83Å; G47-S49 PolarHBondContact O-N 3.36Å |
| 48 | H | 57.4 | Low | 55.3 | Low | 170 Ų | 170 | 166.7 Ų | 166.7 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -59.3 | 113.8 | 170.4 | -68.5 | -72.7 | 0 | 0 | 0 | 108.5 | R46 Y50 | R46-H48 PolarHBondContact O-N 2.76Å; H48-Y50 WeakPolarHBondContact O-CE1 3.18Å; H48-Y50 PolarHBondContact O-N 2.8Å; H48-Y50 WeakPolarHBondContact O-CD1 3.46Å |
| 49 | S | 56.7 | Low | 55.5 | Low | 93 Ų | 93 | 170.1 Ų | 170.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | -60.7 | 98.8 | 171.6 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | G47 H51 | G47-S49 PolarHBondContact O-N 3.36Å; S49-H51 VanDerWaalsContact C-N 3.29Å; S49-H51 PolarHBondContact O-N 3.37Å |
| 50 | Y | 55.3 | Low | 55.9 | Low | 202 Ų | 202 | 169.9 Ų | 169.9 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | | | trans | -66.2 | 95.8 | 169.8 | 16.9 | -92.7 | 0 | 0 | 0 | 106.9 | H48 R52 | H48-Y50 WeakPolarHBondContact O-CE1 3.18Å; H48-Y50 PolarHBondContact O-N 2.8Å; H48-Y50 WeakPolarHBondContact O-CD1 3.46Å; Y50-R52 PolarHBondContact O-N 3.42Å |
| 51 | H | 54.2 | Low | 55.9 | Low | 164 Ų | 164 | 167.8 Ų | 167.8 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | -57.2 | 90.6 | 165.1 | -67.9 | -50.6 | 0 | 0 | 0 | 108 | S49 R53 | S49-H51 VanDerWaalsContact C-N 3.29Å; S49-H51 PolarHBondContact O-N 3.37Å; H51-R53 PolarHBondContact O-N 3.42Å |
| 52 | R | 52.6 | Low | 56.5 | Low | 231 Ų | 231 | 165.7 Ų | 165.7 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | | | trans | -55.2 | 94.4 | 165.8 | -92.6 | -169.8 | -180 | -168.6 | 1.7 | 106.2 | Y50 R54 | Y50-R52 PolarHBondContact O-N 3.42Å; R52-R54 VanDerWaalsContact C-N 3.25Å; R52-R54 PolarHBondContact O-N 3.49Å |
| 53 | R | 59.8 | Low | 56.6 | Low | 236 Ų | 236 | 166 Ų | 166 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | -59 | 97.5 | 167.7 | -69.1 | -172.5 | -170.2 | -162.9 | 3.9 | 105.5 | H51 R55 | H51-R53 PolarHBondContact O-N 3.42Å; R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 3.36Å |
| 54 | R | 56.6 | Low | 57 | Low | 213 Ų | 213 | 162.3 Ų | 162.3 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -54.5 | 101.8 | 171.2 | -87 | -175.4 | 171.3 | -160.4 | -2.3 | 105.9 | R52 C56 | R52-R54 VanDerWaalsContact C-N 3.25Å; R52-R54 PolarHBondContact O-N 3.49Å; R54-C56 PolarHBondContact O-N 3.33Å |
| 55 | R | 58.9 | Low | 56.9 | Low | 242 Ų | 242 | 162.3 Ų | 162.3 | 91% | 0.913 | 72% | 0.717 | S | S | * | * | | | trans | -50.4 | 117 | 175.1 | -69.8 | -172.5 | 179.2 | -165.3 | 0.4 | 106.3 | R53 S57 | R53-R55 VanDerWaalsContact C-N 3.32Å; R53-R55 PolarHBondContact O-N 3.36Å; R55-S57 VanDerWaalsContact C-N 3.25Å; R55-S57 PolarHBondContact O-N 3.3Å |
| 56 | C | 49.7 | Very low | 56.7 | Low | 81 Ų | 81 | 163.2 Ų | 163.2 | 55% | 0.547 | 71% | 0.712 | S | S | . | * | | | trans | -59.9 | 95.1 | 175.4 | -72.2 | 0 | 0 | 0 | 0 | 107.1 | R54 R58 | R54-C56 PolarHBondContact O-N 3.33Å; C56-R58 PolarHBondContact O-N 3.46Å |
| 57 | S | 58.5 | Low | 56.2 | Low | 75 Ų | 75 | 163 Ų | 163 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | | | trans | -55 | 138.4 | 171.2 | 58.2 | 0 | 0 | 0 | 0 | 107.4 | R55 R59 R60 | R55-S57 VanDerWaalsContact C-N 3.25Å; R55-S57 PolarHBondContact O-N 3.3Å; S57-R59 PolarHBondContact O-N 3.48Å; S57-R60 PolarHBondContact O-N 3.39Å |
| 58 | R | 55.2 | Low | 56 | Low | 224 Ų | 224 | 168.6 Ų | 168.6 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -45 | -28.1 | 178 | -86 | 176.1 | 162.6 | 169.9 | -5.4 | 112.8 | C56 H62 | C56-R58 PolarHBondContact O-N 3.46Å; R58-H62 PolarHBondContact O-N 3.04Å |
| 59 | R | 53.8 | Low | 55.8 | Low | 219 Ų | 219 | 166.3 Ų | 166.3 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -59.5 | -39.2 | 173.2 | -109.7 | 176.4 | 168.4 | -175.8 | -3.6 | 114.6 | S57 R63 | S57-R59 PolarHBondContact O-N 3.48Å; R59-R63 PolarHBondContact O-N 3.33Å |
| 60 | R | 55.4 | Low | 55.6 | Low | 145 Ų | 145 | 172.2 Ų | 172.2 | 55% | 0.547 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -73.8 | -38.9 | -178.5 | -163.4 | 176.3 | 177.7 | -170.9 | -0.9 | 111.8 | S57 H62 R63 I64 | S57-R60 PolarHBondContact O-N 3.39Å; R60-H62 VanDerWaalsContact C-N 3.35Å; R60-H62 PolarHBondContact O-N 3.13Å; R60-R63 PolarHBondContact O-N 3.09Å; R60-I64 PolarHBondContact O-N 3.47Å |
| 61 | L | 55.8 | Low | 55.4 | Low | 82 Ų | 82 | 166.1 Ų | 166.1 | 43% | 0.429 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -60.8 | -43.6 | 174.5 | -69.3 | 172.7 | 0 | 0 | 0 | 111.3 | R63 I64 H65 | L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.96Å; L61-I64 PolarHBondContact O-N 3.09Å; L61-I64 VanDerWaalsContact O-N 3.13Å; L61-H65 PolarHBondContact O-CD2 2.87Å; L61-H65 PolarHBondContact O-N 2.77Å; L61-H65 VanDerWaalsContact O-N 3.09Å |
| 62 | H | 59.6 | Low | 55.2 | Low | 133 Ų | 133 | 161.7 Ų | 161.7 | 62% | 0.616 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -58.5 | -38 | 177.8 | -103.1 | 86.5 | 0 | 0 | 0 | 113.9 | R58 R60 R66 | R58-H62 PolarHBondContact O-N 3.04Å; R60-H62 VanDerWaalsContact C-N 3.35Å; R60-H62 PolarHBondContact O-N 3.13Å; H62-R66 PolarHBondContact O-N 3.13Å; H62-R66 VanDerWaalsContact O-N 3.09Å |
| 63 | R | 55.8 | Low | 55.1 | Low | 206 Ų | 206 | 160.2 Ų | 160.2 | 78% | 0.777 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -66.3 | -39.6 | 176.1 | -90.9 | -174.5 | -174.2 | 175.5 | 2.8 | 112.4 | R59 R60 L61 R66 R67 | R59-R63 PolarHBondContact O-N 3.33Å; R60-R63 PolarHBondContact O-N 3.09Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 PolarHBondContact O-N 2.96Å; R63-R66 PolarHBondContact O-N 2.86Å; R63-R67 VanDerWaalsContact O-N 3.09Å; R63-R67 PolarHBondContact O-N 3.44Å |
| 64 | I | 59.9 | Low | 54.6 | Low | 95 Ų | 95 | 159.3 Ų | 159.3 | 49% | 0.487 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.5 | -46 | -179.7 | -63 | 169 | 0 | 0 | 0 | 110.1 | R60 L61 R66 R67 R68 | R60-I64 PolarHBondContact O-N 3.47Å; L61-I64 PolarHBondContact O-N 3.09Å; L61-I64 VanDerWaalsContact O-N 3.13Å; I64-R66 PolarHBondContact O-N 2.99Å; I64-R67 PolarHBondContact O-N 3.36Å; I64-R68 PolarHBondContact O-N 3.43Å; I64-R68 VanDerWaalsContact O-N 3.13Å |
| 65 | H | 60.6 | Low | 54.3 | Low | 115 Ų | 115 | 159.4 Ų | 159.4 | 53% | 0.532 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -62.8 | -41.6 | 177.1 | -67.5 | -66.4 | 0 | 0 | 0 | 112.4 | L61 R67 R68 H69 | L61-H65 PolarHBondContact O-CD2 2.87Å; L61-H65 PolarHBondContact O-N 2.77Å; L61-H65 VanDerWaalsContact O-N 3.09Å; H65-R67 PolarHBondContact O-N 2.72Å; H65-R68 PolarHBondContact O-N 2.7Å; H65-H69 PolarHBondContact O-CD2 3.31Å; H65-H69 VanDerWaalsContact O-CD2 3.3Å; H65-H69 PolarHBondContact O-N 3.19Å |
| 66 | R | 53.2 | Low | 53.8 | Low | 207 Ų | 207 | 157.4 Ų | 157.4 | 78% | 0.781 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.9 | -38.1 | 177 | -85.9 | -166.5 | 171.3 | -167.1 | -0.3 | 113.4 | H62 R63 I64 | H62-R66 PolarHBondContact O-N 3.13Å; H62-R66 VanDerWaalsContact O-N 3.09Å; R63-R66 PolarHBondContact O-N 2.86Å; I64-R66 PolarHBondContact O-N 2.99Å |
| 67 | R | 53.4 | Low | 54 | Low | 219 Ų | 219 | 163.3 Ų | 163.3 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 176.9 | -90 | -173.8 | 177.8 | -175.3 | -0.6 | 112 | R63 I64 H65 H69 R70 | R63-R67 VanDerWaalsContact O-N 3.09Å; R63-R67 PolarHBondContact O-N 3.44Å; I64-R67 PolarHBondContact O-N 3.36Å; H65-R67 PolarHBondContact O-N 2.72Å; R67-H69 PolarHBondContact O-N 3.27Å; R67-H69 VanDerWaalsContact C-N 3.3Å; R67-R70 PolarHBondContact O-N 3.05Å |
| 68 | R | 52.9 | Low | 53.7 | Low | 188 Ų | 188 | 170 Ų | 170 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.8 | -31.3 | -178.2 | -130.7 | 176.1 | -176.6 | -163.9 | 0.8 | 112.9 | I64 H65 R70 S71 C72 | I64-R68 PolarHBondContact O-N 3.43Å; I64-R68 VanDerWaalsContact O-N 3.13Å; H65-R68 PolarHBondContact O-N 2.7Å; R68-R70 PolarHBondContact O-N 3.21Å; R68-S71 PolarHBondContact O-OG 3.26Å; R68-C72 PolarHBondContact O-SG 2.95Å |
| 69 | H | 54.2 | Low | 53.5 | Low | 122 Ų | 122 | 163.2 Ų | 163.2 | 57% | 0.565 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.8 | -16.5 | -176.5 | -88.8 | -103 | 0 | 0 | 0 | 115.7 | H65 R67 | H65-H69 PolarHBondContact O-CD2 3.31Å; H65-H69 VanDerWaalsContact O-CD2 3.3Å; H65-H69 PolarHBondContact O-N 3.19Å; R67-H69 PolarHBondContact O-N 3.27Å; R67-H69 VanDerWaalsContact C-N 3.3Å |
| 70 | R | 51.6 | Low | 53.4 | Low | 217 Ų | 217 | 156.7 Ų | 156.7 | 82% | 0.819 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76.9 | -34.5 | 179.8 | -81.4 | -162.3 | 172.7 | 177.9 | -0.9 | 113.2 | R67 R68 | R67-R70 PolarHBondContact O-N 3.05Å; R68-R70 PolarHBondContact O-N 3.21Å |
| 71 | S | 52.7 | Low | 53.1 | Low | 74 Ų | 74 | 159.9 Ų | 159.9 | 52% | 0.517 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -79.1 | -37.2 | 178.1 | 45.8 | 0 | 0 | 0 | 0 | 112.4 | R68 R73 R74 R75 | R68-S71 PolarHBondContact O-OG 3.26Å; S71-R73 PolarHBondContact O-N 2.74Å; S71-R74 PolarHBondContact O-N 2.93Å; S71-R75 PolarHBondContact O-N 3.4Å |
| 72 | C | 49.6 | Very low | 52.9 | Low | 72 Ų | 72 | 163 Ų | 163 | 49% | 0.486 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -64.8 | -35.9 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 113.4 | R68 R76 | R68-C72 PolarHBondContact O-SG 2.95Å; C72-R76 PolarHBondContact O-N 2.87Å |
| 73 | R | 49.3 | Very low | 52.5 | Low | 200 Ų | 200 | 167.5 Ų | 167.5 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.8 | -34.4 | 177.8 | -85 | -174.4 | 175.9 | -175.7 | 0.1 | 113.3 | S71 | S71-R73 PolarHBondContact O-N 2.74Å |
| 74 | R | 49.5 | Very low | 52.4 | Low | 216 Ų | 216 | 168.6 Ų | 168.6 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.8 | -40.5 | 177.8 | -79.3 | -175 | 175.7 | 178.3 | -1.5 | 112 | S71 R77 | S71-R74 PolarHBondContact O-N 2.93Å; R74-R77 PolarHBondContact O-N 3.31Å |
| 75 | R | 49.8 | Very low | 52.2 | Low | 215 Ų | 215 | 174.8 Ų | 174.8 | 81% | 0.811 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -66.6 | -36.9 | 178.3 | -88.2 | -173.8 | -175.9 | -172.6 | 1.5 | 113.3 | S71 R77 R78 | S71-R75 PolarHBondContact O-N 3.4Å; R75-R77 PolarHBondContact O-N 3.21Å; R75-R77 VanDerWaalsContact O-N 3.17Å; R75-R78 PolarHBondContact O-N 3.28Å |
| 76 | R | 50.1 | Low | 52 | Low | 201 Ų | 201 | 177 Ų | 177 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -63.5 | -20.1 | 179.3 | -109.4 | -174.1 | 179.8 | -163.4 | 1 | 114.5 | C72 C80 | C72-R76 PolarHBondContact O-N 2.87Å; R76-C80 PolarHBondContact O-SG 3.18Å |
| 77 | R | 52.8 | Low | 52.2 | Low | 204 Ų | 204 | 178.5 Ų | 178.5 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -78.3 | -19.5 | 179.4 | -72.3 | -170.8 | 178.9 | -165.1 | -0.8 | 114.2 | R74 R75 | R74-R77 PolarHBondContact O-N 3.31Å; R75-R77 PolarHBondContact O-N 3.21Å; R75-R77 VanDerWaalsContact O-N 3.17Å |
| 78 | R | 51.8 | Low | 52.3 | Low | 217 Ų | 217 | 179.9 Ų | 179.9 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -84.9 | -38.8 | -176 | -70.9 | -168.2 | 178.3 | -163.3 | -0.2 | 113 | R75 C80 | R75-R78 PolarHBondContact O-N 3.28Å; R78-C80 PolarHBondContact O-N 3.17Å |
| 79 | S | 52.5 | Low | 52.2 | Low | 80 Ų | 80 | 173.7 Ų | 173.7 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -72.8 | -27.3 | -179.7 | 38 | 0 | 0 | 0 | 0 | 113.8 | | |
| 80 | C | 50.9 | Low | 51.9 | Low | 82 Ų | 82 | 174.6 Ų | 174.6 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -76.3 | -19.9 | 178.8 | -55 | 0 | 0 | 0 | 0 | 114.2 | R76 R78 | R76-C80 PolarHBondContact O-SG 3.18Å; R78-C80 PolarHBondContact O-N 3.17Å |
| 81 | R | 49.2 | Very low | 51.8 | Low | 213 Ų | 213 | 174.8 Ų | 174.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -78.3 | -25.7 | -179.9 | -92.2 | -176.1 | 177.1 | 174.2 | -1.3 | 113.3 | | |
| 82 | H | 52.4 | Low | 51.7 | Low | 146 Ų | 146 | 177.9 Ų | 177.9 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -78.6 | -35.1 | -175 | -150.4 | 69.7 | 0 | 0 | 0 | 112.8 | R84 | H82-R84 PolarHBondContact O-N 3.5Å |
| 83 | R | 51.5 | Low | 51.7 | Low | 229 Ų | 229 | 184.9 Ų | 184.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -13.5 | -178.9 | -80.2 | -173.2 | -177.5 | -179.4 | 0.4 | 115.3 | | |
| 84 | R | 53.1 | Low | 51.8 | Low | 229 Ų | 229 | 186.8 Ų | 186.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 1.3 | -175.8 | -70.2 | -169.7 | -179.6 | -172.6 | -0.4 | 115.1 | H82 | H82-R84 PolarHBondContact O-N 3.5Š|
| 85 | R | 55.2 | Low | 52 | Low | 225 Ų | 225 | 187.3 Ų | 187.3 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -94.8 | -9.2 | -178.6 | -83.9 | -171.8 | -175.1 | -163.5 | 0.4 | 116.1 | R87 | R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.28Å |
| 86 | H | 56.2 | Low | 52 | Low | 162 Ų | 162 | 188.2 Ų | 188.2 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 22.9 | -175.6 | -76.4 | -72.6 | 0 | 0 | 0 | 115.9 | | |
| 87 | R | 57.3 | Low | 51.7 | Low | 237 Ų | 237 | 184.4 Ų | 184.4 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 25.8 | -178.5 | -73 | -164.3 | -176.6 | -178.3 | 1.1 | 115.6 | R85 | R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.28Å |
| 88 | R | 55.2 | Low | 51.5 | Low | 248 Ų | 248 | 186.4 Ų | 186.4 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -138 | 91.6 | 170 | -68.1 | -168.9 | -176.5 | -167.9 | 0.2 | 112.2 | | |
| 89 | G | 51.1 | Low | 51.3 | Low | 58 Ų | 58 | 187.4 Ų | 187.4 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | | | trans | 85.3 | 85.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R91 | G89-R91 PolarHBondContact O-N 2.8Š|
| 90 | C | 49.2 | Very low | 51 | Low | 141 Ų | 141 | 196.1 Ų | 196.1 | 95% | 0.953 | 85% | 0.846 | S | S | * | * | | | trans | -65.6 | 66.5 | 139.9 | -61.2 | 0 | 0 | 0 | 0 | 108 | T92 | C90-T92 PolarHBondContact O-N 3.12Å; C90-T92 VanDerWaalsContact O-N 3.12Å |
| 91 | R | 49.4 | Very low | 51.1 | Low | 221 Ų | 221 | 201.8 Ų | 201.8 | 83% | 0.834 | 86% | 0.86 | S | S | * | * | | | trans | -76.8 | 94.8 | 170.4 | -78.6 | -177.5 | 175.5 | 177.7 | -3.2 | 106.1 | G89 R93 | G89-R91 PolarHBondContact O-N 2.8Å; R91-R93 PolarHBondContact O-N 3.07Å; R91-R93 VanDerWaalsContact O-N 3.07Å |
| 92 | T | 49.5 | Very low | 51.2 | Low | 139 Ų | 139 | 201.2 Ų | 201.2 | 85% | 0.853 | 86% | 0.863 | S | S | * | * | | | trans | -15.2 | 105.2 | 145.2 | 35.9 | 0 | 0 | 0 | 0 | 112.5 | C90 | C90-T92 PolarHBondContact O-N 3.12Å; C90-T92 VanDerWaalsContact O-N 3.12Å |
| 93 | R | 50.3 | Low | 51.1 | Low | 219 Ų | 219 | 204.3 Ų | 204.3 | 83% | 0.826 | 87% | 0.874 | S | S | * | * | | | trans | -150.4 | 85.3 | 162.5 | -134.2 | 177.6 | 164.8 | -170.4 | -4.1 | 111.6 | R91 R95 | R91-R93 PolarHBondContact O-N 3.07Å; R91-R93 VanDerWaalsContact O-N 3.07Å; R93-R95 PolarHBondContact O-N 3.42Å |
| 94 | R | 51.3 | Low | 51.1 | Low | 241 Ų | 241 | 202.8 Ų | 202.8 | 91% | 0.909 | 87% | 0.874 | S | S | * | * | | | trans | -13.1 | 120.4 | 147.5 | -67.9 | 174.3 | 171.4 | -173.8 | -2.9 | 113 | | |
| 95 | R | 52.9 | Low | 50.9 | Low | 226 Ų | 226 | 201.2 Ų | 201.2 | 85% | 0.853 | 88% | 0.875 | S | S | * | * | | | trans | -138.2 | 96.9 | 139.6 | -71.6 | -165.3 | 176.4 | 178 | -2.4 | 108.8 | R93 | R93-R95 PolarHBondContact O-N 3.42Š|
| 96 | R | 50.5 | Low | 50.7 | Low | 235 Ų | 235 | 199.6 Ų | 199.6 | 89% | 0.887 | 88% | 0.877 | S | S | * | * | | | trans | -54.5 | 158 | 150.9 | -79.6 | 178.6 | 172 | -172.9 | -3.7 | 108.8 | | |
| 97 | C | 43.2 | Very low | 50.3 | Low | 121 Ų | 121 | 202.3 Ų | 202.3 | 82% | 0.818 | 89% | 0.886 | S | S | * | * | | | trans | 89.9 | 118.7 | 173.2 | -47.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 98 | R | 49.8 | Very low | 49.7 | Very low | 245 Ų | 245 | 199.6 Ų | 199.6 | 93% | 0.925 | 89% | 0.885 | S | S | * | * | | | | -136.2 | 131.8 | 52.6 | -75 | 168.8 | 174.3 | 155.2 | -3.2 | 113.3 | | |
| 99 | R | 46.5 | Very low | 49.3 | Very low | 238 Ų | 238 | 195.6 Ų | 195.6 | 90% | 0.898 | 88% | 0.881 | S | S | * | * | | | trans | -71.4 | 132 | 144.2 | -76.7 | 177.1 | 171.9 | 176.4 | -4.6 | 107.1 | | |
| 100 | H | 47.3 | Very low | 49.1 | Very low | 263 Ų | 263 | 208.1 Ų | 208.1 | 100% | 1.218 | 91% | 0.907 | S | S | * | * | | | trans | -159.7 | 0 | 138.5 | -106.1 | -71.1 | 0 | 0 | 0 | 107 | | |