| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33 | Very low | 32.7 | Very low | 221 Ų | 221 | 152.4 Ų | 152.4 | 100% | 1.089 | 83% | 0.828 | S | S | * | * | 0 | 85.2 | 0 | -73.4 | 170.2 | 172.5 | 0 | 0 | 106.9 | |||||
| 2 | E | 35 | Very low | 32.2 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | 85 | 135.3 | 62.7 | -73.8 | 175.2 | -143.6 | 0 | 0 | 111.6 | |||||
| 3 | Q | 33.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 69% | 0.687 | 83% | 0.832 | S | S | * | * | cis | -144.8 | 129.3 | 3.6 | -103.8 | 156.4 | 68 | 0 | 0 | 107.4 | ||||
| 4 | L | 33.4 | Very low | 33.8 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | 56.4 | 113.6 | 93.7 | -71.2 | 173.6 | 0 | 0 | 0 | 115.5 | |||||
| 5 | T | 29.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | trans | -143.5 | 121.1 | 151.3 | -60.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 6 | T | 31.4 | Very low | 33.5 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 72% | 0.718 | 84% | 0.835 | S | S | * | * | trans | -114.2 | 133.2 | -167.4 | -40 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 7 | L | 30.6 | Very low | 33.6 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -64.6 | 140.1 | 168.2 | -71.2 | 159.4 | 0 | 0 | 0 | 110.9 | ||||
| 8 | P | 33.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | trans | -83.9 | 141.4 | 160.4 | 32.6 | -29.9 | 0 | 0 | 0 | 111.2 | ||||
| 9 | R | 30.1 | Very low | 33.7 | Very low | 247 Ų | 247 | 151.5 Ų | 151.5 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | trans | -109.1 | 175.4 | 163.3 | -118.8 | -154.5 | 173.5 | 175.3 | -1.1 | 108.7 | ||||
| 10 | P | 41.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | trans | -93 | 168.1 | -139.7 | 39.3 | -39.1 | 0 | 0 | 0 | 114.4 | ||||
| 11 | G | 28.3 | Very low | 33.5 | Very low | 77 Ų | 77 | 149.5 Ų | 149.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | 155.7 | 97.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 12 | D | 26.6 | Very low | 33.6 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | trans | -158.8 | 119.6 | 149 | -140.1 | -14.8 | 0 | 0 | 0 | 110 | G14 | D12-G14 PolarHBondContact O-N 3.05Š| ||
| 13 | P | 46 | Very low | 33.5 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -93 | 89 | -176.3 | 34.6 | -31 | 0 | 0 | 0 | 111.1 | ||||
| 14 | G | 41.3 | Very low | 33.2 | Very low | 75 Ų | 75 | 146.8 Ų | 146.8 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | trans | -167 | 25.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 119 | D12 | D12-G14 PolarHBondContact O-N 3.05Š| ||
| 15 | A | 31.6 | Very low | 33.1 | Very low | 102 Ų | 102 | 148 Ų | 148 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -157.8 | 87.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | M | 30.1 | Very low | 33.1 | Very low | 191 Ų | 191 | 146 Ų | 146 | 94% | 0.941 | 82% | 0.822 | S | S | * | * | trans | -109 | 104.6 | 164.9 | -164.1 | 171.7 | -179.8 | 0 | 0 | 107.8 | ||||
| 17 | E | 36.6 | Very low | 32.8 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140 | 174.5 | -72.1 | -163.1 | 125 | 0 | 0 | 110.5 | W19 | E17-W19 PolarHBondContact O-N 3.16Š|
| 18 | P | 38.4 | Very low | 33 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 116.2 | 178.8 | 30.4 | -32.6 | 0 | 0 | 0 | 110.8 | A20 | P18-A20 PolarHBondContact O-N 2.98Š|
| 19 | W | 30.5 | Very low | 33.1 | Very low | 249 Ų | 249 | 150.8 Ų | 150.8 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 126.8 | 164 | -74.2 | -20.2 | 0 | 0 | 0 | 110.3 | E17 L21 | E17-W19 PolarHBondContact O-N 3.16Å; W19-L21 PolarHBondContact O-N 3.35Å |
| 20 | A | 31.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 143.2 Ų | 143.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P18 | P18-A20 PolarHBondContact O-N 2.98Š|
| 21 | L | 31.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78 | 134.3 | 167.3 | -72 | 168.2 | 0 | 0 | 0 | 110.1 | W19 T23 | W19-L21 PolarHBondContact O-N 3.35Å; L21-T23 PolarHBondContact O-N 3.28Å |
| 22 | P | 34.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 124 | 171 | 28.3 | -32.3 | 0 | 0 | 0 | 110.4 | W24 | P22-W24 PolarHBondContact O-N 2.88Š|
| 23 | T | 31.2 | Very low | 32.6 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 72% | 0.718 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 118.5 | 178 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | L21 H25 | L21-T23 PolarHBondContact O-N 3.28Å; T23-H25 PolarHBondContact O-N 2.94Å |
| 24 | W | 28.5 | Very low | 31.7 | Very low | 246 Ų | 246 | 148.1 Ų | 148.1 | 93% | 0.932 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.7 | 170.6 | -75.6 | 60.2 | 0 | 0 | 0 | 110.2 | P22 S26 | P22-W24 PolarHBondContact O-N 2.88Å; W24-S26 PolarHBondContact O-N 3.48Å |
| 25 | H | 31.5 | Very low | 31.8 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.796 | 84% | 0.838 | S | S | * | * | trans | -80.6 | 115.3 | 176 | -80 | -68.5 | 0 | 0 | 0 | 111.3 | T23 W27 | T23-H25 PolarHBondContact O-N 2.94Å; H25-W27 PolarHBondContact O-N 3.45Å | ||
| 26 | S | 29.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -69.9 | 117.2 | 170 | 48.1 | 0 | 0 | 0 | 0 | 111.2 | W24 | W24-S26 PolarHBondContact O-N 3.48Š| ||
| 27 | W | 25.4 | Very low | 31.5 | Very low | 252 Ų | 252 | 147.3 Ų | 147.3 | 96% | 0.955 | 83% | 0.829 | S | S | * | * | trans | -75 | 128.3 | 165.1 | -84.8 | 26 | 0 | 0 | 0 | 110 | H25 | H25-W27 PolarHBondContact O-N 3.45Š| ||
| 28 | T | 32.9 | Very low | 31.1 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | -137.5 | 148.3 | 163.5 | 45.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 29 | P | 36.1 | Very low | 30.6 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | -81.3 | 127 | -162.8 | -13.1 | 30.7 | 0 | 0 | 0 | 112.6 | R31 | P29-R31 PolarHBondContact O-N 3.32Š| ||
| 30 | G | 27.2 | Very low | 30.9 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -71.6 | 124.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 31 | R | 31 | Very low | 30.7 | Very low | 240 Ų | 240 | 136.7 Ų | 136.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -109.9 | 119.1 | 159.5 | -172.5 | 178.3 | -68.2 | -97 | 1.1 | 108.1 | P29 | P29-R31 PolarHBondContact O-N 3.32Š| ||
| 32 | G | 30.2 | Very low | 30.5 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -60.7 | 147.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 33 | G | 28.9 | Very low | 30.1 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -97.7 | 166.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 34 | E | 27.5 | Very low | 29.9 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -127.3 | 145.6 | 156.5 | -74.8 | -158.5 | 110.6 | 0 | 0 | 109.3 | ||||
| 35 | P | 42.8 | Very low | 29.9 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -102.7 | 167.7 | -173 | 38.8 | -35.5 | 0 | 0 | 0 | 115.2 | ||||
| 36 | S | 28.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 85.4 | 88.1 | 155.7 | -158 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 37 | S | 27.9 | Very low | 31.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -23.4 | 126.2 | 142.3 | 153.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 38 | A | 26.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -150.3 | 106.2 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | A | 29.5 | Very low | 31.6 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 158.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 40 | P | 36.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 122 Ų | 122 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | -132.5 | 157.4 | 126.6 | 35.8 | -26.7 | 0 | 0 | 0 | 113 | |||||
| 41 | S | 26.9 | Very low | 31.4 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -111.5 | 145.8 | -172.6 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 42 | I | 28.1 | Very low | 31.2 | Very low | 161 Ų | 161 | 122.3 Ų | 122.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | 72.1 | 145.3 | 144.6 | -65.8 | 163.4 | 0 | 0 | 0 | 118.2 | ||||
| 43 | A | 25.9 | Very low | 31 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | 71.8 | 140.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 44 | D | 26.9 | Very low | 30.9 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | cis | -144.6 | 161.5 | 6.9 | -102.7 | -40.1 | 0 | 0 | 0 | 112.8 | ||||
| 45 | T | 27.9 | Very low | 31 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -122.7 | 173.2 | 163.2 | -24.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 46 | P | 52.7 | Low | 30.1 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | -109.2 | -148.3 | -24.1 | -0.6 | 28.6 | 0 | 0 | 0 | 110 | ||||
| 47 | P | 49.7 | Very low | 30.1 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -139.5 | 177 | 10.8 | 42.5 | -21.1 | 0 | 0 | 0 | 119.7 | ||||
| 48 | A | 26.9 | Very low | 30 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -54.7 | 152.1 | -178 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 49 | A | 27.2 | Very low | 29.9 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | -165.5 | 115.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 50 | L | 28 | Very low | 29.6 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | 50.9 | 152 | 130 | -62.6 | 173.7 | 0 | 0 | 0 | 124.4 | |||||
| 51 | Q | 30.7 | Very low | 29.1 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 77.2 | 112.9 | 165.1 | -66.2 | 163.8 | 14.3 | 0 | 0 | 115.7 | ||||
| 52 | L | 26.8 | Very low | 29.2 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | 54 | 122.7 | 66.4 | -60.7 | 173.2 | 0 | 0 | 0 | 110.6 | |||||
| 53 | Q | 26.4 | Very low | 30.2 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 179.6 | 150.7 | 66 | -175.4 | 162.3 | -10.3 | 0 | 0 | 111.5 | |||||
| 54 | E | 26.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | 35.7 | 123.9 | 154.9 | -66.7 | 179.4 | 107 | 0 | 0 | 123.1 | ||||
| 55 | L | 28.1 | Very low | 30.8 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 70% | 0.696 | 76% | 0.759 | S | S | * | * | 52.9 | 121.9 | 97.8 | -52.8 | 173.1 | 0 | 0 | 0 | 114 | |||||
| 56 | R | 24.3 | Very low | 30.9 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | 173.5 | 162.2 | 57 | -160 | -160.9 | -78.9 | -146 | -3 | 110.6 | |||||
| 57 | S | 28.3 | Very low | 29.8 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 53% | 0.531 | 76% | 0.759 | S | S | . | * | trans | 52.4 | 119.3 | 146.8 | -80.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 58 | E | 26.5 | Very low | 29 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | 66.3 | 154.3 | 121.1 | -66.1 | 167.1 | 105.2 | 0 | 0 | 123 | |||||
| 59 | E | 23.2 | Very low | 29.2 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | 88.3 | 107.6 | 156.4 | -154.8 | 162.3 | 117.2 | 0 | 0 | 120.2 | ||||
| 60 | S | 24 | Very low | 29.5 | Very low | 98 Ų | 98 | 144 Ų | 144 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | trans | 28.4 | 127.5 | 134.9 | -163.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 61 | S | 26.8 | Very low | 30.6 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | 176.5 | 139.3 | 94.5 | -73.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 62 | K | 29 | Very low | 30.7 | Very low | 196 Ų | 196 | 140.4 Ų | 140.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -63.7 | 164.9 | 158.6 | -149.4 | 147 | 177.3 | 177.3 | 0 | 108.6 | ||||
| 63 | P | 48.4 | Very low | 30.8 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | -152.4 | -160.2 | 41.8 | 45.5 | -21.7 | 0 | 0 | 0 | 114.6 | ||||
| 64 | K | 32.6 | Very low | 30.9 | Very low | 185 Ų | 185 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -157.5 | 137.9 | -0.2 | -142.8 | 163.5 | -178.9 | -176.8 | 0 | 107 | ||||
| 65 | G | 32.6 | Very low | 31.1 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | 93.5 | 154.6 | 97.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 66 | D | 30.3 | Very low | 31 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | cis | -159.3 | 167 | -11.3 | -78.3 | -45.3 | 0 | 0 | 0 | 106 | ||||
| 67 | G | 28.4 | Very low | 32.6 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | -158.6 | 163.8 | 1.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 68 | S | 33.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 68.3 | 129.6 | 92.1 | -157.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 69 | S | 31.1 | Very low | 32.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -155.7 | 167 | 44 | -53.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 70 | R | 32.9 | Very low | 32.9 | Very low | 232 Ų | 232 | 126.2 Ų | 126.2 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | -116 | 176.8 | -179.4 | -150.9 | -179.6 | -174.6 | -176.5 | 2.5 | 109.7 | ||||
| 71 | P | 52.6 | Low | 33.1 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -155.6 | 157.1 | 92.7 | 37.9 | -18.4 | 0 | 0 | 0 | 118.4 | |||||
| 72 | V | 32.9 | Very low | 33.1 | Very low | 144 Ų | 144 | 129 Ų | 129 | 87% | 0.873 | 80% | 0.795 | S | S | * | * | trans | 52.5 | 137.9 | 143.3 | 179.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 73 | G | 28 | Very low | 32.9 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | cis | -177.9 | -179.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 74 | G | 28.3 | Very low | 31.9 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | -145.4 | 175 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 75 | T | 30.2 | Very low | 31.9 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -172 | 153.4 | 160 | 22.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 76 | D | 28 | Very low | 31.7 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -90.7 | -147 | -169.8 | -52.3 | -77.3 | 0 | 0 | 0 | 113.9 | ||||
| 77 | P | 57.7 | Low | 31.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | -124 | 162.3 | -120.7 | 37.6 | -17.9 | 0 | 0 | 0 | 115.5 | |||||
| 78 | E | 26.9 | Very low | 31.7 | Very low | 202 Ų | 202 | 125.4 Ų | 125.4 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | -163 | 156.9 | 166.8 | -132.3 | -177 | 141.6 | 0 | 0 | 114.6 | ||||
| 79 | G | 28.4 | Very low | 31.5 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 99.4 | 84.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 80 | A | 28.1 | Very low | 31.2 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -108.9 | 137.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 81 | E | 28 | Very low | 30.8 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -174.8 | 134.1 | 153.8 | -101.6 | -95.2 | 97.7 | 0 | 0 | 111.4 | ||||
| 82 | A | 28 | Very low | 29.5 | Very low | 76 Ų | 76 | 124 Ų | 124 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | trans | 48.8 | 135.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 83 | C | 24.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 122.3 Ų | 122.3 | 72% | 0.716 | 79% | 0.785 | S | S | * | * | -178.9 | 138 | 54 | -129.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 84 | L | 26.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | trans | 60.2 | 150.6 | 143.4 | -59.2 | 172.8 | 0 | 0 | 0 | 122.2 | ||||
| 85 | P | 33.5 | Very low | 29.1 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | -124.5 | 172.9 | 103.6 | 37.4 | -34.6 | 0 | 0 | 0 | 113.8 | |||||
| 86 | S | 27.5 | Very low | 29.8 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -146.2 | 132.8 | -179.2 | -69.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 87 | L | 31.1 | Very low | 29.7 | Very low | 172 Ų | 172 | 120.5 Ų | 120.5 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | 57.6 | 129.2 | 144.7 | -109.3 | 79.7 | 0 | 0 | 0 | 124.1 | ||||
| 88 | G | 27.1 | Very low | 28.1 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 157.9 | 140.8 | 138 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 89 | Q | 30.1 | Very low | 28 | Very low | 173 Ų | 173 | 119.7 Ų | 119.7 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | cis | -169.4 | 167.7 | -18.2 | -139.1 | -179 | 82.6 | 0 | 0 | 109.7 | ||||
| 90 | Q | 24.5 | Very low | 28.1 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 77.4 | 119.3 | 175.8 | -51 | -172.6 | -9.3 | 0 | 0 | 115.7 | ||||
| 91 | A | 25.8 | Very low | 28.7 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | 77 | 130.6 | 50.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 92 | S | 25.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 126.5 Ų | 126.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -158.1 | 135.4 | 36.2 | -47.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 93 | S | 26.3 | Very low | 28.6 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 19.6 | 134.1 | 135.7 | 63.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 94 | S | 26.6 | Very low | 29.1 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | -172.8 | 138.4 | 107.5 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 95 | G | 26.8 | Very low | 29.4 | Very low | 71 Ų | 71 | 137.3 Ų | 137.3 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -95.2 | -160.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 96 | P | 44.3 | Very low | 29.3 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | cis | -121.5 | 164.1 | 32 | 15 | 10.9 | 0 | 0 | 0 | 113.5 | ||||
| 97 | A | 26.6 | Very low | 29.3 | Very low | 92 Ų | 92 | 140.9 Ų | 140.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | 60.1 | 139.6 | 64.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 98 | C | 24.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | cis | -170.5 | 156.9 | -4.6 | -130.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 99 | Q | 25.2 | Very low | 29.2 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | 168.2 | 130.8 | 127 | -92.2 | 169.6 | 33.1 | 0 | 0 | 113.8 | |||||
| 100 | R | 30.3 | Very low | 29.2 | Very low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -91.7 | 168.6 | 152.7 | -64.3 | -176.7 | -168.9 | 148.4 | -0.7 | 108.7 | ||||
| 101 | P | 39.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | -139.3 | 176.8 | 92.5 | 22.2 | -0.3 | 0 | 0 | 0 | 111.9 | |||||
| 102 | E | 27.5 | Very low | 30 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | cis | -167.2 | 144.4 | -18.5 | -102.1 | 151 | -168.8 | 0 | 0 | 105.7 | ||||
| 103 | D | 27.1 | Very low | 30.1 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -125.7 | 129 | 163.3 | -84.3 | -50.9 | 0 | 0 | 0 | 107.3 | ||||
| 104 | E | 34.7 | Very low | 30.9 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -89.4 | 131 | -177.6 | -77.6 | -170.3 | 128.1 | 0 | 0 | 112.4 | ||||
| 105 | E | 32.9 | Very low | 31.4 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -93.8 | 143.1 | 172.5 | 179.2 | 177.6 | -149 | 0 | 0 | 110 | ||||
| 106 | V | 30.7 | Very low | 32 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | trans | -130.3 | 98.8 | 166.7 | -168.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 107 | E | 28 | Very low | 32.1 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 73% | 0.729 | 82% | 0.817 | S | S | * | * | trans | -57.2 | 147.5 | 162.9 | -78.2 | -163.7 | 124.5 | 0 | 0 | 111.5 | ||||
| 108 | A | 29.9 | Very low | 33.7 | Very low | 78 Ų | 78 | 160.8 Ų | 160.8 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | 171.4 | 116.1 | 105.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 109 | F | 26.8 | Very low | 35.1 | Very low | 210 Ų | 210 | 161.1 Ų | 161.1 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | 175.3 | 119.9 | 99.7 | -107.9 | -80 | 0 | 0 | 0 | 111.8 | |||||
| 110 | L | 30 | Very low | 36.7 | Very low | 141 Ų | 141 | 161.6 Ų | 161.6 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | -72.7 | 151.8 | 175.7 | -71 | 160.1 | 0 | 0 | 0 | 112.9 | ||||
| 111 | K | 30.6 | Very low | 38.4 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -151.7 | 81.5 | 142.8 | -119.9 | 173.4 | -174.1 | 179.5 | 0 | 114.8 | ||||
| 112 | E | 36.5 | Very low | 39.5 | Very low | 194 Ų | 194 | 155.6 Ų | 155.6 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | 47.6 | 106.7 | 143.3 | -59.1 | -171.1 | 171.1 | 0 | 0 | 121.3 | ||||
| 113 | G | 27.7 | Very low | 41.7 | Very low | 65 Ų | 65 | 151 Ų | 151 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | -147.1 | 150.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q115 | G113-Q115 PolarHBondContact O-N 2.9Š| ||
| 114 | P | 41.8 | Very low | 44.1 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.4 | -155.5 | 25.9 | -34.8 | 0 | 0 | 0 | 113.9 | ||
| 115 | Q | 37.3 | Very low | 46.3 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 125.1 | -177.6 | -138.5 | 162.8 | 29.6 | 0 | 0 | 110.6 | G113 L117 | G113-Q115 PolarHBondContact O-N 2.9Å; Q115-L117 PolarHBondContact O-N 3.45Å |
| 116 | W | 39.7 | Very low | 48.6 | Very low | 247 Ų | 247 | 140.1 Ų | 140.1 | 94% | 0.936 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131.8 | 167.6 | -76.7 | 86.2 | 0 | 0 | 0 | 109.4 | H118 | W116-H118 PolarHBondContact O-N 3.01Š|
| 117 | L | 45.9 | Very low | 50.8 | Low | 135 Ų | 135 | 139.1 Ų | 139.1 | 71% | 0.707 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 133.5 | -176.4 | -72.1 | 165.9 | 0 | 0 | 0 | 111 | Q115 D121 | Q115-L117 PolarHBondContact O-N 3.45Å; L117-D121 HydrophobicContact CB-CB 4.14Å; L117-D121 HydrophobicContact CD2-CB 4.04Å |
| 118 | H | 60.6 | Low | 53.5 | Low | 134 Ų | 134 | 135.9 Ų | 135.9 | 62% | 0.62 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 158.8 | -175.2 | -165.3 | 36.9 | 0 | 0 | 0 | 109.7 | W116 R120 D121 | W116-H118 PolarHBondContact O-N 3.01Å; H118-R120 PolarHBondContact O-N 2.88Å; H118-D121 PolarHBondContact N-OD2 2.73Å; H118-D121 WeakPolarHBondContact O-CB 3.45Å; H118-D121 PolarHBondContact O-N 3.11Å |
| 119 | V | 54.4 | Low | 56 | Low | 123 Ų | 123 | 135.3 Ų | 135.3 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55.8 | -26.5 | -173.4 | 178.3 | 0 | 0 | 0 | 0 | 113 | D121 F122 | V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 2.94Å; V119-F122 PolarHBondContact O-N 3.27Å |
| 120 | R | 58.7 | Low | 58.4 | Low | 200 Ų | 200 | 130.4 Ų | 130.4 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.4 | -24 | 174.7 | -67.8 | 177.4 | 63 | -176.1 | -1.4 | 114.3 | H118 R124 | H118-R120 PolarHBondContact O-N 2.88Å; R120-R124 PolarHBondContact O-N 3.39Å |
| 121 | D | 65.5 | Low | 61 | Low | 51 Ų | 51 | 132.2 Ų | 132.2 | 27% | 0.273 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.9 | -32.6 | 179.2 | -62.2 | -45.5 | 0 | 0 | 0 | 111.9 | L117 H118 V119 D123 R124 L125 | L117-D121 HydrophobicContact CB-CB 4.14Å; L117-D121 HydrophobicContact CD2-CB 4.04Å; H118-D121 PolarHBondContact N-OD2 2.73Å; H118-D121 WeakPolarHBondContact O-CB 3.45Å; H118-D121 PolarHBondContact O-N 3.11Å; V119-D121 VanDerWaalsContact C-N 3.3Å; V119-D121 PolarHBondContact O-N 2.94Å; D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 3.27Å; D121-R124 WeakPolarHBondContact O-CB 3.35Å; D121-R124 PolarHBondContact O-N 2.95Å; D121-L125 WeakPolarHBondContact O-CD1 3.15Å; D121-L125 PolarHBondContact O-N 3.4Å |
| 122 | F | 64.1 | Low | 63.7 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 69% | 0.689 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.6 | -43 | 172.6 | -167.9 | -94 | 0 | 0 | 0 | 110.9 | V119 R124 L125 L126 | V119-F122 PolarHBondContact O-N 3.27Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.47Å; F122-L125 PolarHBondContact O-N 3.44Å; F122-L126 VanDerWaalsContact O-CB 3.27Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 PolarHBondContact O-N 3.44Å |
| 123 | D | 72.4 | Confident | 66.1 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 40% | 0.396 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.6 | -30.3 | 179.1 | -142.7 | 39.6 | 0 | 0 | 0 | 112.2 | D121 R127 | D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 3.27Å; D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.82Å; D123-R127 PolarHBondContact O-NE 3.32Å; D123-R127 VanDerWaalsContact O-NE 3.07Å; D123-R127 PolarHBondContact O-NH2 3.07Å; D123-R127 IonicContact OD1-NH1 3.99Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 VanDerWaalsContact OD2-CZ 3.24Å; D123-R127 IonicContact OD2-NH1 3.77Å; D123-R127 PolarHBondContact OD2-NH1 2.92Å; D123-R127 IonicContact OD2-NH2 2.83Å; D123-R127 PolarHBondContact OD2-NH2 3.49Å |
| 124 | R | 78.3 | Confident | 68.9 | Low | 144 Ų | 144 | 122.9 Ų | 122.9 | 54% | 0.543 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.6 | -52.3 | 168.8 | 172.9 | -173.1 | -88.9 | -90 | 12.7 | 111.3 | R120 D121 F122 L126 R127 E128 | R120-R124 PolarHBondContact O-N 3.39Å; D121-R124 WeakPolarHBondContact O-CB 3.35Å; D121-R124 PolarHBondContact O-N 2.95Å; F122-R124 VanDerWaalsContact C-N 3.32Å; F122-R124 PolarHBondContact O-N 3.47Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.79Å; R124-R127 PolarHBondContact O-N 3.18Å; R124-R127 VanDerWaalsContact O-N 3.13Å; R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.22Å; R124-E128 IonicContact CZ-OE1 2.65Å; R124-E128 IonicContact NH1-OE1 3.19Å; R124-E128 PolarHBondContact NH1-OE1 3.14Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 2.98Å |
| 125 | L | 81 | Confident | 71.2 | Confident | 98 Ų | 98 | 122 Ų | 122 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -39 | 179.1 | -101.1 | 77.3 | 0 | 0 | 0 | 111.6 | D121 F122 E128 S129 | D121-L125 WeakPolarHBondContact O-CD1 3.15Å; D121-L125 PolarHBondContact O-N 3.4Å; F122-L125 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 3.36Å; L125-S129 WeakPolarHBondContact O-CB 3.32Å; L125-S129 PolarHBondContact O-N 2.85Å |
| 126 | L | 81 | Confident | 73.6 | Confident | 76 Ų | 76 | 116.8 Ų | 116.8 | 40% | 0.398 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 176.5 | -174.8 | 61.6 | 0 | 0 | 0 | 111.2 | F122 R124 Q130 | F122-L126 VanDerWaalsContact O-CB 3.27Å; F122-L126 WeakPolarHBondContact O-CB 3.34Å; F122-L126 PolarHBondContact O-N 3.44Å; R124-L126 VanDerWaalsContact C-N 3.28Å; R124-L126 PolarHBondContact O-N 2.79Å; L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.42Å; L126-Q130 PolarHBondContact O-N 2.79Å |
| 127 | R | 77.6 | Confident | 75.5 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | 174.9 | -75.7 | -177.2 | -77.1 | -98 | 1 | 113.1 | D123 R124 R131 | D123-R127 WeakPolarHBondContact O-CG 3.47Å; D123-R127 PolarHBondContact O-N 2.82Å; D123-R127 PolarHBondContact O-NE 3.32Å; D123-R127 VanDerWaalsContact O-NE 3.07Å; D123-R127 PolarHBondContact O-NH2 3.07Å; D123-R127 IonicContact OD1-NH1 3.99Å; D123-R127 IonicContact OD2-CZ 2.94Å; D123-R127 VanDerWaalsContact OD2-CZ 3.24Å; D123-R127 IonicContact OD2-NH1 3.77Å; D123-R127 PolarHBondContact OD2-NH1 2.92Å; D123-R127 IonicContact OD2-NH2 2.83Å; D123-R127 PolarHBondContact OD2-NH2 3.49Å; R124-R127 PolarHBondContact O-N 3.18Å; R124-R127 VanDerWaalsContact O-N 3.13Å; R127-R131 WeakPolarHBondContact O-CD 3.23Å; R127-R131 WeakPolarHBondContact O-CG 3.48Å; R127-R131 PolarHBondContact O-N 3.42Å |
| 128 | E | 82.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.9 | -41.5 | 176.2 | -73 | 172.6 | -168.8 | 0 | 0 | 111.3 | R124 L125 R131 E132 | R124-E128 HydrophobicContact CG-CG 4.44Å; R124-E128 WeakPolarHBondContact CG-OE1 3.22Å; R124-E128 IonicContact CZ-OE1 2.65Å; R124-E128 IonicContact NH1-OE1 3.19Å; R124-E128 PolarHBondContact NH1-OE1 3.14Å; R124-E128 WeakPolarHBondContact O-CG 3.36Å; R124-E128 PolarHBondContact O-N 2.98Å; L125-E128 PolarHBondContact O-N 3.36Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 3.46Å; E128-E132 PolarHBondContact O-N 3.18Å |
| 129 | S | 84.1 | Confident | 78 | Confident | 67 Ų | 67 | 111.8 Ų | 111.8 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.6 | -48.8 | 171 | 177.5 | 0 | 0 | 0 | 0 | 112 | L125 R131 E132 V133 | L125-S129 WeakPolarHBondContact O-CB 3.32Å; L125-S129 PolarHBondContact O-N 2.85Å; S129-R131 VanDerWaalsContact C-N 3.3Å; S129-R131 PolarHBondContact O-N 3Å; S129-E132 PolarHBondContact O-N 2.84Å; S129-E132 VanDerWaalsContact O-N 3.09Å; S129-V133 WeakPolarHBondContact O-CG2 3.4Å; S129-V133 PolarHBondContact O-N 3.14Å |
| 130 | Q | 76.9 | Confident | 79.4 | Confident | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | 176.3 | -74.6 | 171.7 | 3 | 0 | 0 | 112.8 | L126 L134 | L126-Q130 WeakPolarHBondContact O-CB 3.39Å; L126-Q130 WeakPolarHBondContact O-CG 3.42Å; L126-Q130 PolarHBondContact O-N 2.79Å; Q130-L134 WeakPolarHBondContact O-CG 3.48Å; Q130-L134 PolarHBondContact O-N 3.33Å; Q130-L134 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 83.8 | Confident | 80.2 | Confident | 178 Ų | 178 | 103.1 Ų | 103.1 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 173.8 | -73.7 | 168.4 | -174.5 | -159.3 | 1.6 | 112 | R127 E128 S129 L134 R135 | R127-R131 WeakPolarHBondContact O-CD 3.23Å; R127-R131 WeakPolarHBondContact O-CG 3.48Å; R127-R131 PolarHBondContact O-N 3.42Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 3.46Å; S129-R131 VanDerWaalsContact C-N 3.3Å; S129-R131 PolarHBondContact O-N 3Å; R131-L134 PolarHBondContact O-N 3Å; R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 3.41Å |
| 132 | E | 86.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 179.4 | -172 | 58.5 | -165.1 | 0 | 0 | 112 | E128 S129 L134 R135 L136 | E128-E132 PolarHBondContact O-N 3.18Å; S129-E132 PolarHBondContact O-N 2.84Å; S129-E132 VanDerWaalsContact O-N 3.09Å; E132-L134 PolarHBondContact O-N 2.99Å; E132-R135 VanDerWaalsContact CD-NE 3.26Å; E132-R135 WeakPolarHBondContact O-CB 3.47Å; E132-R135 PolarHBondContact O-N 3.04Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 3.91Å; E132-R135 IonicContact OE1-NE 3.05Å; E132-R135 PolarHBondContact OE1-NE 3.48Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.4Å; E132-R135 WeakPolarHBondContact OE2-CD 3.41Å; E132-R135 IonicContact OE2-CZ 3.85Å; E132-R135 IonicContact OE2-NE 3.91Å; E132-R135 PolarHBondContact OE2-NE 3.35Å; E132-R135 IonicContact OE2-NH2 2.76Å; E132-L136 HydrophobicContact CG-CD1 4.31Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 2.8Å |
| 133 | V | 88.9 | Confident | 81.3 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 111 | S129 R135 L136 Q137 | S129-V133 WeakPolarHBondContact O-CG2 3.4Å; S129-V133 PolarHBondContact O-N 3.14Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.23Å; V133-L136 PolarHBondContact O-N 2.78Å; V133-Q137 HydrophobicContact CG1-CG 4.47Å; V133-Q137 WeakPolarHBondContact O-CB 3.36Å; V133-Q137 WeakPolarHBondContact O-CG 3.41Å; V133-Q137 PolarHBondContact O-N 2.93Å |
| 134 | L | 85.3 | Confident | 81.2 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 174.7 | -72.8 | 169.7 | 0 | 0 | 0 | 112.5 | Q130 R131 E132 R138 | Q130-L134 WeakPolarHBondContact O-CG 3.48Å; Q130-L134 PolarHBondContact O-N 3.33Å; Q130-L134 VanDerWaalsContact O-N 3.13Å; R131-L134 PolarHBondContact O-N 3Å; E132-L134 PolarHBondContact O-N 2.99Å; L134-R138 VanDerWaalsContact O-CB 3.28Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 3.34Å |
| 135 | R | 90.1 | Very high | 80.5 | Confident | 114 Ų | 114 | 105 Ų | 105 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 174.6 | -161.7 | -169.7 | 70.3 | 66.4 | 5.4 | 111.2 | R131 E132 V133 R138 Q139 | R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 3.41Å; E132-R135 VanDerWaalsContact CD-NE 3.26Å; E132-R135 WeakPolarHBondContact O-CB 3.47Å; E132-R135 PolarHBondContact O-N 3.04Å; E132-R135 VanDerWaalsContact O-N 3.15Å; E132-R135 IonicContact OE1-CZ 3.91Å; E132-R135 IonicContact OE1-NE 3.05Å; E132-R135 PolarHBondContact OE1-NE 3.48Å; E132-R135 IonicContact OE1-NH2 2.78Å; E132-R135 PolarHBondContact OE1-NH2 3.4Å; E132-R135 WeakPolarHBondContact OE2-CD 3.41Å; E132-R135 IonicContact OE2-CZ 3.85Å; E132-R135 IonicContact OE2-NE 3.91Å; E132-R135 PolarHBondContact OE2-NE 3.35Å; E132-R135 IonicContact OE2-NH2 2.76Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 3.23Å; R135-R138 PolarHBondContact O-N 2.8Å; R135-Q139 PolarHBondContact O-N 2.9Å |
| 136 | L | 87.8 | Confident | 79.5 | Confident | 77 Ų | 77 | 110.8 Ų | 110.8 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -45.1 | 178.3 | -71.2 | 169.4 | 0 | 0 | 0 | 112 | E132 V133 R138 Q139 I140 | E132-L136 HydrophobicContact CG-CD1 4.31Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 2.8Å; V133-L136 PolarHBondContact O-N 2.78Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.45Å; L136-Q139 CarbonylContact O-C 3.59Å; L136-Q139 WeakPolarHBondContact O-CA 3.28Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.25Å; L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.95Å |
| 137 | Q | 79.3 | Confident | 78.3 | Confident | 118 Ų | 118 | 112.7 Ų | 112.7 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.1 | -40 | 172.6 | -79.1 | -177.5 | -19.6 | 0 | 0 | 111.6 | V133 I140 A141 | V133-Q137 HydrophobicContact CG1-CG 4.47Å; V133-Q137 WeakPolarHBondContact O-CB 3.36Å; V133-Q137 WeakPolarHBondContact O-CG 3.41Å; V133-Q137 PolarHBondContact O-N 2.93Å; Q137-I140 PolarHBondContact O-N 3.09Å; Q137-A141 WeakPolarHBondContact O-CB 3.31Å; Q137-A141 PolarHBondContact O-N 3.38Å |
| 138 | R | 80.1 | Confident | 76.8 | Confident | 187 Ų | 187 | 112.2 Ų | 112.2 | 71% | 0.706 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 173.7 | -169 | 177.5 | -176.6 | -163.4 | 1.4 | 112.4 | L134 R135 L136 L142 | L134-R138 VanDerWaalsContact O-CB 3.28Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 3.34Å; R135-R138 PolarHBondContact O-N 2.8Å; L136-R138 VanDerWaalsContact C-N 3.28Å; L136-R138 PolarHBondContact O-N 3.45Å; R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CD1 3.39Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.48Å |
| 139 | Q | 80.3 | Confident | 75 | Confident | 105 Ų | 105 | 114.7 Ų | 114.7 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 172.9 | -99.7 | -176.6 | -52.7 | 0 | 0 | 112.3 | R135 L136 L142 R143 | R135-Q139 PolarHBondContact O-N 2.9Å; L136-Q139 CarbonylContact O-C 3.59Å; L136-Q139 WeakPolarHBondContact O-CA 3.28Å; L136-Q139 WeakPolarHBondContact O-CB 3.49Å; L136-Q139 PolarHBondContact O-N 3.25Å; Q139-L142 PolarHBondContact O-N 3.32Å; Q139-R143 WeakPolarHBondContact O-CB 3.35Å; Q139-R143 PolarHBondContact O-N 3.32Å |
| 140 | I | 82.2 | Confident | 73.2 | Confident | 96 Ų | 96 | 117.5 Ų | 117.5 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -44.1 | 176.6 | -66.2 | 164.1 | 0 | 0 | 0 | 110.4 | L136 Q137 L142 R143 N144 | L136-I140 WeakPolarHBondContact O-CG1 3.46Å; L136-I140 PolarHBondContact O-N 2.95Å; Q137-I140 PolarHBondContact O-N 3.09Å; I140-L142 PolarHBondContact O-N 2.86Å; I140-R143 WeakPolarHBondContact O-CB 3.4Å; I140-R143 PolarHBondContact O-N 3.19Å; I140-R143 VanDerWaalsContact O-N 3.14Å; I140-N144 WeakPolarHBondContact O-CB 3.33Å; I140-N144 PolarHBondContact O-N 2.78Å; I140-N144 PolarHBondContact O-OD1 3Å |
| 141 | A | 75.3 | Confident | 71.9 | Confident | 46 Ų | 46 | 120.3 Ų | 120.3 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.3 | -42.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q137 R143 N144 Q145 | Q137-A141 WeakPolarHBondContact O-CB 3.31Å; Q137-A141 PolarHBondContact O-N 3.38Å; A141-R143 VanDerWaalsContact C-N 3.33Å; A141-N144 PolarHBondContact O-N 2.65Å; A141-Q145 WeakPolarHBondContact O-CB 3.25Å; A141-Q145 WeakPolarHBondContact O-CG 3.49Å; A141-Q145 PolarHBondContact O-N 3.13Å |
| 142 | L | 76.1 | Confident | 69.9 | Low | 94 Ų | 94 | 117.1 Ų | 117.1 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68 | -30.9 | 175.1 | -72.1 | 168.2 | 0 | 0 | 0 | 112.8 | R138 Q139 I140 R146 | R138-L142 HydrophobicContact CG-CD1 4.2Å; R138-L142 WeakPolarHBondContact O-CB 3.45Å; R138-L142 WeakPolarHBondContact O-CD1 3.39Å; R138-L142 VanDerWaalsContact O-CG 3.23Å; R138-L142 WeakPolarHBondContact O-CG 3.43Å; R138-L142 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 2.86Å; L142-R146 PolarHBondContact O-N 2.82Å |
| 143 | R | 78 | Confident | 67.8 | Low | 158 Ų | 158 | 119 Ų | 119 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69 | -48.4 | 171.8 | -177.6 | -178.1 | 169.2 | -158.8 | -13 | 111 | Q139 I140 A141 Q145 R146 E147 | Q139-R143 WeakPolarHBondContact O-CB 3.35Å; Q139-R143 PolarHBondContact O-N 3.32Å; I140-R143 WeakPolarHBondContact O-CB 3.4Å; I140-R143 PolarHBondContact O-N 3.19Å; I140-R143 VanDerWaalsContact O-N 3.14Å; A141-R143 VanDerWaalsContact C-N 3.33Å; R143-Q145 VanDerWaalsContact C-N 3.27Å; R143-Q145 PolarHBondContact O-N 3.46Å; R143-R146 CarbonylContact O-C 3.6Å; R143-R146 WeakPolarHBondContact O-CA 3.23Å; R143-R146 WeakPolarHBondContact O-CB 3.15Å; R143-R146 PolarHBondContact O-N 2.85Å; R143-E147 IonicContact CZ-OE1 3Å; R143-E147 IonicContact NE-OE1 3.94Å; R143-E147 PolarHBondContact NE-OE1 3.15Å; R143-E147 IonicContact NE-OE2 3.77Å; R143-E147 IonicContact NH2-OE1 2.95Å; R143-E147 PolarHBondContact NH2-OE1 3.35Å; R143-E147 IonicContact NH2-OE2 3.21Å; R143-E147 PolarHBondContact O-N 3.46Å |
| 144 | N | 70 | Confident | 65.3 | Low | 83 Ų | 83 | 120.3 Ų | 120.3 | 44% | 0.444 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.9 | -33.3 | -179.4 | -64.2 | 1.5 | 0 | 0 | 0 | 111.8 | I140 A141 R146 E147 T148 | I140-N144 WeakPolarHBondContact O-CB 3.33Å; I140-N144 PolarHBondContact O-N 2.78Å; I140-N144 PolarHBondContact O-OD1 3Å; A141-N144 PolarHBondContact O-N 2.65Å; N144-R146 VanDerWaalsContact C-N 3.35Å; N144-E147 PolarHBondContact O-N 2.97Å; N144-T148 PolarHBondContact O-N 2.75Å; N144-T148 PolarHBondContact O-OG1 2.76Å |
| 145 | Q | 64.2 | Low | 62.5 | Low | 131 Ų | 131 | 126.7 Ų | 126.7 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -28 | 170.6 | -73.9 | 177.5 | 20.4 | 0 | 0 | 113.6 | A141 R143 T148 | A141-Q145 WeakPolarHBondContact O-CB 3.25Å; A141-Q145 WeakPolarHBondContact O-CG 3.49Å; A141-Q145 PolarHBondContact O-N 3.13Å; R143-Q145 VanDerWaalsContact C-N 3.27Å; R143-Q145 PolarHBondContact O-N 3.46Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.37Å; Q145-T148 PolarHBondContact O-OG1 2.98Å |
| 146 | R | 60.2 | Low | 60.4 | Low | 218 Ų | 218 | 126.3 Ų | 126.3 | 82% | 0.823 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.5 | -28.6 | 171 | -92.3 | 179.7 | 166.1 | 171.6 | -3.9 | 113 | L142 R143 N144 T148 | L142-R146 PolarHBondContact O-N 2.82Å; R143-R146 CarbonylContact O-C 3.6Å; R143-R146 WeakPolarHBondContact O-CA 3.23Å; R143-R146 WeakPolarHBondContact O-CB 3.15Å; R143-R146 PolarHBondContact O-N 2.85Å; N144-R146 VanDerWaalsContact C-N 3.35Å; R146-T148 VanDerWaalsContact C-N 3.35Å |
| 147 | E | 55.2 | Low | 58.3 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 54% | 0.542 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -84.1 | -5.9 | 178.6 | -70.2 | 175.4 | 178.9 | 0 | 0 | 113.3 | R143 N144 | R143-E147 IonicContact CZ-OE1 3Å; R143-E147 IonicContact NE-OE1 3.94Å; R143-E147 PolarHBondContact NE-OE1 3.15Å; R143-E147 IonicContact NE-OE2 3.77Å; R143-E147 IonicContact NH2-OE1 2.95Å; R143-E147 PolarHBondContact NH2-OE1 3.35Å; R143-E147 IonicContact NH2-OE2 3.21Å; R143-E147 PolarHBondContact O-N 3.46Å; N144-E147 PolarHBondContact O-N 2.97Å |
| 148 | T | 46.1 | Very low | 56 | Low | 110 Ų | 110 | 126.3 Ų | 126.3 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 13.5 | -178.6 | 34.9 | 0 | 0 | 0 | 0 | 115.5 | N144 Q145 R146 | N144-T148 PolarHBondContact O-N 2.75Å; N144-T148 PolarHBondContact O-OG1 2.76Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.37Å; Q145-T148 PolarHBondContact O-OG1 2.98Å; R146-T148 VanDerWaalsContact C-N 3.35Å |
| 149 | L | 44.8 | Very low | 54.4 | Low | 140 Ų | 140 | 123 Ų | 123 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -89.3 | 128.9 | 167.9 | -81.7 | 164.4 | 0 | 0 | 0 | 110.8 | L151 | L149-L151 PolarHBondContact O-N 3Š|
| 150 | P | 45.7 | Very low | 52.5 | Low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.5 | -177.4 | -12.5 | 27.1 | 0 | 0 | 0 | 112.3 | ||
| 151 | L | 49.3 | Very low | 50.3 | Low | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 138 | 161.2 | -80.3 | 162.9 | 0 | 0 | 0 | 109.7 | L149 | L149-L151 PolarHBondContact O-N 3Š|
| 152 | P | 43.8 | Very low | 48.4 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 159.2 | -177.4 | 29.8 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 153 | P | 40.8 | Very low | 46.3 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 133.5 | -160.5 | 32.3 | -36.5 | 0 | 0 | 0 | 116.1 | ||
| 154 | S | 36.7 | Very low | 44 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 44.3 | 130.6 | 137 | 68.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 155 | W | 26.6 | Very low | 42.4 | Very low | 246 Ų | 246 | 138.6 Ų | 138.6 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | -149.3 | 169.3 | 119.8 | -119.9 | -34.6 | 0 | 0 | 0 | 110.5 | |||||
| 156 | P | 46.1 | Very low | 40.7 | Very low | 106 Ų | 106 | 136 Ų | 136 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | -110.1 | 177.4 | -116.3 | 42 | -29.6 | 0 | 0 | 0 | 114 | |||||
| 157 | P | 44.6 | Very low | 39.4 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92 | 151.4 | -159.4 | 35.7 | -34.9 | 0 | 0 | 0 | 115 | ||
| 158 | G | 29.7 | Very low | 38.8 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 116.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 159 | P | 46.8 | Very low | 38.6 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 138.8 | -174 | 31.4 | -34 | 0 | 0 | 0 | 112.4 | ||
| 160 | A | 40.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 130.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 161 | L | 37.2 | Very low | 37.7 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -137.7 | 153.7 | 161.2 | -92.9 | -177.8 | 0 | 0 | 0 | 112.2 | ||||
| 162 | Q | 34.9 | Very low | 37 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -72 | 155.5 | -164.6 | -65.5 | 162.3 | -11.5 | 0 | 0 | 113.1 | R164 | Q162-R164 PolarHBondContact O-N 3.15Š| ||
| 163 | A | 32.8 | Very low | 37.2 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -67.7 | 129.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 164 | R | 28.9 | Very low | 36.7 | Very low | 247 Ų | 247 | 123.2 Ų | 123.2 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -139.1 | 145.4 | 149.7 | -166 | 161 | -180 | 153.6 | -1.3 | 109.5 | Q162 | Q162-R164 PolarHBondContact O-N 3.15Š| ||
| 165 | A | 36.7 | Very low | 36.3 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -64.9 | 143.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 166 | G | 28.8 | Very low | 36.5 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 171.4 | 102.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 167 | A | 33.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -71.9 | 157.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 168 | P | 42.3 | Very low | 35.8 | Very low | 130 Ų | 130 | 122 Ų | 122 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | cis | -139.5 | -166.8 | 35.3 | 38.8 | -16.9 | 0 | 0 | 0 | 116.3 | ||||
| 169 | A | 40.5 | Very low | 35.7 | Very low | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -59.5 | 161.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 170 | P | 40 | Very low | 35.4 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -109.2 | 138.7 | 155.1 | 35.7 | -25.7 | 0 | 0 | 0 | 112.7 | ||||
| 171 | G | 31.6 | Very low | 35 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -90.4 | 161.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 172 | A | 35.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -75 | 169.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 173 | P | 47.3 | Very low | 34.8 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | -150.5 | -176.2 | 72.1 | 39.6 | -19.3 | 0 | 0 | 0 | 116.1 | |||||
| 174 | G | 31 | Very low | 34.7 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | 117.8 | 70.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 175 | E | 29.3 | Very low | 35.4 | Very low | 197 Ų | 197 | 123.3 Ų | 123.3 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | 83.5 | 99.2 | 66.7 | -168.2 | 175.1 | -147.9 | 0 | 0 | 114.1 | |||||
| 176 | A | 28.8 | Very low | 35.9 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -166.5 | 103.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 177 | T | 34.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 159.7 | 163.7 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 178 | P | 43.1 | Very low | 37 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -124.8 | 136 | 76.5 | 6.9 | 16.2 | 0 | 0 | 0 | 111.6 | |||||
| 179 | Q | 26.7 | Very low | 37.1 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | 82.6 | 119.9 | 67.8 | -170.2 | 156.6 | -28.1 | 0 | 0 | 113.4 | |||||
| 180 | E | 39.8 | Very low | 37.2 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -70.8 | 145.9 | 178.2 | -58.2 | 169.2 | 127.7 | 0 | 0 | 110.9 | ||||
| 181 | D | 32.2 | Very low | 37.8 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | 173.6 | 164.9 | 99.4 | -108 | -38.2 | 0 | 0 | 0 | 114.2 | |||||
| 182 | A | 34.6 | Very low | 39 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | 77 | 108.6 | 157 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 183 | D | 34.2 | Very low | 40.2 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | 86.4 | 143.1 | 125.9 | -68.9 | -28.1 | 0 | 0 | 0 | 124.1 | |||||
| 184 | N | 30.9 | Very low | 41.2 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 72% | 0.718 | S | S | * | * | trans | 76.4 | 106.2 | 164.4 | -77.8 | -69.2 | 0 | 0 | 0 | 120.5 | ||||
| 185 | L | 42.7 | Very low | 43.2 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 71% | 0.712 | 71% | 0.711 | S | S | * | * | trans | -42.3 | 150 | 139.2 | -119.5 | 72.7 | 0 | 0 | 0 | 111.1 | V187 | L185-V187 HydrophobicContact CD2-CB 3.98Å; L185-V187 HydrophobicContact CD2-CG2 3.64Å; L185-V187 HydrophobicContact CG-CG2 4.14Å | ||
| 186 | P | 46.3 | Very low | 45.5 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | -129.5 | 124.5 | 88.1 | 32.8 | -23.3 | 0 | 0 | 0 | 113.9 | |||||
| 187 | V | 45.3 | Very low | 48.1 | Very low | 81 Ų | 81 | 129 Ų | 129 | 49% | 0.491 | 69% | 0.686 | S | S | . | * | trans | -54.9 | 134.8 | 145.6 | 160 | 0 | 0 | 0 | 0 | 108 | L185 | L185-V187 HydrophobicContact CD2-CB 3.98Å; L185-V187 HydrophobicContact CD2-CG2 3.64Å; L185-V187 HydrophobicContact CG-CG2 4.14Å | ||
| 188 | I | 40.2 | Very low | 50.4 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 76% | 0.759 | 67% | 0.672 | S | S | * | * | trans | -164.7 | 120.9 | 134.8 | -103.8 | 154.8 | 0 | 0 | 0 | 110.5 | ||||
| 189 | L | 43.8 | Very low | 52.4 | Low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 66.5 | 87.2 | 160.1 | -60.3 | 171.1 | 0 | 0 | 0 | 118.9 | ||
| 190 | G | 44.5 | Very low | 55.4 | Low | 34 Ų | 34 | 123.8 Ų | 123.8 | 35% | 0.351 | 65% | 0.647 | S | S | . | * | trans | 179.9 | 19.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K194 | G190-K194 WeakPolarHBondContact O-CD 3.49Å; G190-K194 VanDerWaalsContact O-CG 3.32Å; G190-K194 WeakPolarHBondContact O-CG 3.46Å | ||
| 191 | E | 51.2 | Low | 57.8 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -89.3 | -36.7 | -168.8 | -56.4 | -153.8 | 128.8 | 0 | 0 | 116.7 | E193 K194 E195 | E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.82Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.16Å; E191-E195 PolarHBondContact O-N 3.2Å; E191-E195 VanDerWaalsContact O-N 3.11Å |
| 192 | P | 57.7 | Low | 60.5 | Low | 91 Ų | 91 | 119 Ų | 119 | 59% | 0.591 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.7 | -32.1 | -177.9 | 27.2 | -34.3 | 0 | 0 | 0 | 112.9 | Q196 | P192-Q196 WeakPolarHBondContact O-CB 3.36Å; P192-Q196 WeakPolarHBondContact O-CG 3.36Å; P192-Q196 PolarHBondContact O-N 2.85Å |
| 193 | E | 59.4 | Low | 63.1 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.7 | -33.8 | 174.3 | -75.1 | -163.5 | -159.1 | 0 | 0 | 112.7 | E191 R197 | E191-E193 VanDerWaalsContact C-N 3.35Å; E191-E193 PolarHBondContact O-N 2.82Å; E193-R197 WeakPolarHBondContact O-CB 3.21Å; E193-R197 WeakPolarHBondContact O-CD 3.44Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 IonicContact OE2-CZ 2.66Å; E193-R197 IonicContact OE2-NE 2.79Å; E193-R197 IonicContact OE2-NH2 3.84Å; E193-R197 PolarHBondContact OE2-NH2 3.45Å |
| 194 | K | 68.6 | Low | 65.9 | Low | 134 Ų | 134 | 114.3 Ų | 114.3 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.1 | -45.4 | 177.7 | -71.5 | 174.8 | -173.7 | 176.4 | 0 | 110 | G190 E191 R197 V198 | G190-K194 WeakPolarHBondContact O-CD 3.49Å; G190-K194 VanDerWaalsContact O-CG 3.32Å; G190-K194 WeakPolarHBondContact O-CG 3.46Å; E191-K194 PolarHBondContact O-N 3.33Å; E191-K194 VanDerWaalsContact O-N 3.16Å; K194-R197 PolarHBondContact O-N 2.81Å; K194-V198 WeakPolarHBondContact O-CB 3.44Å; K194-V198 VanDerWaalsContact O-CG2 3.29Å; K194-V198 WeakPolarHBondContact O-CG2 3.22Å; K194-V198 PolarHBondContact O-N 3.07Å |
| 195 | E | 73.3 | Confident | 68.9 | Low | 126 Ų | 126 | 111.6 Ų | 111.6 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.9 | -44.4 | 175.7 | -68 | -176.7 | 153 | 0 | 0 | 112.3 | E191 R197 V198 Q199 | E191-E195 PolarHBondContact O-N 3.2Å; E191-E195 VanDerWaalsContact O-N 3.11Å; E195-R197 PolarHBondContact O-N 2.8Å; E195-V198 PolarHBondContact O-N 3.37Å; E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.05Å |
| 196 | Q | 76.9 | Confident | 71.2 | Confident | 139 Ų | 139 | 107.8 Ų | 107.8 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.3 | -42 | 175 | -77.7 | -175.2 | -14.5 | 0 | 0 | 112.7 | P192 Q199 Q200 | P192-Q196 WeakPolarHBondContact O-CB 3.36Å; P192-Q196 WeakPolarHBondContact O-CG 3.36Å; P192-Q196 PolarHBondContact O-N 2.85Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 PolarHBondContact O-N 3.31Å |
| 197 | R | 84.1 | Confident | 73.6 | Confident | 156 Ų | 156 | 108.5 Ų | 108.5 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 175.2 | -73 | 170 | -165.7 | -132.1 | 10.4 | 111.7 | E193 K194 E195 Q200 L201 | E193-R197 WeakPolarHBondContact O-CB 3.21Å; E193-R197 WeakPolarHBondContact O-CD 3.44Å; E193-R197 WeakPolarHBondContact O-CG 3.33Å; E193-R197 PolarHBondContact O-N 2.98Å; E193-R197 IonicContact OE2-CZ 2.66Å; E193-R197 IonicContact OE2-NE 2.79Å; E193-R197 IonicContact OE2-NH2 3.84Å; E193-R197 PolarHBondContact OE2-NH2 3.45Å; K194-R197 PolarHBondContact O-N 2.81Å; E195-R197 PolarHBondContact O-N 2.8Å; R197-Q200 PolarHBondContact O-N 2.8Å; R197-L201 WeakPolarHBondContact O-CB 3.39Å; R197-L201 VanDerWaalsContact O-CG 3.22Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.24Å |
| 198 | V | 83.4 | Confident | 75.9 | Confident | 75 Ų | 75 | 111.1 Ų | 111.1 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.6 | -51.2 | 174.8 | 169 | 0 | 0 | 0 | 0 | 110.4 | K194 E195 Q200 L201 E202 | K194-V198 WeakPolarHBondContact O-CB 3.44Å; K194-V198 VanDerWaalsContact O-CG2 3.29Å; K194-V198 WeakPolarHBondContact O-CG2 3.22Å; K194-V198 PolarHBondContact O-N 3.07Å; E195-V198 PolarHBondContact O-N 3.37Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.13Å; V198-L201 CarbonylContact O-C 3.51Å; V198-L201 PolarHBondContact O-N 2.77Å; V198-E202 HydrophobicContact CG1-CG 4.29Å; V198-E202 WeakPolarHBondContact O-CB 3.4Å; V198-E202 VanDerWaalsContact O-CG 3.31Å; V198-E202 WeakPolarHBondContact O-CG 3.35Å; V198-E202 PolarHBondContact O-N 2.73Å |
| 199 | Q | 85.4 | Confident | 78.5 | Confident | 126 Ų | 126 | 112.2 Ų | 112.2 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.4 | -37.7 | 177.5 | -71.1 | 179 | 16.1 | 0 | 0 | 112.8 | E195 Q196 E202 S203 | E195-Q199 WeakPolarHBondContact O-CG 3.44Å; E195-Q199 PolarHBondContact O-N 3.05Å; Q196-Q199 PolarHBondContact O-N 3.44Å; Q199-E202 PolarHBondContact O-N 2.88Å; Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 3.3Å |
| 200 | Q | 88 | Confident | 81 | Confident | 116 Ų | 116 | 110.8 Ų | 110.8 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 175 | -177.8 | 171.3 | -11 | 0 | 0 | 111.2 | Q196 R197 V198 E202 S203 E204 | Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 PolarHBondContact O-N 3.31Å; R197-Q200 PolarHBondContact O-N 2.8Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.13Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.94Å; Q200-S203 WeakPolarHBondContact O-CB 3.3Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.14Å; Q200-S203 PolarHBondContact O-OG 2.87Å; Q200-E204 PolarHBondContact O-N 3.44Å |
| 201 | L | 90.3 | Very high | 83.5 | Confident | 105 Ų | 105 | 115.8 Ų | 115.8 | 55% | 0.55 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.4 | -36.1 | 176.8 | -72.4 | 169.4 | 0 | 0 | 0 | 112.2 | R197 V198 E204 L205 | R197-L201 WeakPolarHBondContact O-CB 3.39Å; R197-L201 VanDerWaalsContact O-CG 3.22Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.24Å; V198-L201 CarbonylContact O-C 3.51Å; V198-L201 PolarHBondContact O-N 2.77Å; L201-E204 PolarHBondContact O-N 3.38Å; L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å |
| 202 | E | 89.3 | Confident | 85.4 | Confident | 118 Ų | 118 | 113.9 Ų | 113.9 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 172 | -75.3 | 177 | 163.9 | 0 | 0 | 111.8 | V198 Q199 Q200 E204 L205 S206 | V198-E202 HydrophobicContact CG1-CG 4.29Å; V198-E202 WeakPolarHBondContact O-CB 3.4Å; V198-E202 VanDerWaalsContact O-CG 3.31Å; V198-E202 WeakPolarHBondContact O-CG 3.35Å; V198-E202 PolarHBondContact O-N 2.73Å; Q199-E202 PolarHBondContact O-N 2.88Å; Q200-E202 VanDerWaalsContact C-N 3.32Å; Q200-E202 PolarHBondContact O-N 2.94Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 2.78Å; E202-L205 PolarHBondContact O-N 3.47Å; E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 3.44Å |
| 203 | S | 88.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 115 Ų | 115 | 33% | 0.329 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 175.2 | 91.4 | 0 | 0 | 0 | 0 | 111.9 | Q199 Q200 K207 | Q199-S203 WeakPolarHBondContact O-CB 3.47Å; Q199-S203 PolarHBondContact O-N 3.3Å; Q200-S203 WeakPolarHBondContact O-CB 3.3Å; Q200-S203 PolarHBondContact O-N 3.36Å; Q200-S203 VanDerWaalsContact O-N 3.14Å; Q200-S203 PolarHBondContact O-OG 2.87Å; S203-K207 WeakPolarHBondContact O-CD 3.41Å; S203-K207 VanDerWaalsContact O-CG 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 2.98Å |
| 204 | E | 93.3 | Very high | 89 | Confident | 86 Ų | 86 | 112.9 Ų | 112.9 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -73.3 | -43.5 | 176.1 | -73.6 | -170.6 | -161.4 | 0 | 0 | 111.6 | Q200 L201 E202 S206 K207 K208 | Q200-E204 PolarHBondContact O-N 3.44Å; L201-E204 PolarHBondContact O-N 3.38Å; E202-E204 VanDerWaalsContact C-N 3.32Å; E202-E204 PolarHBondContact O-N 2.78Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.14Å; E204-K207 PolarHBondContact O-N 2.93Å; E204-K208 WeakPolarHBondContact O-CB 3.22Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.23Å |
| 205 | L | 93.9 | Very high | 90.3 | Very high | 94 Ų | 94 | 111.3 Ų | 111.3 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 170.9 | -86.4 | 166.9 | 0 | 0 | 0 | 111.4 | L201 E202 K208 R209 | L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 WeakPolarHBondContact O-CG 3.46Å; L201-L205 PolarHBondContact O-N 2.87Å; E202-L205 PolarHBondContact O-N 3.47Å; L205-K208 PolarHBondContact O-N 3.45Å; L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.01Å |
| 206 | S | 92.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 110 Ų | 110 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.1 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | E202 E204 K208 R209 K210 | E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.46Å; E202-S206 PolarHBondContact O-N 3.44Å; E204-S206 VanDerWaalsContact C-N 3.28Å; E204-S206 PolarHBondContact O-N 3.14Å; S206-K208 PolarHBondContact O-N 3.47Å; S206-R209 PolarHBondContact O-N 2.81Å; S206-K210 WeakPolarHBondContact O-CG 3.44Å; S206-K210 PolarHBondContact O-N 2.81Å |
| 207 | K | 95.3 | Very high | 92.2 | Very high | 138 Ų | 138 | 108.5 Ų | 108.5 | 60% | 0.6 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 173.9 | -70 | 160.5 | -173.3 | 160.2 | 0 | 112 | S203 E204 K211 | S203-K207 WeakPolarHBondContact O-CD 3.41Å; S203-K207 VanDerWaalsContact O-CG 3.25Å; S203-K207 WeakPolarHBondContact O-CG 3.48Å; S203-K207 PolarHBondContact O-N 2.98Å; E204-K207 PolarHBondContact O-N 2.93Å; K207-K211 WeakPolarHBondContact O-CB 3.21Å; K207-K211 PolarHBondContact O-N 3.19Å |
| 208 | K | 95 | Very high | 92.8 | Very high | 136 Ų | 136 | 105.1 Ų | 105.1 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.1 | -42.8 | 178.4 | -67.4 | -80.9 | -178.7 | 166.4 | 0 | 111.4 | E204 L205 S206 K211 C212 | E204-K208 WeakPolarHBondContact O-CB 3.22Å; E204-K208 WeakPolarHBondContact O-CG 3.4Å; E204-K208 PolarHBondContact O-N 3.23Å; L205-K208 PolarHBondContact O-N 3.45Å; S206-K208 PolarHBondContact O-N 3.47Å; K208-K211 PolarHBondContact O-N 2.82Å; K208-C212 PolarHBondContact O-N 3.31Å; K208-C212 PolarHBondContact O-SG 3.41Å |
| 209 | R | 94.9 | Very high | 93.4 | Very high | 171 Ų | 171 | 104.1 Ų | 104.1 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.1 | -51.6 | 173.4 | -75.5 | 173.5 | -163.1 | -85 | 3.8 | 111 | L205 S206 K211 C212 E213 | L205-R209 WeakPolarHBondContact O-CB 3.48Å; L205-R209 WeakPolarHBondContact O-CG 3.37Å; L205-R209 PolarHBondContact O-N 3.01Å; S206-R209 PolarHBondContact O-N 2.81Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.15Å; R209-C212 PolarHBondContact O-N 3.19Å; R209-C212 VanDerWaalsContact O-N 3.15Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 PolarHBondContact O-N 3.42Å |
| 210 | K | 96.1 | Very high | 94 | Very high | 141 Ų | 141 | 104.7 Ų | 104.7 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59 | -37.7 | 175.7 | -70.3 | -179.9 | -179.5 | -174.8 | 0 | 112.8 | S206 S214 | S206-K210 WeakPolarHBondContact O-CG 3.44Å; S206-K210 PolarHBondContact O-N 2.81Å; K210-S214 WeakPolarHBondContact O-CB 3.05Å; K210-S214 PolarHBondContact O-N 3.33Å |
| 211 | K | 95.9 | Very high | 94.5 | Very high | 139 Ų | 139 | 105.2 Ų | 105.2 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.4 | -42 | 175.1 | -171.8 | 171 | -177.6 | 174.6 | 0 | 112.2 | K207 K208 R209 S214 L215 | K207-K211 WeakPolarHBondContact O-CB 3.21Å; K207-K211 PolarHBondContact O-N 3.19Å; K208-K211 PolarHBondContact O-N 2.82Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.15Å; K211-S214 PolarHBondContact O-N 3.11Å; K211-L215 HydrophobicContact CG-CD1 4.22Å; K211-L215 WeakPolarHBondContact O-CB 3.38Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.43Å; K211-L215 PolarHBondContact O-N 2.85Å |
| 212 | C | 92.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 106 Ų | 106 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 174 | -69 | 0 | 0 | 0 | 0 | 111.2 | K208 R209 S214 L215 E216 | K208-C212 PolarHBondContact O-N 3.31Å; K208-C212 PolarHBondContact O-SG 3.41Å; R209-C212 PolarHBondContact O-N 3.19Å; R209-C212 VanDerWaalsContact O-N 3.15Å; C212-S214 PolarHBondContact O-N 3.23Å; C212-L215 CarbonylContact O-C 3.47Å; C212-L215 PolarHBondContact O-N 3.48Å; C212-L215 VanDerWaalsContact O-N 3.14Å; C212-E216 WeakPolarHBondContact O-CB 3.47Å; C212-E216 PolarHBondContact O-N 3Å |
| 213 | E | 96 | Very high | 95.2 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 177.5 | -171.6 | 172.8 | -146 | 0 | 0 | 112 | R209 E216 Q217 | R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 PolarHBondContact O-N 3.42Å; E213-E216 PolarHBondContact O-N 3.44Å; E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.97Å |
| 214 | S | 95.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 111 Ų | 111 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 113 | K210 K211 C212 E216 Q217 E218 | K210-S214 WeakPolarHBondContact O-CB 3.05Å; K210-S214 PolarHBondContact O-N 3.33Å; K211-S214 PolarHBondContact O-N 3.11Å; C212-S214 PolarHBondContact O-N 3.23Å; S214-E216 VanDerWaalsContact C-N 3.33Å; S214-Q217 PolarHBondContact O-N 2.98Å; S214-E218 WeakPolarHBondContact O-CB 3.27Å; S214-E218 PolarHBondContact O-N 3.31Å |
| 215 | L | 95.9 | Very high | 95.8 | Very high | 102 Ų | 102 | 113 Ų | 113 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -30.8 | 176.8 | -72.3 | 171.2 | 0 | 0 | 0 | 111.9 | K211 C212 E218 A219 | K211-L215 HydrophobicContact CG-CD1 4.22Å; K211-L215 WeakPolarHBondContact O-CB 3.38Å; K211-L215 VanDerWaalsContact O-CG 3.3Å; K211-L215 WeakPolarHBondContact O-CG 3.43Å; K211-L215 PolarHBondContact O-N 2.85Å; C212-L215 CarbonylContact O-C 3.47Å; C212-L215 PolarHBondContact O-N 3.48Å; C212-L215 VanDerWaalsContact O-N 3.14Å; L215-E218 WeakPolarHBondContact O-CB 3.19Å; L215-E218 PolarHBondContact O-N 2.87Å; L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.36Å |
| 216 | E | 94.7 | Very high | 95.9 | Very high | 99 Ų | 99 | 111.9 Ų | 111.9 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.1 | -40.2 | 174.1 | -166.1 | -177.1 | 172.6 | 0 | 0 | 111 | C212 E213 S214 A219 R220 | C212-E216 WeakPolarHBondContact O-CB 3.47Å; C212-E216 PolarHBondContact O-N 3Å; E213-E216 PolarHBondContact O-N 3.44Å; S214-E216 VanDerWaalsContact C-N 3.33Å; E216-A219 PolarHBondContact O-N 2.65Å; E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 2.75Å; E216-R220 IonicContact OE1-NE 3.9Å; E216-R220 PolarHBondContact OE1-NE 3.31Å; E216-R220 IonicContact OE1-NH2 2.76Å; E216-R220 PolarHBondContact OE1-NH2 3.03Å |
| 217 | Q | 96.6 | Very high | 96.1 | Very high | 107 Ų | 107 | 113.8 Ų | 113.8 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 171.1 | -70.5 | -179.3 | 22.4 | 0 | 0 | 112.5 | E213 S214 R220 K221 | E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.97Å; S214-Q217 PolarHBondContact O-N 2.98Å; Q217-R220 PolarHBondContact O-N 3.49Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.4Å; Q217-K221 PolarHBondContact O-N 3.07Å |
| 218 | E | 96.3 | Very high | 96.2 | Very high | 85 Ų | 85 | 111.8 Ų | 111.8 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 172.7 | -178.4 | 79 | -166.1 | 0 | 0 | 111 | S214 L215 K221 K222 | S214-E218 WeakPolarHBondContact O-CB 3.27Å; S214-E218 PolarHBondContact O-N 3.31Å; L215-E218 WeakPolarHBondContact O-CB 3.19Å; L215-E218 PolarHBondContact O-N 2.87Å; E218-K221 PolarHBondContact O-N 3.25Å; E218-K222 HydrophobicContact CG-CD 4.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.88Å; E218-K222 PolarHBondContact OE1-NZ 2.8Å |
| 219 | A | 96.6 | Very high | 96.4 | Very high | 54 Ų | 54 | 109.2 Ų | 109.2 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L215 E216 K221 K222 Q223 | L215-A219 WeakPolarHBondContact O-CB 3.37Å; L215-A219 PolarHBondContact O-N 3.36Å; E216-A219 PolarHBondContact O-N 2.65Å; A219-K221 VanDerWaalsContact C-N 3.27Å; A219-K221 PolarHBondContact O-N 3.03Å; A219-K222 PolarHBondContact O-N 3.44Å; A219-Q223 WeakPolarHBondContact O-CB 3.48Å; A219-Q223 PolarHBondContact O-N 3.35Å |
| 220 | R | 97 | Very high | 96.5 | Very high | 138 Ų | 138 | 105.7 Ų | 105.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -25 | 175.8 | -69.4 | 172 | -174.5 | -161.7 | 6 | 113.6 | E216 Q217 R224 | E216-R220 WeakPolarHBondContact O-CB 3.5Å; E216-R220 VanDerWaalsContact O-CG 3.22Å; E216-R220 WeakPolarHBondContact O-CG 3.36Å; E216-R220 PolarHBondContact O-N 3.38Å; E216-R220 IonicContact OE1-CZ 2.75Å; E216-R220 IonicContact OE1-NE 3.9Å; E216-R220 PolarHBondContact OE1-NE 3.31Å; E216-R220 IonicContact OE1-NH2 2.76Å; E216-R220 PolarHBondContact OE1-NH2 3.03Å; Q217-R220 PolarHBondContact O-N 3.49Å; R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 PolarHBondContact O-NE 2.84Å |
| 221 | K | 97.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.4 | -46.5 | 171 | -75.7 | 171.3 | -176.7 | 176.1 | 0 | 110.9 | Q217 E218 A219 R224 R225 | Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.4Å; Q217-K221 PolarHBondContact O-N 3.07Å; E218-K221 PolarHBondContact O-N 3.25Å; A219-K221 VanDerWaalsContact C-N 3.27Å; A219-K221 PolarHBondContact O-N 3.03Å; K221-R224 PolarHBondContact O-N 3.43Å; K221-R225 PolarHBondContact O-N 2.86Å; K221-R225 VanDerWaalsContact O-N 3.07Å |
| 222 | K | 96.9 | Very high | 96.6 | Very high | 122 Ų | 122 | 102.5 Ų | 102.5 | 53% | 0.53 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.2 | -73.6 | 175.2 | -178.5 | 161.9 | 0 | 111.9 | E218 A219 R225 C226 | E218-K222 HydrophobicContact CG-CD 4.48Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CE 3.32Å; E218-K222 IonicContact OE1-NZ 3.88Å; E218-K222 PolarHBondContact OE1-NZ 2.8Å; A219-K222 PolarHBondContact O-N 3.44Å; K222-R225 CarbonylContact O-C 3.6Å; K222-R225 WeakPolarHBondContact O-CA 3.22Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 PolarHBondContact O-N 3.48Å; K222-R225 VanDerWaalsContact O-N 3.11Å; K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.15Å |
| 223 | Q | 97.5 | Very high | 96.9 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.2 | -50.6 | 175.5 | 177.8 | 171.2 | -13 | 0 | 0 | 111.8 | A219 R225 C226 E227 | A219-Q223 WeakPolarHBondContact O-CB 3.48Å; A219-Q223 PolarHBondContact O-N 3.35Å; Q223-R225 PolarHBondContact O-N 3.26Å; Q223-C226 WeakPolarHBondContact O-CA 3.47Å; Q223-C226 WeakPolarHBondContact O-CB 3.48Å; Q223-C226 PolarHBondContact O-N 2.88Å; Q223-E227 HydrophobicContact CG-CG 4.41Å; Q223-E227 VanDerWaalsContact CG-OE1 3.25Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.25Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.41Å |
| 224 | R | 97.9 | Very high | 96.9 | Very high | 155 Ų | 155 | 104.7 Ų | 104.7 | 59% | 0.585 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -33.8 | 175.2 | -78.6 | -179.1 | -72.4 | -174.5 | -0.3 | 113 | R220 K221 E228 | R220-R224 PolarHBondContact O-N 3.45Å; R220-R224 PolarHBondContact O-NE 2.84Å; K221-R224 PolarHBondContact O-N 3.43Å; R224-E228 WeakPolarHBondContact O-CB 3.23Å; R224-E228 PolarHBondContact O-N 3.03Å |
| 225 | R | 97.7 | Very high | 97 | Very high | 128 Ų | 128 | 106.6 Ų | 106.6 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 174.2 | -172.9 | 55.2 | 176.3 | 178.4 | 2.8 | 112.5 | K221 K222 Q223 E228 L229 | K221-R225 PolarHBondContact O-N 2.86Å; K221-R225 VanDerWaalsContact O-N 3.07Å; K222-R225 CarbonylContact O-C 3.6Å; K222-R225 WeakPolarHBondContact O-CA 3.22Å; K222-R225 WeakPolarHBondContact O-CB 3.38Å; K222-R225 PolarHBondContact O-N 3.48Å; K222-R225 VanDerWaalsContact O-N 3.11Å; Q223-R225 PolarHBondContact O-N 3.26Å; R225-E228 IonicContact CZ-OE2 3.83Å; R225-E228 IonicContact NH1-OE2 2.81Å; R225-E228 PolarHBondContact NH1-OE2 3.37Å; R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.44Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.8Å |
| 226 | C | 94.9 | Very high | 97.1 | Very high | 70 Ų | 70 | 103.7 Ų | 103.7 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 171.2 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | K222 Q223 E228 L229 E230 | K222-C226 PolarHBondContact O-N 2.8Å; K222-C226 PolarHBondContact O-SG 3.15Å; Q223-C226 WeakPolarHBondContact O-CA 3.47Å; Q223-C226 WeakPolarHBondContact O-CB 3.48Å; Q223-C226 PolarHBondContact O-N 2.88Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.5Å; C226-L229 PolarHBondContact O-N 3.47Å; C226-L229 VanDerWaalsContact O-N 3.15Å; C226-E230 WeakPolarHBondContact O-CB 3.42Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 2.87Å |
| 227 | E | 97.6 | Very high | 97.2 | Very high | 96 Ų | 96 | 104.1 Ų | 104.1 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 177.5 | -70.2 | 163.6 | -179.8 | 0 | 0 | 112 | Q223 L231 | Q223-E227 HydrophobicContact CG-CG 4.41Å; Q223-E227 VanDerWaalsContact CG-OE1 3.25Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.25Å; Q223-E227 PolarHBondContact NE2-OE1 2.98Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.41Å; E227-L231 PolarHBondContact O-N 3.3Å |
| 228 | E | 97.9 | Very high | 97.2 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 174.8 | -174.4 | 175.2 | -144.3 | 0 | 0 | 112.8 | R224 R225 C226 L231 Q232 | R224-E228 WeakPolarHBondContact O-CB 3.23Å; R224-E228 PolarHBondContact O-N 3.03Å; R225-E228 IonicContact CZ-OE2 3.83Å; R225-E228 IonicContact NH1-OE2 2.81Å; R225-E228 PolarHBondContact NH1-OE2 3.37Å; C226-E228 VanDerWaalsContact C-N 3.3Å; C226-E228 PolarHBondContact O-N 3.5Å; E228-L231 PolarHBondContact O-N 3.07Å; E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 3.33Å |
| 229 | L | 97.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 175.7 | -71.9 | 170 | 0 | 0 | 0 | 112.2 | R225 C226 Q232 L233 | R225-L229 HydrophobicContact CG-CD1 4.19Å; R225-L229 WeakPolarHBondContact O-CB 3.44Å; R225-L229 VanDerWaalsContact O-CG 3.23Å; R225-L229 WeakPolarHBondContact O-CG 3.4Å; R225-L229 PolarHBondContact O-N 2.8Å; C226-L229 PolarHBondContact O-N 3.47Å; C226-L229 VanDerWaalsContact O-N 3.15Å; L229-Q232 PolarHBondContact O-N 3.26Å; L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 PolarHBondContact O-N 3.47Å |
| 230 | E | 96.8 | Very high | 97.2 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 171.9 | -78.2 | -178.8 | -153 | 0 | 0 | 112 | C226 L233 R234 | C226-E230 WeakPolarHBondContact O-CB 3.42Å; C226-E230 WeakPolarHBondContact O-CG 3.41Å; C226-E230 PolarHBondContact O-N 2.87Å; E230-L233 PolarHBondContact O-N 3.47Å; E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE2-NH1 3.6Å |
| 231 | L | 97.7 | Very high | 97.3 | Very high | 116 Ų | 116 | 103.7 Ų | 103.7 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 174.6 | -175.8 | 64 | 0 | 0 | 0 | 111.2 | E227 E228 R234 Q235 | E227-L231 PolarHBondContact O-N 3.3Å; E228-L231 PolarHBondContact O-N 3.07Å; L231-R234 PolarHBondContact O-N 3.02Å; L231-Q235 PolarHBondContact O-N 3.38Å |
| 232 | Q | 97.6 | Very high | 97.3 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174.9 | -72.1 | 177.7 | -1.8 | 0 | 0 | 112 | E228 L229 Q235 A236 | E228-Q232 WeakPolarHBondContact O-CG 3.44Å; E228-Q232 PolarHBondContact O-N 3.33Å; L229-Q232 PolarHBondContact O-N 3.26Å; Q232-Q235 PolarHBondContact O-N 3.32Å; Q232-A236 WeakPolarHBondContact O-CB 3.12Å; Q232-A236 PolarHBondContact O-N 3.39Å |
| 233 | L | 97.5 | Very high | 97.3 | Very high | 102 Ų | 102 | 103.3 Ų | 103.3 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.4 | -178.8 | 61.9 | 0 | 0 | 0 | 111.8 | L229 E230 Q235 A236 Q237 | L229-L233 WeakPolarHBondContact O-CB 3.27Å; L229-L233 PolarHBondContact O-N 3.47Å; E230-L233 PolarHBondContact O-N 3.47Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 2.9Å; L233-A236 PolarHBondContact O-N 2.92Å; L233-Q237 WeakPolarHBondContact O-CB 3.38Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.41Å; L233-Q237 PolarHBondContact O-N 2.9Å |
| 234 | R | 97.3 | Very high | 97.3 | Very high | 140 Ų | 140 | 102.7 Ų | 102.7 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.7 | -76.9 | -177 | 179.1 | 107.6 | 1 | 112.3 | E230 L231 Q237 N238 | E230-R234 WeakPolarHBondContact O-CG 3.39Å; E230-R234 PolarHBondContact O-N 2.96Å; E230-R234 IonicContact OE2-NH1 3.6Å; L231-R234 PolarHBondContact O-N 3.02Å; R234-Q237 PolarHBondContact O-N 3.46Å; R234-N238 VanDerWaalsContact O-CG 3.31Å; R234-N238 PolarHBondContact O-N 2.93Å; R234-N238 PolarHBondContact O-ND2 3.16Å |
| 235 | Q | 97.8 | Very high | 97.3 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 175.5 | -176.8 | 176.4 | -18.2 | 0 | 0 | 111 | L231 Q232 L233 Q237 N238 E239 | L231-Q235 PolarHBondContact O-N 3.38Å; Q232-Q235 PolarHBondContact O-N 3.32Å; L233-Q235 VanDerWaalsContact C-N 3.35Å; L233-Q235 PolarHBondContact O-N 2.9Å; Q235-Q237 VanDerWaalsContact C-N 3.3Å; Q235-Q237 PolarHBondContact O-N 2.91Å; Q235-N238 PolarHBondContact O-N 3.33Å; Q235-N238 VanDerWaalsContact O-N 3.16Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 2.92Å; Q235-E239 WeakPolarHBondContact O-CG 3.21Å; Q235-E239 PolarHBondContact O-N 3.01Å |
| 236 | A | 97.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 99.4 Ų | 99.4 | 34% | 0.339 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q232 L233 N240 | Q232-A236 WeakPolarHBondContact O-CB 3.12Å; Q232-A236 PolarHBondContact O-N 3.39Å; L233-A236 PolarHBondContact O-N 2.92Å; A236-N240 VanDerWaalsContact O-CB 3.31Å; A236-N240 WeakPolarHBondContact O-CB 3.24Å; A236-N240 PolarHBondContact O-N 2.89Å; A236-N240 PolarHBondContact O-ND2 2.8Å |
| 237 | Q | 97.1 | Very high | 97.4 | Very high | 109 Ų | 109 | 101.3 Ų | 101.3 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 172.7 | -76.8 | 171.3 | -17.3 | 0 | 0 | 112.1 | L233 R234 Q235 N240 A241 | L233-Q237 WeakPolarHBondContact O-CB 3.38Å; L233-Q237 VanDerWaalsContact O-CG 3.27Å; L233-Q237 WeakPolarHBondContact O-CG 3.41Å; L233-Q237 PolarHBondContact O-N 2.9Å; R234-Q237 PolarHBondContact O-N 3.46Å; Q235-Q237 VanDerWaalsContact C-N 3.3Å; Q235-Q237 PolarHBondContact O-N 2.91Å; Q237-N240 PolarHBondContact O-N 2.85Å; Q237-A241 WeakPolarHBondContact O-CB 3.31Å; Q237-A241 PolarHBondContact O-N 3.37Å |
| 238 | N | 97.1 | Very high | 97.4 | Very high | 119 Ų | 119 | 100.8 Ų | 100.8 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -39.4 | 177 | -69.9 | -19.2 | 0 | 0 | 0 | 112.3 | R234 Q235 A241 R242 | R234-N238 VanDerWaalsContact O-CG 3.31Å; R234-N238 PolarHBondContact O-N 2.93Å; R234-N238 PolarHBondContact O-ND2 3.16Å; Q235-N238 PolarHBondContact O-N 3.33Å; Q235-N238 VanDerWaalsContact O-N 3.16Å; N238-A241 PolarHBondContact O-N 3.29Å; N238-R242 PolarHBondContact O-N 2.78Å |
| 239 | E | 97.8 | Very high | 97.4 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.6 | -73.1 | 173.6 | -167.5 | 0 | 0 | 111.3 | Q235 A241 R242 L243 | Q235-E239 WeakPolarHBondContact CG-OE1 3.46Å; Q235-E239 PolarHBondContact NE2-OE1 2.92Å; Q235-E239 WeakPolarHBondContact O-CG 3.21Å; Q235-E239 PolarHBondContact O-N 3.01Å; E239-A241 PolarHBondContact O-N 2.9Å; E239-R242 PolarHBondContact O-N 2.86Å; E239-L243 WeakPolarHBondContact O-CG 3.45Å; E239-L243 PolarHBondContact O-N 2.83Å |
| 240 | N | 95.4 | Very high | 97.4 | Very high | 101 Ų | 101 | 103.4 Ų | 103.4 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 172.6 | -80.5 | -20.3 | 0 | 0 | 0 | 112.5 | A236 Q237 R242 L243 V244 | A236-N240 VanDerWaalsContact O-CB 3.31Å; A236-N240 WeakPolarHBondContact O-CB 3.24Å; A236-N240 PolarHBondContact O-N 2.89Å; A236-N240 PolarHBondContact O-ND2 2.8Å; Q237-N240 PolarHBondContact O-N 2.85Å; N240-R242 VanDerWaalsContact C-N 3.34Å; N240-R242 PolarHBondContact O-N 3.03Å; N240-L243 PolarHBondContact O-N 2.96Å; N240-V244 WeakPolarHBondContact O-CG2 3.44Å; N240-V244 PolarHBondContact O-N 3.41Å |
| 241 | A | 97.8 | Very high | 97.3 | Very high | 61 Ų | 61 | 102.1 Ų | 102.1 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q237 N238 E239 L243 V244 E245 | Q237-A241 WeakPolarHBondContact O-CB 3.31Å; Q237-A241 PolarHBondContact O-N 3.37Å; N238-A241 PolarHBondContact O-N 3.29Å; E239-A241 PolarHBondContact O-N 2.9Å; A241-L243 PolarHBondContact O-N 3.48Å; A241-V244 PolarHBondContact O-N 3.04Å; A241-E245 PolarHBondContact O-N 3.09Å; A241-E245 VanDerWaalsContact O-N 3.11Å |
| 242 | R | 97.9 | Very high | 97.3 | Very high | 151 Ų | 151 | 98.4 Ų | 98.4 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63 | -41 | 175.1 | -161.1 | -163.8 | 83.6 | -157 | 3.9 | 112.2 | N238 E239 N240 E245 E246 | N238-R242 PolarHBondContact O-N 2.78Å; E239-R242 PolarHBondContact O-N 2.86Å; N240-R242 VanDerWaalsContact C-N 3.34Å; N240-R242 PolarHBondContact O-N 3.03Å; R242-E245 PolarHBondContact O-N 3.19Å; R242-E246 WeakPolarHBondContact O-CB 3.5Å; R242-E246 PolarHBondContact O-N 2.8Å |
| 243 | L | 97.5 | Very high | 97.3 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 177.6 | -72.7 | 172.1 | 0 | 0 | 0 | 112.1 | E239 N240 A241 E246 N247 | E239-L243 WeakPolarHBondContact O-CG 3.45Å; E239-L243 PolarHBondContact O-N 2.83Å; N240-L243 PolarHBondContact O-N 2.96Å; A241-L243 PolarHBondContact O-N 3.48Å; L243-E246 PolarHBondContact O-N 3.09Å; L243-N247 WeakPolarHBondContact O-CB 3.37Å; L243-N247 PolarHBondContact O-N 2.67Å |
| 244 | V | 97.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 98.6 Ų | 98.6 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | N240 A241 N247 S248 | N240-V244 WeakPolarHBondContact O-CG2 3.44Å; N240-V244 PolarHBondContact O-N 3.41Å; A241-V244 PolarHBondContact O-N 3.04Å; V244-N247 PolarHBondContact O-N 3.26Å; V244-S248 WeakPolarHBondContact O-CB 3.35Å; V244-S248 PolarHBondContact O-N 3.32Å |
| 245 | E | 97.4 | Very high | 97.3 | Very high | 148 Ų | 148 | 95.7 Ų | 95.7 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 175.4 | -172.7 | 177.8 | -165.4 | 0 | 0 | 111.8 | A241 R242 S248 R249 | A241-E245 PolarHBondContact O-N 3.09Å; A241-E245 VanDerWaalsContact O-N 3.11Å; R242-E245 PolarHBondContact O-N 3.19Å; E245-S248 PolarHBondContact O-N 3.49Å; E245-R249 WeakPolarHBondContact O-CB 3.42Å; E245-R249 PolarHBondContact O-N 3.43Å |
| 246 | E | 97.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 96.3 Ų | 96.3 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 175.5 | 179.7 | 151.9 | -133.5 | 0 | 0 | 112.4 | R242 L243 R249 L250 | R242-E246 WeakPolarHBondContact O-CB 3.5Å; R242-E246 PolarHBondContact O-N 2.8Å; L243-E246 PolarHBondContact O-N 3.09Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-NH2 3.48Å; E246-R249 PolarHBondContact OE1-NH2 2.96Å; E246-L250 HydrophobicContact CG-CD1 4.12Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.32Å; E246-L250 PolarHBondContact O-N 3.11Å |
| 247 | N | 96.2 | Very high | 97.3 | Very high | 109 Ų | 109 | 100 Ų | 100 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.7 | -39.8 | 177.3 | -160.6 | -1.3 | 0 | 0 | 0 | 111.5 | L243 V244 R249 L250 S251 | L243-N247 WeakPolarHBondContact O-CB 3.37Å; L243-N247 PolarHBondContact O-N 2.67Å; V244-N247 PolarHBondContact O-N 3.26Å; N247-R249 PolarHBondContact O-N 3.43Å; N247-L250 PolarHBondContact O-N 3.38Å; N247-S251 WeakPolarHBondContact O-CB 3.32Å; N247-S251 PolarHBondContact O-N 3.47Å |
| 248 | S | 97.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 59% | 0.594 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58 | -46.9 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | V244 E245 L250 S251 G252 | V244-S248 WeakPolarHBondContact O-CB 3.35Å; V244-S248 PolarHBondContact O-N 3.32Å; E245-S248 PolarHBondContact O-N 3.49Å; S248-L250 PolarHBondContact O-N 3.32Å; S248-S251 WeakPolarHBondContact O-CB 3.14Å; S248-S251 PolarHBondContact O-N 3.49Å; S248-G252 PolarHBondContact O-N 3.4Å |
| 249 | R | 97.9 | Very high | 97.3 | Very high | 149 Ų | 149 | 100.5 Ų | 100.5 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 175.2 | -175.7 | -174.2 | 65.4 | 161.7 | -3.2 | 112.7 | E245 E246 N247 R253 | E245-R249 WeakPolarHBondContact O-CB 3.42Å; E245-R249 PolarHBondContact O-N 3.43Å; E246-R249 PolarHBondContact O-N 2.88Å; E246-R249 IonicContact OE1-NH2 3.48Å; E246-R249 PolarHBondContact OE1-NH2 2.96Å; N247-R249 PolarHBondContact O-N 3.43Å; R249-R253 WeakPolarHBondContact O-CG 3.36Å; R249-R253 PolarHBondContact O-N 2.91Å |
| 250 | L | 97.4 | Very high | 97.3 | Very high | 84 Ų | 84 | 100 Ų | 100 | 44% | 0.44 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 176.7 | -72.8 | 170.9 | 0 | 0 | 0 | 111.6 | E246 N247 S248 R253 A254 | E246-L250 HydrophobicContact CG-CD1 4.12Å; E246-L250 WeakPolarHBondContact O-CB 3.49Å; E246-L250 VanDerWaalsContact O-CG 3.29Å; E246-L250 WeakPolarHBondContact O-CG 3.32Å; E246-L250 PolarHBondContact O-N 3.11Å; N247-L250 PolarHBondContact O-N 3.38Å; S248-L250 PolarHBondContact O-N 3.32Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-A254 PolarHBondContact O-N 2.84Å |
| 251 | S | 96.4 | Very high | 97.4 | Very high | 70 Ų | 70 | 99.3 Ų | 99.3 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | N247 S248 R253 A254 T255 | N247-S251 WeakPolarHBondContact O-CB 3.32Å; N247-S251 PolarHBondContact O-N 3.47Å; S248-S251 WeakPolarHBondContact O-CB 3.14Å; S248-S251 PolarHBondContact O-N 3.49Å; S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 3.24Å; S251-A254 WeakPolarHBondContact O-CB 3.34Å; S251-A254 PolarHBondContact O-N 3.46Å; S251-A254 VanDerWaalsContact O-N 3.13Å; S251-T255 PolarHBondContact O-N 2.96Å; S251-T255 PolarHBondContact O-OG1 3.07Å |
| 252 | G | 97.6 | Very high | 97.4 | Very high | 38 Ų | 38 | 104.3 Ų | 104.3 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S248 T255 E256 | S248-G252 PolarHBondContact O-N 3.4Å; G252-T255 WeakPolarHBondContact CA-OG1 3.31Å; G252-T255 PolarHBondContact O-OG1 3.29Å; G252-E256 WeakPolarHBondContact O-CB 3.17Å; G252-E256 PolarHBondContact O-N 2.9Å |
| 253 | R | 97.4 | Very high | 97.4 | Very high | 158 Ų | 158 | 101 Ų | 101 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.7 | -27.5 | 173.6 | -71 | -176.3 | 69.7 | -149.8 | -2.7 | 113.4 | R249 L250 S251 K257 | R249-R253 WeakPolarHBondContact O-CG 3.36Å; R249-R253 PolarHBondContact O-N 2.91Å; L250-R253 PolarHBondContact O-N 2.9Å; S251-R253 VanDerWaalsContact C-N 3.31Å; S251-R253 PolarHBondContact O-N 3.24Å; R253-K257 WeakPolarHBondContact O-CB 3.32Å; R253-K257 PolarHBondContact O-N 3.06Å; R253-K257 VanDerWaalsContact O-N 3.11Å |
| 254 | A | 96.3 | Very high | 97.4 | Very high | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.4 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L250 S251 E256 K257 E258 | L250-A254 PolarHBondContact O-N 2.84Å; S251-A254 WeakPolarHBondContact O-CB 3.34Å; S251-A254 PolarHBondContact O-N 3.46Å; S251-A254 VanDerWaalsContact O-N 3.13Å; A254-E256 PolarHBondContact O-N 3Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 3.46Å; A254-K257 VanDerWaalsContact O-N 3.16Å; A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.07Å |
| 255 | T | 96.9 | Very high | 97.4 | Very high | 78 Ų | 78 | 98.3 Ų | 98.3 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 176.4 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | S251 G252 K257 E258 Q259 | S251-T255 PolarHBondContact O-N 2.96Å; S251-T255 PolarHBondContact O-OG1 3.07Å; G252-T255 WeakPolarHBondContact CA-OG1 3.31Å; G252-T255 PolarHBondContact O-OG1 3.29Å; T255-K257 VanDerWaalsContact C-N 3.34Å; T255-E258 PolarHBondContact O-N 3.22Å; T255-Q259 PolarHBondContact O-N 3.4Å |
| 256 | E | 97.5 | Very high | 97.4 | Very high | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 173.2 | -176.2 | -179.9 | -151 | 0 | 0 | 111.4 | G252 A254 V260 | G252-E256 WeakPolarHBondContact O-CB 3.17Å; G252-E256 PolarHBondContact O-N 2.9Å; A254-E256 PolarHBondContact O-N 3Å; E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.86Å; E256-V260 VanDerWaalsContact O-N 3.13Å |
| 257 | K | 97.2 | Very high | 97.5 | Very high | 117 Ų | 117 | 97.3 Ų | 97.3 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 174.1 | 178.4 | 179.5 | 174.7 | -78.8 | 0 | 111.9 | R253 A254 T255 Q259 V260 E261 | R253-K257 WeakPolarHBondContact O-CB 3.32Å; R253-K257 PolarHBondContact O-N 3.06Å; R253-K257 VanDerWaalsContact O-N 3.11Å; A254-K257 WeakPolarHBondContact O-CB 3.39Å; A254-K257 PolarHBondContact O-N 3.46Å; A254-K257 VanDerWaalsContact O-N 3.16Å; T255-K257 VanDerWaalsContact C-N 3.34Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.88Å; K257-V260 PolarHBondContact O-N 3.29Å; K257-E261 VanDerWaalsContact CE-OE1 3.28Å; K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.68Å; K257-E261 PolarHBondContact NZ-OE1 3.38Å; K257-E261 IonicContact NZ-OE2 3.67Å; K257-E261 PolarHBondContact NZ-OE2 3.44Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.37Å |
| 258 | E | 97.4 | Very high | 97.5 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 58% | 0.584 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -40.3 | 177.9 | -74.1 | 171.1 | -178.9 | 0 | 0 | 111.8 | A254 T255 E261 W262 | A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.07Å; T255-E258 PolarHBondContact O-N 3.22Å; E258-E261 PolarHBondContact O-N 2.91Å; E258-W262 PolarHBondContact O-N 2.66Å |
| 259 | Q | 98.2 | Very high | 97.5 | Very high | 114 Ų | 114 | 97.4 Ų | 97.4 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 173.7 | -179.1 | -179.7 | -18.4 | 0 | 0 | 111.6 | T255 K257 E261 W262 E263 | T255-Q259 PolarHBondContact O-N 3.4Å; K257-Q259 VanDerWaalsContact C-N 3.31Å; K257-Q259 PolarHBondContact O-N 2.88Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 3.22Å; Q259-W262 PolarHBondContact O-N 2.79Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.26Å; Q259-E263 PolarHBondContact NE2-OE1 3.42Å; Q259-E263 WeakPolarHBondContact O-CG 3.3Å; Q259-E263 PolarHBondContact O-N 2.69Å |
| 260 | V | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 95.2 Ų | 95.2 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -33.8 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | E256 K257 N264 | E256-V260 WeakPolarHBondContact O-CG2 3.39Å; E256-V260 PolarHBondContact O-N 2.86Å; E256-V260 VanDerWaalsContact O-N 3.13Å; K257-V260 PolarHBondContact O-N 3.29Å; V260-N264 VanDerWaalsContact O-CB 3.29Å; V260-N264 WeakPolarHBondContact O-CB 3.05Å; V260-N264 PolarHBondContact O-N 2.81Å |
| 261 | E | 96.9 | Very high | 97.6 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 173.9 | -76 | 178.1 | 146.6 | 0 | 0 | 112 | K257 E258 Q259 N264 A265 | K257-E261 VanDerWaalsContact CE-OE1 3.28Å; K257-E261 WeakPolarHBondContact CE-OE1 3.27Å; K257-E261 HydrophobicContact CG-CG 4.41Å; K257-E261 IonicContact NZ-OE1 2.68Å; K257-E261 PolarHBondContact NZ-OE1 3.38Å; K257-E261 IonicContact NZ-OE2 3.67Å; K257-E261 PolarHBondContact NZ-OE2 3.44Å; K257-E261 WeakPolarHBondContact O-CG 3.48Å; K257-E261 PolarHBondContact O-N 3.37Å; E258-E261 PolarHBondContact O-N 2.91Å; Q259-E261 VanDerWaalsContact C-N 3.29Å; Q259-E261 PolarHBondContact O-N 3.22Å; E261-N264 PolarHBondContact O-N 3.46Å; E261-A265 WeakPolarHBondContact O-CB 3.45Å; E261-A265 PolarHBondContact O-N 3.16Å |
| 262 | W | 97.3 | Very high | 97.7 | Very high | 166 Ų | 166 | 99.3 Ų | 99.3 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -46.2 | 172.5 | -179.1 | 82.3 | 0 | 0 | 0 | 112.3 | E258 Q259 N264 A265 E266 | E258-W262 PolarHBondContact O-N 2.66Å; Q259-W262 PolarHBondContact O-N 2.79Å; W262-N264 VanDerWaalsContact C-N 3.28Å; W262-N264 PolarHBondContact O-N 2.99Å; W262-A265 PolarHBondContact O-N 2.95Å; W262-E266 PolarHBondContact O-N 3.23Å |
| 263 | E | 97.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 98.8 Ų | 98.8 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 175.5 | -70.5 | 175 | -167 | 0 | 0 | 111.7 | Q259 L267 | Q259-E263 WeakPolarHBondContact CG-OE1 3.26Å; Q259-E263 PolarHBondContact NE2-OE1 3.42Å; Q259-E263 WeakPolarHBondContact O-CG 3.3Å; Q259-E263 PolarHBondContact O-N 2.69Å; E263-L267 WeakPolarHBondContact O-CB 3.34Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.29Å; E263-L267 PolarHBondContact O-N 2.89Å |
| 264 | N | 97.8 | Very high | 97.7 | Very high | 75 Ų | 75 | 95.5 Ų | 95.5 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.3 | -155.7 | -86.9 | 0 | 0 | 0 | 112 | V260 E261 W262 R268 | V260-N264 VanDerWaalsContact O-CB 3.29Å; V260-N264 WeakPolarHBondContact O-CB 3.05Å; V260-N264 PolarHBondContact O-N 2.81Å; E261-N264 PolarHBondContact O-N 3.46Å; W262-N264 VanDerWaalsContact C-N 3.28Å; W262-N264 PolarHBondContact O-N 2.99Å; N264-R268 WeakPolarHBondContact O-CB 3.24Å; N264-R268 VanDerWaalsContact O-CG 3.23Å; N264-R268 WeakPolarHBondContact O-CG 3.36Å; N264-R268 PolarHBondContact O-N 2.83Å; N264-R268 PolarHBondContact OD1-NE 2.76Å |
| 265 | A | 97.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 95.3 Ų | 95.3 | 50% | 0.496 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E261 W262 R268 G269 | E261-A265 WeakPolarHBondContact O-CB 3.45Å; E261-A265 PolarHBondContact O-N 3.16Å; W262-A265 PolarHBondContact O-N 2.95Å; A265-R268 WeakPolarHBondContact O-CB 3.24Å; A265-R268 PolarHBondContact O-N 2.96Å; A265-G269 PolarHBondContact O-N 3.15Å |
| 266 | E | 98.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 174.9 | 178.4 | 56.3 | -148.7 | 0 | 0 | 111.5 | W262 R268 G269 Q270 | W262-E266 PolarHBondContact O-N 3.23Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.82Å; E266-G269 PolarHBondContact O-N 3.21Å; E266-G269 VanDerWaalsContact O-N 3.11Å; E266-Q270 WeakPolarHBondContact O-CG 3.3Å; E266-Q270 PolarHBondContact O-N 2.79Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å |
| 267 | L | 98.4 | Very high | 97.8 | Very high | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 176.2 | -73.3 | 171.2 | 0 | 0 | 0 | 113.1 | E263 L271 | E263-L267 WeakPolarHBondContact O-CB 3.34Å; E263-L267 VanDerWaalsContact O-CG 3.27Å; E263-L267 WeakPolarHBondContact O-CG 3.29Å; E263-L267 PolarHBondContact O-N 2.89Å; L267-L271 VanDerWaalsContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 PolarHBondContact O-N 3.19Å |
| 268 | R | 97.9 | Very high | 97.9 | Very high | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 171.9 | -75.3 | 168.8 | -176.8 | -116.8 | -0.3 | 111.6 | N264 A265 E266 L271 L272 | N264-R268 WeakPolarHBondContact O-CB 3.24Å; N264-R268 VanDerWaalsContact O-CG 3.23Å; N264-R268 WeakPolarHBondContact O-CG 3.36Å; N264-R268 PolarHBondContact O-N 2.83Å; N264-R268 PolarHBondContact OD1-NE 2.76Å; A265-R268 WeakPolarHBondContact O-CB 3.24Å; A265-R268 PolarHBondContact O-N 2.96Å; E266-R268 VanDerWaalsContact C-N 3.31Å; E266-R268 PolarHBondContact O-N 2.82Å; R268-L271 PolarHBondContact O-N 3.49Å; R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 2.79Å |
| 269 | G | 98.2 | Very high | 97.9 | Very high | 43 Ų | 43 | 96.8 Ų | 96.8 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A265 E266 L272 G273 | A265-G269 PolarHBondContact O-N 3.15Å; E266-G269 PolarHBondContact O-N 3.21Å; E266-G269 VanDerWaalsContact O-N 3.11Å; G269-L272 PolarHBondContact O-N 3.28Å; G269-G273 PolarHBondContact O-N 3.44Å |
| 270 | Q | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.8 | -67 | 178 | 21.6 | 0 | 0 | 112.3 | E266 L272 G273 V274 | E266-Q270 WeakPolarHBondContact O-CG 3.3Å; E266-Q270 PolarHBondContact O-N 2.79Å; E266-Q270 PolarHBondContact OE1-NE2 3.25Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.19Å; Q270-G273 PolarHBondContact O-N 2.77Å; Q270-V274 WeakPolarHBondContact O-CG2 3.18Å; Q270-V274 PolarHBondContact O-N 3.42Å |
| 271 | L | 97.9 | Very high | 97.9 | Very high | 115 Ų | 115 | 91.9 Ų | 91.9 | 60% | 0.602 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 175.6 | 180 | 62.1 | 0 | 0 | 0 | 112 | L267 R268 T275 | L267-L271 VanDerWaalsContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 PolarHBondContact O-N 3.19Å; R268-L271 PolarHBondContact O-N 3.49Å; L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.38Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.03Å |
| 272 | L | 98.4 | Very high | 97.9 | Very high | 124 Ų | 124 | 92 Ų | 92 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 176 | -176.2 | 65.3 | 0 | 0 | 0 | 111.3 | R268 G269 Q270 T275 Q276 | R268-L272 WeakPolarHBondContact O-CB 3.46Å; R268-L272 PolarHBondContact O-N 2.79Å; G269-L272 PolarHBondContact O-N 3.28Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 3.19Å; L272-T275 WeakPolarHBondContact O-CB 3.26Å; L272-T275 PolarHBondContact O-N 3.31Å; L272-Q276 PolarHBondContact O-N 2.81Å |
| 273 | G | 97.7 | Very high | 98 | Very high | 27 Ų | 27 | 91.9 Ų | 91.9 | 28% | 0.278 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G269 Q270 T275 Q276 E277 | G269-G273 PolarHBondContact O-N 3.44Å; Q270-G273 PolarHBondContact O-N 2.77Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.2Å; G273-Q276 WeakPolarHBondContact O-CB 3.39Å; G273-Q276 PolarHBondContact O-N 3.07Å; G273-Q276 VanDerWaalsContact O-N 3.13Å; G273-E277 PolarHBondContact O-N 3.33Å |
| 274 | V | 98.1 | Very high | 98 | Very high | 90 Ų | 90 | 95 Ų | 95 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 112 | Q270 R278 | Q270-V274 WeakPolarHBondContact O-CG2 3.18Å; Q270-V274 PolarHBondContact O-N 3.42Å; V274-R278 WeakPolarHBondContact O-CB 3.24Å; V274-R278 PolarHBondContact O-N 2.83Å |
| 275 | T | 97.1 | Very high | 98 | Very high | 41 Ų | 41 | 94.7 Ų | 94.7 | 25% | 0.252 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | L271 L272 G273 E277 R278 D279 | L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.38Å; L271-T275 PolarHBondContact O-N 2.94Å; L271-T275 PolarHBondContact O-OG1 3.03Å; L272-T275 WeakPolarHBondContact O-CB 3.26Å; L272-T275 PolarHBondContact O-N 3.31Å; G273-T275 VanDerWaalsContact C-N 3.25Å; G273-T275 PolarHBondContact O-N 3.2Å; T275-E277 PolarHBondContact O-N 3Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.19Å; T275-D279 VanDerWaalsContact O-CG 3.24Å; T275-D279 PolarHBondContact O-N 2.95Å |
| 276 | Q | 98.4 | Very high | 98 | Very high | 142 Ų | 142 | 97.5 Ų | 97.5 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 175.5 | -169.7 | -177.1 | 38 | 0 | 0 | 112.1 | L272 G273 D279 S280 | L272-Q276 PolarHBondContact O-N 2.81Å; G273-Q276 WeakPolarHBondContact O-CB 3.39Å; G273-Q276 PolarHBondContact O-N 3.07Å; G273-Q276 VanDerWaalsContact O-N 3.13Å; Q276-D279 PolarHBondContact O-N 3.45Å; Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.45Å; Q276-S280 PolarHBondContact O-N 2.83Å |
| 277 | E | 97.4 | Very high | 98 | Very high | 139 Ų | 139 | 95 Ų | 95 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 173.7 | -74.3 | -179.2 | -178.8 | 0 | 0 | 111.7 | G273 T275 D279 S280 A281 | G273-E277 PolarHBondContact O-N 3.33Å; T275-E277 PolarHBondContact O-N 3Å; E277-D279 VanDerWaalsContact C-N 3.32Å; E277-D279 PolarHBondContact O-N 2.97Å; E277-S280 PolarHBondContact O-N 3.04Å; E277-A281 WeakPolarHBondContact O-CB 3.16Å; E277-A281 PolarHBondContact O-N 3.1Å |
| 278 | R | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 95.5 Ų | 95.5 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.4 | -47 | 173.3 | -178.9 | -158.4 | 71.3 | -164.3 | -2.7 | 111.2 | V274 T275 A281 L282 | V274-R278 WeakPolarHBondContact O-CB 3.24Å; V274-R278 PolarHBondContact O-N 2.83Å; T275-R278 WeakPolarHBondContact O-CB 3.48Å; T275-R278 PolarHBondContact O-N 3.19Å; R278-A281 PolarHBondContact O-N 3.37Å; R278-L282 HydrophobicContact CG-CD1 4.12Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.91Å |
| 279 | D | 97.9 | Very high | 97.9 | Very high | 58 Ų | 58 | 93.4 Ų | 93.4 | 31% | 0.31 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76 | -26.8 | -175.4 | -64 | -17.7 | 0 | 0 | 0 | 112.5 | T275 Q276 E277 R283 | T275-D279 VanDerWaalsContact O-CG 3.24Å; T275-D279 PolarHBondContact O-N 2.95Å; Q276-D279 PolarHBondContact O-N 3.45Å; E277-D279 VanDerWaalsContact C-N 3.32Å; E277-D279 PolarHBondContact O-N 2.97Å; D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 VanDerWaalsContact O-N 3.16Å; D279-R283 PolarHBondContact O-NE 3.29Å |
| 280 | S | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 94.8 Ų | 94.8 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 166.2 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | Q276 E277 R283 K284 | Q276-S280 VanDerWaalsContact O-CB 3.28Å; Q276-S280 WeakPolarHBondContact O-CB 3.45Å; Q276-S280 PolarHBondContact O-N 2.83Å; E277-S280 PolarHBondContact O-N 3.04Å; S280-R283 PolarHBondContact O-N 3.13Å; S280-K284 WeakPolarHBondContact O-CG 3.31Å; S280-K284 PolarHBondContact O-N 3.42Å |
| 281 | A | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E277 R278 K284 S285 | E277-A281 WeakPolarHBondContact O-CB 3.16Å; E277-A281 PolarHBondContact O-N 3.1Å; R278-A281 PolarHBondContact O-N 3.37Å; A281-K284 PolarHBondContact O-N 3.24Å; A281-S285 WeakPolarHBondContact O-CB 3.43Å; A281-S285 PolarHBondContact O-N 3.48Å |
| 282 | L | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 96 Ų | 96 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 175 | -75.9 | 169.7 | 0 | 0 | 0 | 111.9 | R278 K284 S285 Q286 | R278-L282 HydrophobicContact CG-CD1 4.12Å; R278-L282 WeakPolarHBondContact O-CG 3.3Å; R278-L282 PolarHBondContact O-N 2.91Å; L282-K284 VanDerWaalsContact C-N 3.35Å; L282-K284 PolarHBondContact O-N 3.45Å; L282-S285 WeakPolarHBondContact O-CB 3.29Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-Q286 WeakPolarHBondContact O-CG 3.47Å; L282-Q286 PolarHBondContact O-N 3.26Å |
| 283 | R | 97.9 | Very high | 97.9 | Very high | 163 Ų | 163 | 94 Ų | 94 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.9 | -41.3 | 175 | -75.3 | -178 | -67.2 | 148.9 | -4.8 | 112.4 | D279 S280 Q286 G287 | D279-R283 WeakPolarHBondContact O-CG 3.46Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 VanDerWaalsContact O-N 3.16Å; D279-R283 PolarHBondContact O-NE 3.29Å; S280-R283 PolarHBondContact O-N 3.13Å; R283-Q286 PolarHBondContact O-N 2.81Å; R283-G287 PolarHBondContact O-N 2.94Å |
| 284 | K | 97.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 95.7 Ų | 95.7 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 173.6 | -72.1 | 175.6 | -177.8 | -177.2 | 0 | 111.6 | S280 A281 L282 G287 L288 | S280-K284 WeakPolarHBondContact O-CG 3.31Å; S280-K284 PolarHBondContact O-N 3.42Å; A281-K284 PolarHBondContact O-N 3.24Å; L282-K284 VanDerWaalsContact C-N 3.35Å; L282-K284 PolarHBondContact O-N 3.45Å; K284-G287 PolarHBondContact O-N 2.88Å; K284-L288 WeakPolarHBondContact O-CG 3.43Å; K284-L288 PolarHBondContact O-N 2.87Å |
| 285 | S | 97.9 | Very high | 97.9 | Very high | 70 Ų | 70 | 96.5 Ų | 96.5 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.7 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | A281 L282 L288 Q289 | A281-S285 WeakPolarHBondContact O-CB 3.43Å; A281-S285 PolarHBondContact O-N 3.48Å; L282-S285 WeakPolarHBondContact O-CB 3.29Å; L282-S285 PolarHBondContact O-N 3.35Å; S285-L288 PolarHBondContact O-N 2.98Å; S285-Q289 WeakPolarHBondContact O-CB 3.49Å; S285-Q289 PolarHBondContact O-N 2.85Å |
| 286 | Q | 98.2 | Very high | 98 | Very high | 118 Ų | 118 | 99.9 Ų | 99.9 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 175 | -72.5 | 169.1 | -20.1 | 0 | 0 | 111.4 | L282 R283 L288 Q289 S290 | L282-Q286 WeakPolarHBondContact O-CG 3.47Å; L282-Q286 PolarHBondContact O-N 3.26Å; R283-Q286 PolarHBondContact O-N 2.81Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 2.98Å; Q286-Q289 WeakPolarHBondContact O-CB 3.38Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-Q289 VanDerWaalsContact O-N 3.09Å; Q286-S290 PolarHBondContact O-N 2.94Å; Q286-S290 PolarHBondContact O-OG 3.09Å |
| 287 | G | 97.5 | Very high | 98 | Very high | 36 Ų | 36 | 99.4 Ų | 99.4 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.4 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | R283 K284 K291 | R283-G287 PolarHBondContact O-N 2.94Å; K284-G287 PolarHBondContact O-N 2.88Å; G287-K291 WeakPolarHBondContact O-CG 3.41Å; G287-K291 PolarHBondContact O-N 3.35Å |
| 288 | L | 98 | Very high | 98 | Very high | 117 Ų | 117 | 96.4 Ų | 96.4 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71.1 | -36.7 | 171.6 | -72.1 | 172.9 | 0 | 0 | 0 | 112.3 | K284 S285 Q286 K291 L292 | K284-L288 WeakPolarHBondContact O-CG 3.43Å; K284-L288 PolarHBondContact O-N 2.87Å; S285-L288 PolarHBondContact O-N 2.98Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 2.98Å; L288-K291 PolarHBondContact O-N 2.83Å; L288-L292 PolarHBondContact O-N 3.16Å |
| 289 | Q | 97.8 | Very high | 98 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.2 | -171.8 | -175.2 | -30.7 | 0 | 0 | 111.4 | S285 Q286 K291 L292 E293 | S285-Q289 WeakPolarHBondContact O-CB 3.49Å; S285-Q289 PolarHBondContact O-N 2.85Å; Q286-Q289 WeakPolarHBondContact O-CB 3.38Å; Q286-Q289 PolarHBondContact O-N 2.95Å; Q286-Q289 VanDerWaalsContact O-N 3.09Å; Q289-K291 VanDerWaalsContact C-N 3.27Å; Q289-K291 PolarHBondContact O-N 2.77Å; Q289-L292 WeakPolarHBondContact O-CB 3.48Å; Q289-L292 PolarHBondContact O-N 3.48Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 2.91Å; Q289-E293 WeakPolarHBondContact O-CG 3.09Å; Q289-E293 PolarHBondContact O-N 2.7Å |
| 290 | S | 97.7 | Very high | 98.1 | Very high | 73 Ų | 73 | 97.4 Ų | 97.4 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -32.6 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | Q286 S294 | Q286-S290 PolarHBondContact O-N 2.94Å; Q286-S290 PolarHBondContact O-OG 3.09Å; S290-S294 WeakPolarHBondContact O-CB 3.5Å; S290-S294 PolarHBondContact O-N 2.83Å |
| 291 | K | 98.1 | Very high | 98.1 | Very high | 144 Ų | 144 | 100.9 Ų | 100.9 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -39.6 | 171.5 | -74.9 | 178.3 | 179.7 | -169.4 | 0 | 112.2 | G287 L288 Q289 S294 L295 | G287-K291 WeakPolarHBondContact O-CG 3.41Å; G287-K291 PolarHBondContact O-N 3.35Å; L288-K291 PolarHBondContact O-N 2.83Å; Q289-K291 VanDerWaalsContact C-N 3.27Å; Q289-K291 PolarHBondContact O-N 2.77Å; K291-S294 PolarHBondContact O-N 3.31Å; K291-L295 WeakPolarHBondContact O-CG 3.3Å; K291-L295 PolarHBondContact O-N 3.14Å |
| 292 | L | 98.3 | Very high | 98.1 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 174.9 | -177.2 | 66.1 | 0 | 0 | 0 | 111.1 | L288 Q289 S294 L295 E296 | L288-L292 PolarHBondContact O-N 3.16Å; Q289-L292 WeakPolarHBondContact O-CB 3.48Å; Q289-L292 PolarHBondContact O-N 3.48Å; L292-S294 VanDerWaalsContact C-N 3.3Å; L292-S294 PolarHBondContact O-N 2.84Å; L292-L295 PolarHBondContact O-N 3.29Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L292-E296 WeakPolarHBondContact O-CG 3.5Å; L292-E296 PolarHBondContact O-N 2.7Å |
| 293 | E | 98.1 | Very high | 98 | Very high | 82 Ų | 82 | 107.3 Ų | 107.3 | 38% | 0.383 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.9 | -70.3 | 166.6 | -171.4 | 0 | 0 | 111.9 | Q289 E296 Q297 | Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 2.91Å; Q289-E293 WeakPolarHBondContact O-CG 3.09Å; Q289-E293 PolarHBondContact O-N 2.7Å; E293-E296 PolarHBondContact O-N 3.39Å; E293-Q297 WeakPolarHBondContact O-CG 3.49Å; E293-Q297 PolarHBondContact O-N 2.86Å; E293-Q297 VanDerWaalsContact O-N 3.09Å |
| 294 | S | 98.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 103.3 Ų | 103.3 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 172.9 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | S290 K291 L292 E296 Q297 V298 | S290-S294 WeakPolarHBondContact O-CB 3.5Å; S290-S294 PolarHBondContact O-N 2.83Å; K291-S294 PolarHBondContact O-N 3.31Å; L292-S294 VanDerWaalsContact C-N 3.3Å; L292-S294 PolarHBondContact O-N 2.84Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 2.78Å; S294-Q297 WeakPolarHBondContact O-CB 3.17Å; S294-Q297 PolarHBondContact O-N 2.95Å; S294-V298 WeakPolarHBondContact O-CG2 3.15Å; S294-V298 PolarHBondContact O-N 2.72Å |
| 295 | L | 98 | Very high | 98.1 | Very high | 107 Ų | 107 | 100 Ų | 100 | 56% | 0.56 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -35.7 | 175.6 | -71.9 | 171.3 | 0 | 0 | 0 | 112.4 | K291 L292 V298 L299 | K291-L295 WeakPolarHBondContact O-CG 3.3Å; K291-L295 PolarHBondContact O-N 3.14Å; L292-L295 PolarHBondContact O-N 3.29Å; L292-L295 VanDerWaalsContact O-N 3.14Å; L295-V298 PolarHBondContact O-N 2.59Å; L295-L299 WeakPolarHBondContact O-CB 3.33Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.37Å |
| 296 | E | 98.1 | Very high | 98.1 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.4 | -75 | -177 | 178.3 | 0 | 0 | 112.1 | L292 E293 S294 L299 K300 | L292-E296 WeakPolarHBondContact O-CG 3.5Å; L292-E296 PolarHBondContact O-N 2.7Å; E293-E296 PolarHBondContact O-N 3.39Å; S294-E296 VanDerWaalsContact C-N 3.33Å; S294-E296 PolarHBondContact O-N 2.78Å; E296-L299 PolarHBondContact O-N 2.93Å; E296-K300 WeakPolarHBondContact O-CB 3.23Å; E296-K300 PolarHBondContact O-N 2.95Å |
| 297 | Q | 98.5 | Very high | 98.1 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 173 | -69.2 | 169.4 | 23.2 | 0 | 0 | 111.6 | E293 S294 L299 K300 H301 | E293-Q297 WeakPolarHBondContact O-CG 3.49Å; E293-Q297 PolarHBondContact O-N 2.86Å; E293-Q297 VanDerWaalsContact O-N 3.09Å; S294-Q297 WeakPolarHBondContact O-CB 3.17Å; S294-Q297 PolarHBondContact O-N 2.95Å; Q297-L299 PolarHBondContact O-N 3.09Å; Q297-K300 WeakPolarHBondContact O-CB 3.39Å; Q297-K300 PolarHBondContact O-N 3.02Å; Q297-H301 PolarHBondContact O-N 3.06Å |
| 298 | V | 98.3 | Very high | 98.1 | Very high | 75 Ų | 75 | 106.7 Ų | 106.7 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | S294 L295 K300 H301 M302 | S294-V298 WeakPolarHBondContact O-CG2 3.15Å; S294-V298 PolarHBondContact O-N 2.72Å; L295-V298 PolarHBondContact O-N 2.59Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.1Å; V298-H301 PolarHBondContact O-N 3.17Å; V298-M302 HydrophobicContact CG1-CG 4.32Å; V298-M302 HydrophobicContact CG1-SD 4.16Å; V298-M302 WeakPolarHBondContact O-CB 3.41Å; V298-M302 WeakPolarHBondContact O-CG 3.31Å; V298-M302 PolarHBondContact O-N 3.42Å |
| 299 | L | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 108.8 Ų | 108.8 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -25.8 | 176.8 | -73.1 | 173.8 | 0 | 0 | 0 | 113.4 | L295 E296 Q297 R303 | L295-L299 WeakPolarHBondContact O-CB 3.33Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.37Å; E296-L299 PolarHBondContact O-N 2.93Å; Q297-L299 PolarHBondContact O-N 3.09Å; L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.17Å; L299-R303 PolarHBondContact O-NE 3.04Å |
| 300 | K | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 109.9 Ų | 109.9 | 53% | 0.53 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -50.4 | 170.2 | -174.1 | 180 | -177.5 | -86 | 0 | 110 | E296 Q297 V298 M302 R303 E304 | E296-K300 WeakPolarHBondContact O-CB 3.23Å; E296-K300 PolarHBondContact O-N 2.95Å; Q297-K300 WeakPolarHBondContact O-CB 3.39Å; Q297-K300 PolarHBondContact O-N 3.02Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.1Å; K300-M302 PolarHBondContact O-N 3.08Å; K300-R303 WeakPolarHBondContact O-CB 3.37Å; K300-R303 PolarHBondContact O-N 3.31Å; K300-R303 VanDerWaalsContact O-N 3.08Å; K300-E304 IonicContact NZ-OE1 3.92Å; K300-E304 PolarHBondContact NZ-OE1 2.87Å; K300-E304 WeakPolarHBondContact O-CG 3.38Å; K300-E304 PolarHBondContact O-N 2.9Å |
| 301 | H | 98.2 | Very high | 98.2 | Very high | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | 179 | -172 | 56.8 | 0 | 0 | 0 | 112.7 | Q297 V298 R303 E304 V305 | Q297-H301 PolarHBondContact O-N 3.06Å; V298-H301 PolarHBondContact O-N 3.17Å; H301-R303 VanDerWaalsContact C-N 3.26Å; H301-R303 PolarHBondContact O-N 2.98Å; H301-E304 IonicContact ND1-OE2 3.38Å; H301-E304 PolarHBondContact O-N 3.15Å; H301-V305 WeakPolarHBondContact O-CB 3.37Å; H301-V305 WeakPolarHBondContact O-CG2 3.43Å; H301-V305 PolarHBondContact O-N 2.81Å |
| 302 | M | 97.7 | Very high | 98.2 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.9 | -35.1 | 174 | -73.4 | -176.6 | 74.4 | 0 | 0 | 112.8 | V298 K300 A306 | V298-M302 HydrophobicContact CG1-CG 4.32Å; V298-M302 HydrophobicContact CG1-SD 4.16Å; V298-M302 WeakPolarHBondContact O-CB 3.41Å; V298-M302 WeakPolarHBondContact O-CG 3.31Å; V298-M302 PolarHBondContact O-N 3.42Å; K300-M302 PolarHBondContact O-N 3.08Å; M302-A306 VanDerWaalsContact O-CB 3.31Å; M302-A306 WeakPolarHBondContact O-CB 3.44Å; M302-A306 PolarHBondContact O-N 2.87Å |
| 303 | R | 98.1 | Very high | 98.2 | Very high | 160 Ų | 160 | 108 Ų | 108 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.7 | -43.5 | 174 | -80.8 | 177.3 | -83.4 | 179.5 | -7.4 | 111.8 | L299 K300 H301 A306 Q307 | L299-R303 WeakPolarHBondContact O-CG 3.47Å; L299-R303 PolarHBondContact O-N 3.17Å; L299-R303 PolarHBondContact O-NE 3.04Å; K300-R303 WeakPolarHBondContact O-CB 3.37Å; K300-R303 PolarHBondContact O-N 3.31Å; K300-R303 VanDerWaalsContact O-N 3.08Å; H301-R303 VanDerWaalsContact C-N 3.26Å; H301-R303 PolarHBondContact O-N 2.98Å; R303-A306 PolarHBondContact O-N 2.83Å; R303-Q307 WeakPolarHBondContact O-CG 3.32Å; R303-Q307 PolarHBondContact O-N 3.4Å |
| 304 | E | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 108.1 Ų | 108.1 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.1 | -67.6 | 164.6 | 178.4 | 0 | 0 | 111.5 | K300 H301 Q307 R308 | K300-E304 IonicContact NZ-OE1 3.92Å; K300-E304 PolarHBondContact NZ-OE1 2.87Å; K300-E304 WeakPolarHBondContact O-CG 3.38Å; K300-E304 PolarHBondContact O-N 2.9Å; H301-E304 IonicContact ND1-OE2 3.38Å; H301-E304 PolarHBondContact O-N 3.15Å; E304-Q307 PolarHBondContact O-N 2.74Å; E304-R308 WeakPolarHBondContact O-CB 3.37Å; E304-R308 PolarHBondContact O-N 3.48Å |
| 305 | V | 98.5 | Very high | 98.2 | Very high | 78 Ų | 78 | 109 Ų | 109 | 47% | 0.473 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | H301 R308 R309 | H301-V305 WeakPolarHBondContact O-CB 3.37Å; H301-V305 WeakPolarHBondContact O-CG2 3.43Å; H301-V305 PolarHBondContact O-N 2.81Å; V305-R308 PolarHBondContact O-N 2.79Å; V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.13Å |
| 306 | A | 97.9 | Very high | 98.2 | Very high | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M302 R303 R309 Q310 | M302-A306 VanDerWaalsContact O-CB 3.31Å; M302-A306 WeakPolarHBondContact O-CB 3.44Å; M302-A306 PolarHBondContact O-N 2.87Å; R303-A306 PolarHBondContact O-N 2.83Å; A306-R309 PolarHBondContact O-N 2.92Å; A306-Q310 PolarHBondContact O-N 2.81Å |
| 307 | Q | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 110.1 Ų | 110.1 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 174.8 | -73.8 | 175.3 | -35.5 | 0 | 0 | 111.8 | R303 E304 R309 Q310 Q311 | R303-Q307 WeakPolarHBondContact O-CG 3.32Å; R303-Q307 PolarHBondContact O-N 3.4Å; E304-Q307 PolarHBondContact O-N 2.74Å; Q307-R309 VanDerWaalsContact C-N 3.25Å; Q307-R309 PolarHBondContact O-N 2.86Å; Q307-Q310 PolarHBondContact O-N 2.96Å; Q307-Q310 VanDerWaalsContact O-N 3.14Å; Q307-Q311 PolarHBondContact O-N 2.92Å |
| 308 | R | 98.4 | Very high | 98.2 | Very high | 172 Ų | 172 | 110.4 Ų | 110.4 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.2 | -40 | 175.4 | -168.2 | 76.9 | -178.6 | 159.2 | 4.1 | 111.4 | E304 V305 L312 | E304-R308 WeakPolarHBondContact O-CB 3.37Å; E304-R308 PolarHBondContact O-N 3.48Å; V305-R308 PolarHBondContact O-N 2.79Å; R308-L312 WeakPolarHBondContact O-CG 3.1Å; R308-L312 PolarHBondContact O-N 3.16Å |
| 309 | R | 98.1 | Very high | 98.2 | Very high | 160 Ų | 160 | 109.7 Ų | 109.7 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 175.6 | 178.3 | 178.9 | 163.5 | -155.6 | -16.7 | 112.2 | V305 A306 Q307 Q311 L312 E313 | V305-R309 WeakPolarHBondContact O-CB 3.49Å; V305-R309 PolarHBondContact O-N 3.13Å; A306-R309 PolarHBondContact O-N 2.92Å; Q307-R309 VanDerWaalsContact C-N 3.25Å; Q307-R309 PolarHBondContact O-N 2.86Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 3.16Å; R309-L312 PolarHBondContact O-N 2.74Å; R309-E313 IonicContact CZ-OE1 3.67Å; R309-E313 IonicContact NE-OE1 3.79Å; R309-E313 PolarHBondContact NE-OE1 2.88Å; R309-E313 IonicContact NH2-OE1 2.8Å; R309-E313 PolarHBondContact NH2-OE1 2.84Å; R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.98Å |
| 310 | Q | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 110.8 Ų | 110.8 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 177.1 | -176.2 | 177.8 | -6.3 | 0 | 0 | 111.2 | A306 Q307 E313 V314 | A306-Q310 PolarHBondContact O-N 2.81Å; Q307-Q310 PolarHBondContact O-N 2.96Å; Q307-Q310 VanDerWaalsContact O-N 3.14Å; Q310-E313 PolarHBondContact O-N 2.98Å; Q310-V314 WeakPolarHBondContact O-CG2 3.09Å; Q310-V314 PolarHBondContact O-N 3.06Å |
| 311 | Q | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 174.5 | -179.2 | 60 | 27.4 | 0 | 0 | 111.9 | Q307 R309 E313 V314 E315 | Q307-Q311 PolarHBondContact O-N 2.92Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 3.16Å; Q311-E313 VanDerWaalsContact C-N 3.28Å; Q311-E313 PolarHBondContact O-N 2.82Å; Q311-V314 PolarHBondContact O-N 2.93Å; Q311-V314 VanDerWaalsContact O-N 3.17Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.11Å; Q311-E315 PolarHBondContact NE2-OE1 3.2Å; Q311-E315 WeakPolarHBondContact O-CG 3.43Å; Q311-E315 PolarHBondContact O-N 2.75Å |
| 312 | L | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 107.4 Ų | 107.4 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -31.4 | 176.1 | -71.6 | 168.7 | 0 | 0 | 0 | 113.2 | R308 R309 H316 | R308-L312 WeakPolarHBondContact O-CG 3.1Å; R308-L312 PolarHBondContact O-N 3.16Å; R309-L312 PolarHBondContact O-N 2.74Å; L312-H316 WeakPolarHBondContact O-CB 3.12Å; L312-H316 PolarHBondContact O-N 2.83Å |
| 313 | E | 98 | Very high | 98.2 | Very high | 91 Ų | 91 | 106.5 Ų | 106.5 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 173.8 | -75 | 176.6 | -175.5 | 0 | 0 | 111.1 | R309 Q310 Q311 H316 E317 | R309-E313 IonicContact CZ-OE1 3.67Å; R309-E313 IonicContact NE-OE1 3.79Å; R309-E313 PolarHBondContact NE-OE1 2.88Å; R309-E313 IonicContact NH2-OE1 2.8Å; R309-E313 PolarHBondContact NH2-OE1 2.84Å; R309-E313 WeakPolarHBondContact O-CG 3.28Å; R309-E313 PolarHBondContact O-N 2.98Å; Q310-E313 PolarHBondContact O-N 2.98Å; Q311-E313 VanDerWaalsContact C-N 3.28Å; Q311-E313 PolarHBondContact O-N 2.82Å; E313-H316 PolarHBondContact O-N 3.36Å; E313-E317 WeakPolarHBondContact O-CG 3.48Å; E313-E317 PolarHBondContact O-N 2.87Å |
| 314 | V | 98.3 | Very high | 98.2 | Very high | 84 Ų | 84 | 104.9 Ų | 104.9 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 174.1 | 174 | 0 | 0 | 0 | 0 | 111.8 | Q310 Q311 H316 E317 Q318 | Q310-V314 WeakPolarHBondContact O-CG2 3.09Å; Q310-V314 PolarHBondContact O-N 3.06Å; Q311-V314 PolarHBondContact O-N 2.93Å; Q311-V314 VanDerWaalsContact O-N 3.17Å; V314-H316 VanDerWaalsContact C-N 3.28Å; V314-H316 PolarHBondContact O-N 2.9Å; V314-E317 PolarHBondContact O-N 3.23Å; V314-E317 VanDerWaalsContact O-N 3.1Å; V314-Q318 PolarHBondContact O-N 2.8Å |
| 315 | E | 97.9 | Very high | 98.2 | Very high | 81 Ų | 81 | 106.4 Ų | 106.4 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -41.3 | 176.7 | -73.3 | 170.5 | -161.6 | 0 | 0 | 111.7 | Q311 Q318 A319 | Q311-E315 WeakPolarHBondContact CG-OE1 3.11Å; Q311-E315 PolarHBondContact NE2-OE1 3.2Å; Q311-E315 WeakPolarHBondContact O-CG 3.43Å; Q311-E315 PolarHBondContact O-N 2.75Å; E315-Q318 PolarHBondContact O-N 2.61Å; E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.98Å |
| 316 | H | 98 | Very high | 98.2 | Very high | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 175.8 | 170.3 | -115 | 0 | 0 | 0 | 112.6 | L312 E313 V314 R320 | L312-H316 WeakPolarHBondContact O-CB 3.12Å; L312-H316 PolarHBondContact O-N 2.83Å; E313-H316 PolarHBondContact O-N 3.36Å; V314-H316 VanDerWaalsContact C-N 3.28Å; V314-H316 PolarHBondContact O-N 2.9Å; H316-R320 VanDerWaalsContact CE1-CD 3.44Å; H316-R320 WeakPolarHBondContact CE1-CD 3.5Å; H316-R320 WeakPolarHBondContact NE2-CD 3.47Å; H316-R320 WeakPolarHBondContact O-CB 3.39Å; H316-R320 WeakPolarHBondContact O-CD 3.42Å; H316-R320 WeakPolarHBondContact O-CG 2.98Å; H316-R320 PolarHBondContact O-N 3.41Å |
| 317 | E | 98.3 | Very high | 98.2 | Very high | 132 Ų | 132 | 108.9 Ų | 108.9 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 173 | -70.2 | -155.4 | 150.2 | 0 | 0 | 112.3 | E313 V314 A319 R320 L321 | E313-E317 WeakPolarHBondContact O-CG 3.48Å; E313-E317 PolarHBondContact O-N 2.87Å; V314-E317 PolarHBondContact O-N 3.23Å; V314-E317 VanDerWaalsContact O-N 3.1Å; E317-A319 PolarHBondContact O-N 3.44Å; E317-R320 WeakPolarHBondContact O-CB 3.48Å; E317-R320 PolarHBondContact O-N 3.11Å; E317-R320 VanDerWaalsContact O-N 3.15Å; E317-L321 WeakPolarHBondContact O-CG 3.42Å; E317-L321 PolarHBondContact O-N 3.19Å |
| 318 | Q | 98.3 | Very high | 98.2 | Very high | 138 Ų | 138 | 108.7 Ų | 108.7 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.3 | -44.9 | 175.1 | -165.9 | -172 | 30.8 | 0 | 0 | 111.4 | V314 E315 R320 L321 S322 | V314-Q318 PolarHBondContact O-N 2.8Å; E315-Q318 PolarHBondContact O-N 2.61Å; Q318-R320 VanDerWaalsContact C-N 3.31Å; Q318-R320 PolarHBondContact O-N 3.45Å; Q318-L321 PolarHBondContact O-N 2.9Å; Q318-S322 PolarHBondContact O-N 3.36Å |
| 319 | A | 98.2 | Very high | 98.2 | Very high | 60 Ų | 60 | 103.7 Ų | 103.7 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E315 E317 S322 L323 | E315-A319 WeakPolarHBondContact O-CB 3.45Å; E315-A319 PolarHBondContact O-N 2.98Å; E317-A319 PolarHBondContact O-N 3.44Å; A319-S322 PolarHBondContact O-N 3.16Å; A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 PolarHBondContact O-N 3.13Å |
| 320 | R | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 174.4 | -74.7 | 167.3 | 63.4 | 82.5 | -3.9 | 112.7 | H316 E317 Q318 R324 | H316-R320 VanDerWaalsContact CE1-CD 3.44Å; H316-R320 WeakPolarHBondContact CE1-CD 3.5Å; H316-R320 WeakPolarHBondContact NE2-CD 3.47Å; H316-R320 WeakPolarHBondContact O-CB 3.39Å; H316-R320 WeakPolarHBondContact O-CD 3.42Å; H316-R320 WeakPolarHBondContact O-CG 2.98Å; H316-R320 PolarHBondContact O-N 3.41Å; E317-R320 WeakPolarHBondContact O-CB 3.48Å; E317-R320 PolarHBondContact O-N 3.11Å; E317-R320 VanDerWaalsContact O-N 3.15Å; Q318-R320 VanDerWaalsContact C-N 3.31Å; Q318-R320 PolarHBondContact O-N 3.45Å; R320-R324 WeakPolarHBondContact O-CG 3.03Å; R320-R324 PolarHBondContact O-N 2.85Å |
| 321 | L | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 174.5 | -69.1 | 175.7 | 0 | 0 | 0 | 111.1 | E317 Q318 L323 R324 E325 | E317-L321 WeakPolarHBondContact O-CG 3.42Å; E317-L321 PolarHBondContact O-N 3.19Å; Q318-L321 PolarHBondContact O-N 2.9Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.02Å; L321-R324 WeakPolarHBondContact O-CB 3.43Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-R324 VanDerWaalsContact O-N 3.15Å; L321-E325 PolarHBondContact O-N 2.85Å |
| 322 | S | 98.2 | Very high | 98.2 | Very high | 58 Ų | 58 | 102.6 Ų | 102.6 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 175.1 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | Q318 A319 R324 E325 K326 | Q318-S322 PolarHBondContact O-N 3.36Å; A319-S322 PolarHBondContact O-N 3.16Å; S322-R324 PolarHBondContact O-N 2.72Å; S322-E325 WeakPolarHBondContact O-CB 3.47Å; S322-E325 PolarHBondContact O-N 2.91Å; S322-K326 WeakPolarHBondContact O-CG 3.28Å; S322-K326 PolarHBondContact O-N 2.99Å |
| 323 | L | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 103.1 Ų | 103.1 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.9 | -178.8 | 61.3 | 0 | 0 | 0 | 112.5 | A319 L321 K326 Q327 | A319-L323 WeakPolarHBondContact O-CB 3.14Å; A319-L323 PolarHBondContact O-N 3.13Å; L321-L323 VanDerWaalsContact C-N 3.32Å; L321-L323 PolarHBondContact O-N 3.02Å; L323-K326 PolarHBondContact O-N 3.35Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.45Å; L323-Q327 PolarHBondContact O-N 2.82Å |
| 324 | R | 98.3 | Very high | 98.1 | Very high | 125 Ų | 125 | 104.3 Ų | 104.3 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 174.8 | -74.8 | 171.9 | -178.7 | 161.5 | -0.9 | 111.6 | R320 L321 S322 K326 Q327 E328 | R320-R324 WeakPolarHBondContact O-CG 3.03Å; R320-R324 PolarHBondContact O-N 2.85Å; L321-R324 WeakPolarHBondContact O-CB 3.43Å; L321-R324 PolarHBondContact O-N 3.04Å; L321-R324 VanDerWaalsContact O-N 3.15Å; S322-R324 PolarHBondContact O-N 2.72Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.16Å; R324-Q327 WeakPolarHBondContact O-CB 3.41Å; R324-Q327 PolarHBondContact O-N 3.16Å; R324-Q327 VanDerWaalsContact O-N 3.08Å; R324-E328 PolarHBondContact O-N 3.16Å |
| 325 | E | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.8 | -45.1 | 175.6 | -169.7 | -144.4 | 170 | 0 | 0 | 110.9 | L321 S322 Q327 E328 E329 | L321-E325 PolarHBondContact O-N 2.85Å; S322-E325 WeakPolarHBondContact O-CB 3.47Å; S322-E325 PolarHBondContact O-N 2.91Å; E325-Q327 PolarHBondContact O-N 2.82Å; E325-E328 PolarHBondContact O-N 2.78Å; E325-E329 PolarHBondContact O-N 2.82Å |
| 326 | K | 98 | Very high | 98.1 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -34.3 | 175.6 | -59.8 | -38.9 | 175.2 | -138.3 | 0 | 113 | S322 L323 R324 E329 V330 | S322-K326 WeakPolarHBondContact O-CG 3.28Å; S322-K326 PolarHBondContact O-N 2.99Å; L323-K326 PolarHBondContact O-N 3.35Å; R324-K326 VanDerWaalsContact C-N 3.31Å; R324-K326 PolarHBondContact O-N 3.16Å; K326-E329 PolarHBondContact O-N 2.83Å; K326-V330 VanDerWaalsContact O-CG2 3.29Å; K326-V330 WeakPolarHBondContact O-CG2 3.45Å; K326-V330 PolarHBondContact O-N 2.85Å |
| 327 | Q | 98.1 | Very high | 98.1 | Very high | 85 Ų | 85 | 106 Ų | 106 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -37.8 | 172.8 | -73.1 | 177 | 16.1 | 0 | 0 | 112.3 | L323 R324 E325 V330 R331 | L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.45Å; L323-Q327 PolarHBondContact O-N 2.82Å; R324-Q327 WeakPolarHBondContact O-CB 3.41Å; R324-Q327 PolarHBondContact O-N 3.16Å; R324-Q327 VanDerWaalsContact O-N 3.08Å; E325-Q327 PolarHBondContact O-N 2.82Å; Q327-V330 PolarHBondContact O-N 2.8Å; Q327-R331 WeakPolarHBondContact O-CG 3.44Å; Q327-R331 PolarHBondContact O-N 2.86Å |
| 328 | E | 98.1 | Very high | 98 | Very high | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | 175.2 | -72.4 | 177.3 | -169.3 | 0 | 0 | 111.9 | R324 E325 V330 R331 R332 | R324-E328 PolarHBondContact O-N 3.16Å; E325-E328 PolarHBondContact O-N 2.78Å; E328-V330 PolarHBondContact O-N 2.88Å; E328-R331 PolarHBondContact O-N 2.93Å; E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 PolarHBondContact O-N 2.94Å |
| 329 | E | 97.9 | Very high | 98 | Very high | 67 Ų | 67 | 99.8 Ų | 99.8 | 31% | 0.313 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 171.7 | -176.2 | 57.1 | -144.5 | 0 | 0 | 111.5 | E325 K326 R331 R332 L333 | E325-E329 PolarHBondContact O-N 2.82Å; K326-E329 PolarHBondContact O-N 2.83Å; E329-R331 PolarHBondContact O-N 3.19Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 2.76Å; E329-R332 IonicContact OE1-CZ 3.07Å; E329-R332 IonicContact OE1-NE 2.73Å; E329-R332 PolarHBondContact OE1-NE 3.43Å; E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 2.9Å; E329-R332 IonicContact OE2-CZ 3.88Å; E329-R332 IonicContact OE2-NE 2.64Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH1 3.77Å; E329-R332 IonicContact OE2-NH2 3.25Å; E329-R332 PolarHBondContact OE2-NH2 3.32Å; E329-L333 HydrophobicContact CG-CD1 4.22Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 2.85Å |
| 330 | V | 98.1 | Very high | 97.9 | Very high | 75 Ų | 75 | 99.6 Ų | 99.6 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 175.5 | 168.7 | 0 | 0 | 0 | 0 | 111.7 | K326 Q327 E328 R332 L333 Q334 | K326-V330 VanDerWaalsContact O-CG2 3.29Å; K326-V330 WeakPolarHBondContact O-CG2 3.45Å; K326-V330 PolarHBondContact O-N 2.85Å; Q327-V330 PolarHBondContact O-N 2.8Å; E328-V330 PolarHBondContact O-N 2.88Å; V330-R332 VanDerWaalsContact C-N 3.35Å; V330-R332 PolarHBondContact O-N 2.9Å; V330-L333 PolarHBondContact O-N 3Å; V330-Q334 HydrophobicContact CG1-CG 4.45Å; V330-Q334 WeakPolarHBondContact O-CB 3.45Å; V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.36Å |
| 331 | R | 98.3 | Very high | 97.8 | Very high | 135 Ų | 135 | 99.7 Ų | 99.7 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 174.8 | -73.5 | 178.2 | -168.3 | 104.2 | 5 | 111.8 | Q327 E328 E329 Q334 Q335 | Q327-R331 WeakPolarHBondContact O-CG 3.44Å; Q327-R331 PolarHBondContact O-N 2.86Å; E328-R331 PolarHBondContact O-N 2.93Å; E329-R331 PolarHBondContact O-N 3.19Å; R331-Q334 PolarHBondContact O-N 2.99Å; R331-Q335 PolarHBondContact O-N 3.02Å |
| 332 | R | 98.3 | Very high | 97.8 | Very high | 153 Ų | 153 | 101.9 Ų | 101.9 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 176.5 | -172.3 | -179.3 | 73.9 | 165.1 | 4.2 | 111.6 | E328 E329 V330 Q335 A336 | E328-R332 WeakPolarHBondContact O-CB 3.41Å; E328-R332 PolarHBondContact O-N 2.94Å; E329-R332 WeakPolarHBondContact O-CB 3.41Å; E329-R332 PolarHBondContact O-N 2.76Å; E329-R332 IonicContact OE1-CZ 3.07Å; E329-R332 IonicContact OE1-NE 2.73Å; E329-R332 PolarHBondContact OE1-NE 3.43Å; E329-R332 IonicContact OE1-NH2 2.78Å; E329-R332 PolarHBondContact OE1-NH2 2.9Å; E329-R332 IonicContact OE2-CZ 3.88Å; E329-R332 IonicContact OE2-NE 2.64Å; E329-R332 PolarHBondContact OE2-NE 2.9Å; E329-R332 IonicContact OE2-NH1 3.77Å; E329-R332 IonicContact OE2-NH2 3.25Å; E329-R332 PolarHBondContact OE2-NH2 3.32Å; V330-R332 VanDerWaalsContact C-N 3.35Å; V330-R332 PolarHBondContact O-N 2.9Å; R332-Q335 PolarHBondContact O-N 3.13Å; R332-A336 WeakPolarHBondContact O-CB 3.19Å; R332-A336 PolarHBondContact O-N 3.37Å |
| 333 | L | 98.1 | Very high | 97.7 | Very high | 101 Ų | 101 | 105.3 Ų | 105.3 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -40.6 | 176.4 | -68.6 | 171.6 | 0 | 0 | 0 | 112.1 | E329 V330 A336 Q337 | E329-L333 HydrophobicContact CG-CD1 4.22Å; E329-L333 WeakPolarHBondContact O-CG 3.41Å; E329-L333 PolarHBondContact O-N 2.85Å; V330-L333 PolarHBondContact O-N 3Å; L333-A336 PolarHBondContact O-N 3.12Å; L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å |
| 334 | Q | 97.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.9 | -74.7 | 173.8 | -12.5 | 0 | 0 | 112.1 | V330 R331 Q337 A338 | V330-Q334 HydrophobicContact CG1-CG 4.45Å; V330-Q334 WeakPolarHBondContact O-CB 3.45Å; V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.36Å; R331-Q334 PolarHBondContact O-N 2.99Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q334-A338 PolarHBondContact O-N 3.15Å |
| 335 | Q | 98 | Very high | 97.4 | Very high | 140 Ų | 140 | 106.1 Ų | 106.1 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 175.6 | -178.4 | 177.2 | -9.6 | 0 | 0 | 111.6 | R331 R332 Q337 A338 E339 | R331-Q335 PolarHBondContact O-N 3.02Å; R332-Q335 PolarHBondContact O-N 3.13Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.02Å; Q335-A338 PolarHBondContact O-N 3.44Å; Q335-E339 WeakPolarHBondContact O-CB 3.41Å; Q335-E339 PolarHBondContact O-N 3.35Å |
| 336 | A | 97.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 102.6 Ų | 102.6 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R332 L333 A340 | R332-A336 WeakPolarHBondContact O-CB 3.19Å; R332-A336 PolarHBondContact O-N 3.37Å; L333-A336 PolarHBondContact O-N 3.12Å; A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.06Å |
| 337 | Q | 97.5 | Very high | 97.2 | Very high | 119 Ų | 119 | 99.9 Ų | 99.9 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 174.5 | -175.1 | 176.7 | 4.2 | 0 | 0 | 112.1 | L333 Q334 Q335 A340 Q341 | L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 PolarHBondContact O-N 3.07Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q335-Q337 VanDerWaalsContact C-N 3.3Å; Q335-Q337 PolarHBondContact O-N 3.02Å; Q337-A340 PolarHBondContact O-N 3.4Å; Q337-Q341 WeakPolarHBondContact O-CB 3.47Å; Q337-Q341 WeakPolarHBondContact O-CG 3.38Å; Q337-Q341 PolarHBondContact O-N 3.01Å |
| 338 | A | 97.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q334 Q335 Q341 R342 | Q334-A338 PolarHBondContact O-N 3.15Å; Q335-A338 PolarHBondContact O-N 3.44Å; A338-Q341 PolarHBondContact O-N 2.89Å; A338-R342 WeakPolarHBondContact O-CB 3.15Å; A338-R342 PolarHBondContact O-N 2.81Å |
| 339 | E | 97 | Very high | 97 | Very high | 86 Ų | 86 | 97.2 Ų | 97.2 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 172.9 | 178 | 146.5 | -112.7 | 0 | 0 | 111.6 | Q335 Q341 R342 E343 | Q335-E339 WeakPolarHBondContact O-CB 3.41Å; Q335-E339 PolarHBondContact O-N 3.35Å; E339-Q341 VanDerWaalsContact C-N 3.3Å; E339-Q341 PolarHBondContact O-N 2.86Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.98Å; E339-R342 IonicContact OE1-NH2 3.12Å; E339-R342 PolarHBondContact OE1-NH2 2.9Å; E339-E343 WeakPolarHBondContact O-CG 3.45Å; E339-E343 PolarHBondContact O-N 2.87Å |
| 340 | A | 97 | Very high | 97 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A336 Q337 H344 | A336-A340 WeakPolarHBondContact O-CB 3.31Å; A336-A340 PolarHBondContact O-N 3.06Å; Q337-A340 PolarHBondContact O-N 3.4Å; A340-H344 VanDerWaalsContact O-CB 3.3Å; A340-H344 WeakPolarHBondContact O-CB 3.06Å; A340-H344 PolarHBondContact O-N 3.32Å |
| 341 | Q | 96.8 | Very high | 96.9 | Very high | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -44.2 | 172.7 | -79.3 | 177.6 | -20.5 | 0 | 0 | 112 | Q337 A338 E339 H344 E345 | Q337-Q341 WeakPolarHBondContact O-CB 3.47Å; Q337-Q341 WeakPolarHBondContact O-CG 3.38Å; Q337-Q341 PolarHBondContact O-N 3.01Å; A338-Q341 PolarHBondContact O-N 2.89Å; E339-Q341 VanDerWaalsContact C-N 3.3Å; E339-Q341 PolarHBondContact O-N 2.86Å; Q341-H344 WeakPolarHBondContact O-CB 3.48Å; Q341-H344 PolarHBondContact O-N 3.39Å; Q341-E345 WeakPolarHBondContact O-CB 3.47Å; Q341-E345 PolarHBondContact O-N 2.94Å |
| 342 | R | 97.1 | Very high | 96.8 | Very high | 151 Ų | 151 | 100.7 Ų | 100.7 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.2 | -40 | 176.4 | -177.6 | -171.3 | 66 | -160.1 | -3.8 | 112.2 | A338 E339 E345 G346 | A338-R342 WeakPolarHBondContact O-CB 3.15Å; A338-R342 PolarHBondContact O-N 2.81Å; E339-R342 PolarHBondContact O-N 2.88Å; E339-R342 IonicContact OE1-CZ 3.98Å; E339-R342 IonicContact OE1-NH2 3.12Å; E339-R342 PolarHBondContact OE1-NH2 2.9Å; R342-E345 PolarHBondContact O-N 2.93Å; R342-G346 PolarHBondContact O-N 3.03Å |
| 343 | E | 95.8 | Very high | 96.7 | Very high | 131 Ų | 131 | 97.1 Ų | 97.1 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 173.4 | -72.8 | -174.6 | 169.8 | 0 | 0 | 111.8 | E339 G346 A347 | E339-E343 WeakPolarHBondContact O-CG 3.45Å; E339-E343 PolarHBondContact O-N 2.87Å; E343-G346 PolarHBondContact O-N 3.34Å; E343-A347 WeakPolarHBondContact O-CB 3.14Å; E343-A347 PolarHBondContact O-N 3.13Å |
| 344 | H | 96.1 | Very high | 96.6 | Very high | 130 Ų | 130 | 95.5 Ų | 95.5 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 174.3 | 177.9 | 61.3 | 0 | 0 | 0 | 111.8 | A340 Q341 A347 V348 | A340-H344 VanDerWaalsContact O-CB 3.3Å; A340-H344 WeakPolarHBondContact O-CB 3.06Å; A340-H344 PolarHBondContact O-N 3.32Å; Q341-H344 WeakPolarHBondContact O-CB 3.48Å; Q341-H344 PolarHBondContact O-N 3.39Å; H344-A347 WeakPolarHBondContact O-CB 3.33Å; H344-A347 PolarHBondContact O-N 2.77Å; H344-V348 WeakPolarHBondContact O-CG2 3.48Å; H344-V348 PolarHBondContact O-N 2.72Å |
| 345 | E | 95.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 94.6 Ų | 94.6 | 53% | 0.528 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 176.4 | -166.6 | -169.8 | 159.4 | 0 | 0 | 111.3 | Q341 R342 A347 V348 Q349 | Q341-E345 WeakPolarHBondContact O-CB 3.47Å; Q341-E345 PolarHBondContact O-N 2.94Å; R342-E345 PolarHBondContact O-N 2.93Å; E345-A347 VanDerWaalsContact C-N 3.3Å; E345-A347 PolarHBondContact O-N 3.15Å; E345-V348 PolarHBondContact O-N 2.66Å; E345-V348 VanDerWaalsContact O-N 3.12Å; E345-Q349 WeakPolarHBondContact O-CG 3.22Å; E345-Q349 PolarHBondContact O-N 3.23Å; E345-Q349 PolarHBondContact OE1-NE2 3.34Å |
| 346 | G | 95.7 | Very high | 96.5 | Very high | 36 Ų | 36 | 92.6 Ų | 92.6 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R342 E343 L350 | R342-G346 PolarHBondContact O-N 3.03Å; E343-G346 PolarHBondContact O-N 3.34Å; G346-L350 WeakPolarHBondContact O-CB 3.23Å; G346-L350 PolarHBondContact O-N 3.13Å; G346-L350 VanDerWaalsContact O-N 3.11Å |
| 347 | A | 96.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 92.9 Ų | 92.9 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E343 H344 E345 L350 L351 | E343-A347 WeakPolarHBondContact O-CB 3.14Å; E343-A347 PolarHBondContact O-N 3.13Å; H344-A347 WeakPolarHBondContact O-CB 3.33Å; H344-A347 PolarHBondContact O-N 2.77Å; E345-A347 VanDerWaalsContact C-N 3.3Å; E345-A347 PolarHBondContact O-N 3.15Å; A347-L350 PolarHBondContact O-N 2.9Å; A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.92Å; A347-L351 VanDerWaalsContact O-N 3.12Å |
| 348 | V | 96.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 92.6 Ų | 92.6 | 32% | 0.315 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 174.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | H344 E345 L350 L351 E352 | H344-V348 WeakPolarHBondContact O-CG2 3.48Å; H344-V348 PolarHBondContact O-N 2.72Å; E345-V348 PolarHBondContact O-N 2.66Å; E345-V348 VanDerWaalsContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.89Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.42Å; V348-L351 PolarHBondContact O-N 3.04Å; V348-E352 HydrophobicContact CG1-CG 4.31Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 2.83Å |
| 349 | Q | 95.5 | Very high | 96.3 | Very high | 104 Ų | 104 | 93.7 Ų | 93.7 | 49% | 0.486 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -37.5 | 177 | -69.6 | 175.5 | 13.4 | 0 | 0 | 112.4 | E345 S353 | E345-Q349 WeakPolarHBondContact O-CG 3.22Å; E345-Q349 PolarHBondContact O-N 3.23Å; E345-Q349 PolarHBondContact OE1-NE2 3.34Å; Q349-S353 WeakPolarHBondContact O-CB 3.34Å; Q349-S353 PolarHBondContact O-N 2.79Å |
| 350 | L | 96.6 | Very high | 96.1 | Very high | 117 Ų | 117 | 92.3 Ų | 92.3 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 174.6 | -178.8 | 62.3 | 0 | 0 | 0 | 112.5 | G346 A347 V348 T354 | G346-L350 WeakPolarHBondContact O-CB 3.23Å; G346-L350 PolarHBondContact O-N 3.13Å; G346-L350 VanDerWaalsContact O-N 3.11Å; A347-L350 PolarHBondContact O-N 2.9Å; V348-L350 VanDerWaalsContact C-N 3.26Å; V348-L350 PolarHBondContact O-N 2.89Å; L350-T354 WeakPolarHBondContact O-CB 3.34Å; L350-T354 PolarHBondContact O-N 3.03Å; L350-T354 PolarHBondContact O-OG1 3.28Å |
| 351 | L | 96.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 97.4 Ų | 97.4 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.9 | -41.2 | 175.6 | -71.8 | 170.6 | 0 | 0 | 0 | 111.8 | A347 V348 T354 L355 | A347-L351 WeakPolarHBondContact O-CG 3.26Å; A347-L351 PolarHBondContact O-N 2.92Å; A347-L351 VanDerWaalsContact O-N 3.12Å; V348-L351 WeakPolarHBondContact O-CA 3.42Å; V348-L351 WeakPolarHBondContact O-CB 3.42Å; V348-L351 PolarHBondContact O-N 3.04Å; L351-T354 PolarHBondContact O-N 2.8Å; L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 PolarHBondContact O-N 2.91Å |
| 352 | E | 95.9 | Very high | 96.1 | Very high | 112 Ų | 112 | 95.4 Ų | 95.4 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 174.4 | -70.9 | 178.4 | 156.3 | 0 | 0 | 111.2 | V348 T354 L355 D356 | V348-E352 HydrophobicContact CG1-CG 4.31Å; V348-E352 WeakPolarHBondContact O-CG 3.44Å; V348-E352 PolarHBondContact O-N 2.83Å; E352-T354 VanDerWaalsContact C-N 3.27Å; E352-T354 PolarHBondContact O-N 2.99Å; E352-L355 WeakPolarHBondContact O-CB 3.37Å; E352-L355 PolarHBondContact O-N 3.35Å; E352-D356 PolarHBondContact O-N 2.81Å |
| 353 | S | 95.9 | Very high | 95.9 | Very high | 78 Ų | 78 | 95.5 Ų | 95.5 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | Q349 S357 | Q349-S353 WeakPolarHBondContact O-CB 3.34Å; Q349-S353 PolarHBondContact O-N 2.79Å; S353-S357 VanDerWaalsContact O-CB 3.32Å; S353-S357 WeakPolarHBondContact O-CB 3.5Å; S353-S357 PolarHBondContact O-N 3.11Å |
| 354 | T | 96.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 94.4 Ų | 94.4 | 41% | 0.411 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 174.6 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | L350 L351 E352 S357 M358 | L350-T354 WeakPolarHBondContact O-CB 3.34Å; L350-T354 PolarHBondContact O-N 3.03Å; L350-T354 PolarHBondContact O-OG1 3.28Å; L351-T354 PolarHBondContact O-N 2.8Å; E352-T354 VanDerWaalsContact C-N 3.27Å; E352-T354 PolarHBondContact O-N 2.99Å; T354-S357 PolarHBondContact O-N 2.91Å; T354-M358 HydrophobicContact CG2-SD 4.47Å; T354-M358 WeakPolarHBondContact O-CG 3.4Å; T354-M358 PolarHBondContact O-N 2.95Å |
| 355 | L | 97.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 176.8 | -179.3 | 63.7 | 0 | 0 | 0 | 111.5 | L351 E352 M358 Q359 | L351-L355 WeakPolarHBondContact O-CB 3.43Å; L351-L355 PolarHBondContact O-N 2.91Å; E352-L355 WeakPolarHBondContact O-CB 3.37Å; E352-L355 PolarHBondContact O-N 3.35Å; L355-M358 CarbonylContact O-C 3.53Å; L355-M358 WeakPolarHBondContact O-CB 3.23Å; L355-M358 PolarHBondContact O-N 2.91Å; L355-Q359 WeakPolarHBondContact O-CG 3.38Å; L355-Q359 PolarHBondContact O-N 2.93Å |
| 356 | D | 96.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 92 Ų | 92 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.2 | -79 | -17.1 | 0 | 0 | 0 | 111.8 | E352 M358 Q359 A360 | E352-D356 PolarHBondContact O-N 2.81Å; D356-M358 VanDerWaalsContact C-N 3.34Å; D356-M358 PolarHBondContact O-N 2.83Å; D356-Q359 PolarHBondContact O-N 2.97Å; D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.96Å |
| 357 | S | 95.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 96.5 Ų | 96.5 | 42% | 0.42 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 172.8 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | S353 T354 A360 R361 | S353-S357 VanDerWaalsContact O-CB 3.32Å; S353-S357 WeakPolarHBondContact O-CB 3.5Å; S353-S357 PolarHBondContact O-N 3.11Å; T354-S357 PolarHBondContact O-N 2.91Å; S357-A360 PolarHBondContact O-N 2.96Å; S357-R361 WeakPolarHBondContact O-CG 2.99Å; S357-R361 PolarHBondContact O-N 3.43Å; S357-R361 VanDerWaalsContact O-N 3.09Å |
| 358 | M | 95.7 | Very high | 95.6 | Very high | 113 Ų | 113 | 98.4 Ų | 98.4 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 172.9 | -73.4 | 179 | 62.8 | 0 | 0 | 112.2 | T354 L355 D356 R361 V362 | T354-M358 HydrophobicContact CG2-SD 4.47Å; T354-M358 WeakPolarHBondContact O-CG 3.4Å; T354-M358 PolarHBondContact O-N 2.95Å; L355-M358 CarbonylContact O-C 3.53Å; L355-M358 WeakPolarHBondContact O-CB 3.23Å; L355-M358 PolarHBondContact O-N 2.91Å; D356-M358 VanDerWaalsContact C-N 3.34Å; D356-M358 PolarHBondContact O-N 2.83Å; M358-R361 PolarHBondContact O-N 3.3Å; M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3.41Å |
| 359 | Q | 96 | Very high | 95.4 | Very high | 77 Ų | 77 | 99.6 Ų | 99.6 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.6 | -73.2 | -175.7 | 39.2 | 0 | 0 | 111.9 | L355 D356 V362 R363 | L355-Q359 WeakPolarHBondContact O-CG 3.38Å; L355-Q359 PolarHBondContact O-N 2.93Å; D356-Q359 PolarHBondContact O-N 2.97Å; Q359-V362 PolarHBondContact O-N 3.07Å; Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 3.18Å |
| 360 | A | 94.8 | Very high | 95.2 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D356 S357 V362 R363 E364 | D356-A360 WeakPolarHBondContact O-CB 3.46Å; D356-A360 PolarHBondContact O-N 2.96Å; S357-A360 PolarHBondContact O-N 2.96Å; A360-V362 PolarHBondContact O-N 3.45Å; A360-R363 PolarHBondContact O-N 2.94Å; A360-E364 PolarHBondContact O-N 2.8Å |
| 361 | R | 95.6 | Very high | 95 | Very high | 163 Ų | 163 | 97.6 Ų | 97.6 | 62% | 0.615 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.6 | -38.4 | 173.5 | -72.1 | 175.9 | 179.5 | -166.5 | 0.2 | 113 | S357 M358 E364 L365 | S357-R361 WeakPolarHBondContact O-CG 2.99Å; S357-R361 PolarHBondContact O-N 3.43Å; S357-R361 VanDerWaalsContact O-N 3.09Å; M358-R361 PolarHBondContact O-N 3.3Å; R361-E364 PolarHBondContact O-N 3.36Å; R361-L365 WeakPolarHBondContact O-CB 3.31Å; R361-L365 VanDerWaalsContact O-CG 3.27Å; R361-L365 WeakPolarHBondContact O-CG 3.49Å; R361-L365 PolarHBondContact O-N 2.89Å |
| 362 | V | 96.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 97 Ų | 97 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | M358 Q359 A360 E364 L365 E366 | M358-V362 WeakPolarHBondContact O-CG2 3.4Å; M358-V362 PolarHBondContact O-N 3.41Å; Q359-V362 PolarHBondContact O-N 3.07Å; A360-V362 PolarHBondContact O-N 3.45Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3Å; V362-L365 PolarHBondContact O-N 2.77Å; V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 VanDerWaalsContact O-CG 3.32Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.13Å |
| 363 | R | 94.8 | Very high | 94.4 | Very high | 154 Ų | 154 | 96 Ų | 96 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 176.3 | -69.2 | 176.5 | -167.7 | 176.7 | 9.4 | 112.4 | Q359 A360 E366 E367 | Q359-R363 WeakPolarHBondContact O-CG 3.48Å; Q359-R363 PolarHBondContact O-N 3.18Å; A360-R363 PolarHBondContact O-N 2.94Å; R363-E366 PolarHBondContact O-N 2.84Å; R363-E367 WeakPolarHBondContact O-CB 2.99Å; R363-E367 PolarHBondContact O-N 2.97Å |
| 364 | E | 95 | Very high | 94.3 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 174.3 | -172.3 | -172.5 | 174.9 | 0 | 0 | 111.2 | A360 R361 V362 E366 E367 Q368 | A360-E364 PolarHBondContact O-N 2.8Å; R361-E364 PolarHBondContact O-N 3.36Å; V362-E364 VanDerWaalsContact C-N 3.34Å; V362-E364 PolarHBondContact O-N 3Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 2.92Å; E364-E367 PolarHBondContact O-N 3.01Å; E364-E367 VanDerWaalsContact O-N 3.16Å; E364-Q368 WeakPolarHBondContact O-CG 3.37Å; E364-Q368 PolarHBondContact O-N 2.64Å; E364-Q368 PolarHBondContact OE1-NE2 2.98Å |
| 365 | L | 94.5 | Very high | 94 | Very high | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 175.7 | -72.2 | 168.4 | 0 | 0 | 0 | 112.3 | R361 V362 Q368 C369 | R361-L365 WeakPolarHBondContact O-CB 3.31Å; R361-L365 VanDerWaalsContact O-CG 3.27Å; R361-L365 WeakPolarHBondContact O-CG 3.49Å; R361-L365 PolarHBondContact O-N 2.89Å; V362-L365 PolarHBondContact O-N 2.77Å; L365-Q368 PolarHBondContact O-N 3.28Å; L365-C369 WeakPolarHBondContact O-CB 3.21Å; L365-C369 PolarHBondContact O-N 3.2Å; L365-C369 PolarHBondContact O-SG 3.43Å |
| 366 | E | 94.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 103.1 Ų | 103.1 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 172.2 | -74.1 | 174.2 | 176.1 | 0 | 0 | 112.4 | V362 R363 E364 R370 | V362-E366 HydrophobicContact CG1-CG 4.38Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 VanDerWaalsContact O-CG 3.32Å; V362-E366 WeakPolarHBondContact O-CG 3.49Å; V362-E366 PolarHBondContact O-N 3.13Å; R363-E366 PolarHBondContact O-N 2.84Å; E364-E366 VanDerWaalsContact C-N 3.34Å; E364-E366 PolarHBondContact O-N 2.92Å; E366-R370 WeakPolarHBondContact O-CB 3.4Å; E366-R370 VanDerWaalsContact O-CG 3.3Å; E366-R370 WeakPolarHBondContact O-CG 3.48Å; E366-R370 PolarHBondContact O-N 3.27Å; E366-R370 PolarHBondContact O-NE 3.23Å; E366-R370 IonicContact OE2-NH2 3.73Å |
| 367 | E | 94.9 | Very high | 93.3 | Very high | 131 Ų | 131 | 101.1 Ų | 101.1 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.3 | -38.6 | 174.1 | -171.5 | 168.8 | -166.4 | 0 | 0 | 111.9 | R363 E364 R370 S371 | R363-E367 WeakPolarHBondContact O-CB 2.99Å; R363-E367 PolarHBondContact O-N 2.97Å; E364-E367 PolarHBondContact O-N 3.01Å; E364-E367 VanDerWaalsContact O-N 3.16Å; E367-R370 PolarHBondContact O-N 3.15Å; E367-S371 WeakPolarHBondContact O-CB 3.08Å; E367-S371 PolarHBondContact O-N 2.83Å; E367-S371 PolarHBondContact O-OG 2.88Å |
| 368 | Q | 93.8 | Very high | 93 | Very high | 90 Ų | 90 | 103.4 Ų | 103.4 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 170.1 | -69.7 | 175.6 | 13.4 | 0 | 0 | 111.4 | E364 L365 S371 Q372 | E364-Q368 WeakPolarHBondContact O-CG 3.37Å; E364-Q368 PolarHBondContact O-N 2.64Å; E364-Q368 PolarHBondContact OE1-NE2 2.98Å; L365-Q368 PolarHBondContact O-N 3.28Å; Q368-S371 WeakPolarHBondContact CA-OG 3.45Å; Q368-S371 PolarHBondContact O-OG 2.64Å; Q368-S371 VanDerWaalsContact O-OG 3.06Å; Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.42Å; Q368-Q372 PolarHBondContact O-N 2.88Å |
| 369 | C | 91.8 | Very high | 92.4 | Very high | 76 Ų | 76 | 102.2 Ų | 102.2 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.3 | -73.6 | 0 | 0 | 0 | 0 | 112.6 | L365 T373 | L365-C369 WeakPolarHBondContact O-CB 3.21Å; L365-C369 PolarHBondContact O-N 3.2Å; L365-C369 PolarHBondContact O-SG 3.43Å; C369-T373 WeakPolarHBondContact O-CB 3.25Å; C369-T373 PolarHBondContact O-N 2.84Å; C369-T373 PolarHBondContact O-OG1 3.37Å |
| 370 | R | 92.3 | Very high | 91.8 | Very high | 133 Ų | 133 | 101 Ų | 101 | 50% | 0.502 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 176.4 | -81.8 | 175.3 | -74.5 | -155.4 | -2.8 | 111.6 | E366 E367 Q372 T373 E374 | E366-R370 WeakPolarHBondContact O-CB 3.4Å; E366-R370 VanDerWaalsContact O-CG 3.3Å; E366-R370 WeakPolarHBondContact O-CG 3.48Å; E366-R370 PolarHBondContact O-N 3.27Å; E366-R370 PolarHBondContact O-NE 3.23Å; E366-R370 IonicContact OE2-NH2 3.73Å; E367-R370 PolarHBondContact O-N 3.15Å; R370-Q372 PolarHBondContact O-N 2.88Å; R370-T373 CarbonylContact O-C 3.53Å; R370-T373 WeakPolarHBondContact O-CA 3.33Å; R370-T373 WeakPolarHBondContact O-CB 3.48Å; R370-T373 PolarHBondContact O-N 2.98Å; R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 2.82Å |
| 371 | S | 90.9 | Very high | 91.3 | Very high | 46 Ų | 46 | 103.9 Ų | 103.9 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | E367 Q368 E374 Q375 | E367-S371 WeakPolarHBondContact O-CB 3.08Å; E367-S371 PolarHBondContact O-N 2.83Å; E367-S371 PolarHBondContact O-OG 2.88Å; Q368-S371 WeakPolarHBondContact CA-OG 3.45Å; Q368-S371 PolarHBondContact O-OG 2.64Å; Q368-S371 VanDerWaalsContact O-OG 3.06Å; S371-E374 PolarHBondContact O-N 2.84Å; S371-Q375 VanDerWaalsContact O-CG 3.3Å; S371-Q375 WeakPolarHBondContact O-CG 3.45Å; S371-Q375 PolarHBondContact O-N 2.96Å |
| 372 | Q | 89.9 | Confident | 90.6 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 168 | -77.6 | -172.2 | 7.8 | 0 | 0 | 112.2 | Q368 R370 E374 Q375 F376 | Q368-Q372 WeakPolarHBondContact O-CB 3.24Å; Q368-Q372 WeakPolarHBondContact O-CG 3.42Å; Q368-Q372 PolarHBondContact O-N 2.88Å; R370-Q372 PolarHBondContact O-N 2.88Å; Q372-E374 VanDerWaalsContact C-N 3.31Å; Q372-E374 PolarHBondContact O-N 2.96Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.88Å; Q372-F376 HydrophobicContact CB-CE2 4.49Å; Q372-F376 WeakPolarHBondContact O-CD2 3.37Å; Q372-F376 PolarHBondContact O-N 3.11Å |
| 373 | T | 91.8 | Very high | 89.6 | Confident | 92 Ų | 92 | 102.8 Ų | 102.8 | 56% | 0.564 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.4 | -37.9 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | C369 R370 F376 S377 | C369-T373 WeakPolarHBondContact O-CB 3.25Å; C369-T373 PolarHBondContact O-N 2.84Å; C369-T373 PolarHBondContact O-OG1 3.37Å; R370-T373 CarbonylContact O-C 3.53Å; R370-T373 WeakPolarHBondContact O-CA 3.33Å; R370-T373 WeakPolarHBondContact O-CB 3.48Å; R370-T373 PolarHBondContact O-N 2.98Å; T373-F376 PolarHBondContact O-N 3.43Å; T373-S377 WeakPolarHBondContact O-CB 2.97Å; T373-S377 PolarHBondContact O-N 3Å |
| 374 | E | 91.9 | Very high | 88.7 | Confident | 126 Ų | 126 | 101.4 Ų | 101.4 | 59% | 0.589 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66 | -42.1 | 172.9 | -72.1 | 172.8 | -179 | 0 | 0 | 111.8 | R370 S371 Q372 F376 S377 L378 | R370-E374 WeakPolarHBondContact O-CG 3.41Å; R370-E374 PolarHBondContact O-N 2.82Å; S371-E374 PolarHBondContact O-N 2.84Å; Q372-E374 VanDerWaalsContact C-N 3.31Å; Q372-E374 PolarHBondContact O-N 2.96Å; E374-F376 PolarHBondContact O-N 2.88Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 3.04Å; E374-S377 VanDerWaalsContact O-N 3.14Å; E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 3.18Å |
| 375 | Q | 89.9 | Confident | 87.4 | Confident | 128 Ų | 128 | 98.6 Ų | 98.6 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 172.1 | -72.1 | 171 | 8.2 | 0 | 0 | 111.8 | S371 Q372 S377 L378 L379 | S371-Q375 VanDerWaalsContact O-CG 3.3Å; S371-Q375 WeakPolarHBondContact O-CG 3.45Å; S371-Q375 PolarHBondContact O-N 2.96Å; Q372-Q375 WeakPolarHBondContact O-CB 3.35Å; Q372-Q375 PolarHBondContact O-N 2.88Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.36Å; Q375-L378 PolarHBondContact O-N 3.47Å; Q375-L379 WeakPolarHBondContact O-CB 3.46Å; Q375-L379 PolarHBondContact O-N 2.85Å |
| 376 | F | 90 | Very high | 85.7 | Confident | 137 Ų | 137 | 101.6 Ų | 101.6 | 60% | 0.601 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -33.8 | 173 | -74.4 | -60.4 | 0 | 0 | 0 | 112.7 | Q372 T373 E374 A380 | Q372-F376 HydrophobicContact CB-CE2 4.49Å; Q372-F376 WeakPolarHBondContact O-CD2 3.37Å; Q372-F376 PolarHBondContact O-N 3.11Å; T373-F376 PolarHBondContact O-N 3.43Å; E374-F376 PolarHBondContact O-N 2.88Å; F376-A380 VanDerWaalsContact O-CB 3.24Å; F376-A380 WeakPolarHBondContact O-CB 3.46Å; F376-A380 PolarHBondContact O-N 2.82Å |
| 377 | S | 88.8 | Confident | 84.3 | Confident | 57 Ų | 57 | 107.5 Ų | 107.5 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | T373 E374 Q375 A380 Q381 | T373-S377 WeakPolarHBondContact O-CB 2.97Å; T373-S377 PolarHBondContact O-N 3Å; E374-S377 WeakPolarHBondContact O-CB 3.41Å; E374-S377 PolarHBondContact O-N 3.04Å; E374-S377 VanDerWaalsContact O-N 3.14Å; Q375-S377 VanDerWaalsContact C-N 3.32Å; Q375-S377 PolarHBondContact O-N 3.36Å; S377-A380 PolarHBondContact O-N 2.96Å; S377-Q381 WeakPolarHBondContact O-CG 3.48Å; S377-Q381 PolarHBondContact O-N 3.17Å |
| 378 | L | 88.8 | Confident | 82.5 | Confident | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 173.1 | -70.1 | 171.2 | 0 | 0 | 0 | 110.9 | E374 Q375 A380 Q381 E382 | E374-L378 WeakPolarHBondContact O-CG 3.49Å; E374-L378 PolarHBondContact O-N 3.18Å; Q375-L378 PolarHBondContact O-N 3.47Å; L378-A380 VanDerWaalsContact C-N 3.3Å; L378-A380 PolarHBondContact O-N 2.97Å; L378-Q381 WeakPolarHBondContact O-CB 3.29Å; L378-Q381 PolarHBondContact O-N 3.07Å; L378-Q381 VanDerWaalsContact O-N 3.14Å; L378-E382 PolarHBondContact O-N 3.04Å |
| 379 | L | 84.1 | Confident | 80.2 | Confident | 88 Ų | 88 | 110.6 Ų | 110.6 | 46% | 0.461 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.8 | -38.3 | 174.8 | -173.2 | 70.4 | 0 | 0 | 0 | 112.1 | Q375 E382 L383 | Q375-L379 WeakPolarHBondContact O-CB 3.46Å; Q375-L379 PolarHBondContact O-N 2.85Å; L379-E382 PolarHBondContact O-N 3.25Å; L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.6Å |
| 380 | A | 84.3 | Confident | 78 | Confident | 53 Ų | 53 | 113.3 Ų | 113.3 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F376 S377 L378 L383 Q384 | F376-A380 VanDerWaalsContact O-CB 3.24Å; F376-A380 WeakPolarHBondContact O-CB 3.46Å; F376-A380 PolarHBondContact O-N 2.82Å; S377-A380 PolarHBondContact O-N 2.96Å; L378-A380 VanDerWaalsContact C-N 3.3Å; L378-A380 PolarHBondContact O-N 2.97Å; A380-L383 PolarHBondContact O-N 2.76Å; A380-Q384 VanDerWaalsContact O-CB 3.27Å; A380-Q384 WeakPolarHBondContact O-CB 3.45Å; A380-Q384 PolarHBondContact O-N 3.11Å |
| 381 | Q | 82.9 | Confident | 75.6 | Confident | 116 Ų | 116 | 109.8 Ų | 109.8 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -41.6 | 173 | -73.1 | 175.7 | 39 | 0 | 0 | 111.7 | S377 L378 Q384 A385 | S377-Q381 WeakPolarHBondContact O-CG 3.48Å; S377-Q381 PolarHBondContact O-N 3.17Å; L378-Q381 WeakPolarHBondContact O-CB 3.29Å; L378-Q381 PolarHBondContact O-N 3.07Å; L378-Q381 VanDerWaalsContact O-N 3.14Å; Q381-Q384 CarbonylContact O-C 3.59Å; Q381-Q384 PolarHBondContact O-N 3.43Å; Q381-A385 WeakPolarHBondContact O-CB 3.5Å; Q381-A385 PolarHBondContact O-N 3.46Å |
| 382 | E | 81.7 | Confident | 73.5 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61 | -48.3 | 172.5 | -73.7 | -176.6 | 171.7 | 0 | 0 | 111.3 | L378 L379 Q384 A385 F386 | L378-E382 PolarHBondContact O-N 3.04Å; L379-E382 PolarHBondContact O-N 3.25Å; E382-Q384 PolarHBondContact O-N 2.83Å; E382-A385 WeakPolarHBondContact O-CB 3.27Å; E382-A385 PolarHBondContact O-N 3.27Å; E382-A385 VanDerWaalsContact O-N 3.13Å; E382-F386 VanDerWaalsContact O-CD2 3.3Å; E382-F386 WeakPolarHBondContact O-CD2 3.42Å; E382-F386 PolarHBondContact O-N 3Å |
| 383 | L | 76.1 | Confident | 71.4 | Confident | 97 Ų | 97 | 116.8 Ų | 116.8 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.8 | -31.5 | 175.3 | -73.2 | 170.9 | 0 | 0 | 0 | 112.8 | L379 A380 R387 | L379-L383 HydrophobicContact CG-CD1 4.34Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.27Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 2.6Å; A380-L383 PolarHBondContact O-N 2.76Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 2.89Å |
| 384 | Q | 75.4 | Confident | 69.1 | Low | 125 Ų | 125 | 119.5 Ų | 119.5 | 58% | 0.584 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -76.4 | -34.3 | 174.5 | -170.7 | 165.6 | -6.8 | 0 | 0 | 112.1 | A380 Q381 E382 R387 L388 | A380-Q384 VanDerWaalsContact O-CB 3.27Å; A380-Q384 WeakPolarHBondContact O-CB 3.45Å; A380-Q384 PolarHBondContact O-N 3.11Å; Q381-Q384 CarbonylContact O-C 3.59Å; Q381-Q384 PolarHBondContact O-N 3.43Å; E382-Q384 PolarHBondContact O-N 2.83Å; Q384-R387 PolarHBondContact O-N 3.49Å; Q384-L388 PolarHBondContact O-N 3.29Å |
| 385 | A | 66.5 | Low | 66.7 | Low | 48 Ų | 48 | 120 Ų | 120 | 40% | 0.397 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65 | -42.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q381 E382 R387 L388 H389 | Q381-A385 WeakPolarHBondContact O-CB 3.5Å; Q381-A385 PolarHBondContact O-N 3.46Å; E382-A385 WeakPolarHBondContact O-CB 3.27Å; E382-A385 PolarHBondContact O-N 3.27Å; E382-A385 VanDerWaalsContact O-N 3.13Å; A385-R387 PolarHBondContact O-N 3.26Å; A385-L388 PolarHBondContact O-N 2.75Å; A385-H389 PolarHBondContact O-CD2 3.45Å |
| 386 | F | 60.4 | Low | 64.3 | Low | 161 Ų | 161 | 120.8 Ų | 120.8 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.6 | -34.3 | 170.7 | -89.6 | -72.5 | 0 | 0 | 0 | 112.6 | E382 L388 | E382-F386 VanDerWaalsContact O-CD2 3.3Å; E382-F386 WeakPolarHBondContact O-CD2 3.42Å; E382-F386 PolarHBondContact O-N 3Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 2.95Å |
| 387 | R | 64 | Low | 61.5 | Low | 219 Ų | 219 | 119.6 Ų | 119.6 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.1 | -14.9 | 175.2 | -76.5 | 176.6 | 173.5 | 156.2 | 0.6 | 114.6 | L383 Q384 A385 | L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 2.89Å; Q384-R387 PolarHBondContact O-N 3.49Å; A385-R387 PolarHBondContact O-N 3.26Å |
| 388 | L | 57.3 | Low | 59 | Low | 134 Ų | 134 | 122.6 Ų | 122.6 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 1.8 | 177.8 | -69.9 | 170.4 | 0 | 0 | 0 | 113.4 | Q384 A385 F386 P390 | Q384-L388 PolarHBondContact O-N 3.29Å; A385-L388 PolarHBondContact O-N 2.75Å; F386-L388 VanDerWaalsContact C-N 3.32Å; F386-L388 PolarHBondContact O-N 2.95Å; L388-P390 WeakPolarHBondContact O-CD 3.39Å |
| 389 | H | 46.1 | Very low | 56.4 | Low | 152 Ų | 152 | 121.2 Ų | 121.2 | 70% | 0.704 | 67% | 0.671 | S | S | * | * | trans | -104.2 | 103.9 | 173.6 | -82.2 | -73.2 | 0 | 0 | 0 | 112.5 | A385 G391 | A385-H389 PolarHBondContact O-CD2 3.45Å; H389-G391 PolarHBondContact O-N 3.32Å | ||
| 390 | P | 44.1 | Very low | 54.2 | Low | 134 Ų | 134 | 124.3 Ų | 124.3 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | trans | -79.5 | 100.9 | 166.5 | 31.1 | -31.2 | 0 | 0 | 0 | 110.2 | L388 | L388-P390 WeakPolarHBondContact O-CD 3.39Š| ||
| 391 | G | 42.7 | Very low | 51.6 | Low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -142.7 | 140.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H389 | H389-G391 PolarHBondContact O-N 3.32Š| ||
| 392 | P | 47.3 | Very low | 49.2 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | trans | -75.6 | 157.7 | -171.7 | -15.9 | 31.8 | 0 | 0 | 0 | 115.1 | ||||
| 393 | L | 46.4 | Very low | 46.9 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -82.2 | 141.1 | 175.7 | -73.7 | 153.4 | 0 | 0 | 0 | 112.8 | ||||
| 394 | D | 42.4 | Very low | 45.1 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -155.9 | 122.7 | 146 | -89.7 | -39.2 | 0 | 0 | 0 | 106.1 | ||||
| 395 | L | 41.8 | Very low | 43.2 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 72% | 0.723 | 74% | 0.742 | S | S | * | * | 62.6 | 118.5 | 64.7 | -64.6 | 174.9 | 0 | 0 | 0 | 111.4 | |||||
| 396 | L | 39 | Very low | 41.6 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | cis | -157.9 | 153 | 15.1 | -91.9 | 152.9 | 0 | 0 | 0 | 112.9 | ||||
| 397 | T | 31.7 | Very low | 40.2 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | 48.7 | 111.8 | 136.6 | -49.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 398 | S | 37 | Very low | 38.7 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -158.3 | 106.1 | 134.2 | -72.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 399 | A | 34.3 | Very low | 38.2 | Very low | 78 Ų | 78 | 122.8 Ų | 122.8 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | 84 | 106.9 | 56.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 400 | L | 36.8 | Very low | 38.3 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 70.9 | 143.6 | 162.1 | -54.9 | 164.7 | 0 | 0 | 0 | 115.4 | ||||
| 401 | D | 29.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 120 Ų | 120 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | cis | -141.9 | 149.1 | 16.3 | -106.4 | -45.2 | 0 | 0 | 0 | 115.4 | ||||
| 402 | C | 32 | Very low | 39.2 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | 9.6 | 154.4 | 137.5 | -53.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 403 | G | 33.3 | Very low | 38.5 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | cis | -143.5 | 158.8 | 8.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 404 | S | 38.1 | Very low | 37.8 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | 66.1 | 132.9 | 85 | -70 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 405 | L | 36.4 | Very low | 37.3 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | cis | -153.5 | 146.1 | 11 | -158.3 | 59 | 0 | 0 | 0 | 107.6 | ||||
| 406 | G | 32.5 | Very low | 36.9 | Very low | 57 Ų | 57 | 117.8 Ų | 117.8 | 59% | 0.588 | 77% | 0.765 | S | S | * | * | 55.9 | 124.8 | 96.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 407 | D | 31.7 | Very low | 36.8 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | cis | -152.2 | 159 | 26.4 | -76.6 | -44.4 | 0 | 0 | 0 | 114.1 | ||||
| 408 | C | 31.7 | Very low | 37.3 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -103.4 | -178.3 | 158.2 | -61.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 409 | P | 48.3 | Very low | 37.1 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -129.7 | -141 | -7.3 | 34.8 | -10.8 | 0 | 0 | 0 | 109.2 | ||||
| 410 | P | 46.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 122.6 Ų | 122.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -118 | 178.8 | -36.4 | 17.7 | 6.2 | 0 | 0 | 0 | 112.7 | ||||
| 411 | P | 60.6 | Low | 37.8 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -78.8 | 165.2 | 177.7 | 34.5 | -38.1 | 0 | 0 | 0 | 113.7 | ||||
| 412 | P | 45.5 | Very low | 38.1 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | -147.4 | -176.7 | 110.5 | 39.4 | -23.4 | 0 | 0 | 0 | 115.4 | |||||
| 413 | C | 33.2 | Very low | 37.9 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -74.8 | 176.1 | -175.9 | -53.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 414 | C | 30.8 | Very low | 38 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | 109.3 | 152.1 | 151.1 | -64.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 415 | C | 32.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -73.5 | 151.9 | -162.2 | -43.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 416 | S | 32.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 166.4 | 135.2 | 114.4 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 417 | I | 36.5 | Very low | 38.7 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 23.6 | 124.8 | 133.7 | -56.2 | 175.1 | 0 | 0 | 0 | 116.2 | ||||
| 418 | P | 43.7 | Very low | 38.5 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -156.9 | 172.2 | 75.4 | 44.2 | -24.2 | 0 | 0 | 0 | 120.2 | |||||
| 419 | Q | 32.2 | Very low | 38.8 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -79.4 | -171.9 | 156.8 | -113.5 | -160.3 | 8.7 | 0 | 0 | 110.8 | ||||
| 420 | P | 58.3 | Low | 38.3 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | cis | -137.1 | -169 | -21.8 | 26.7 | -2.1 | 0 | 0 | 0 | 114.2 | ||||
| 421 | C | 28.1 | Very low | 37.9 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 118.8 | 109.9 | 139.2 | -73.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 422 | R | 34.3 | Very low | 37.5 | Very low | 255 Ų | 255 | 129 Ų | 129 | 96% | 0.962 | 77% | 0.77 | S | S | * | * | trans | 63.1 | 137.7 | 130.2 | -78.7 | -171.3 | 178.8 | -116.8 | 0.3 | 124.6 | ||||
| 423 | G | 29.2 | Very low | 38 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 138 | 134.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 424 | S | 35 | Very low | 37.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | cis | -158.2 | 156.2 | 2.6 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 425 | G | 29.7 | Very low | 38 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -82.6 | -151.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 426 | P | 52.1 | Low | 39.3 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | cis | -130.4 | -156.9 | 21.6 | 43 | -23.1 | 0 | 0 | 0 | 111.7 | ||||
| 427 | K | 39 | Very low | 39.6 | Very low | 159 Ų | 159 | 125.3 Ų | 125.3 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | -159.4 | 170.7 | -0.4 | -151 | 178.1 | 153.9 | -99.8 | 0 | 109.6 | ||||
| 428 | D | 29.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | 69.8 | 149.9 | 154.5 | -64.1 | -33.6 | 0 | 0 | 0 | 118.2 | ||||
| 429 | L | 36.6 | Very low | 38.6 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | cis | -159.1 | 147.5 | -19.4 | -94.2 | 163.2 | 0 | 0 | 0 | 105.4 | ||||
| 430 | D | 37.8 | Very low | 38.7 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | cis | -156.4 | -133.3 | -13.3 | -161.2 | -105.6 | 0 | 0 | 0 | 110.4 | ||||
| 431 | L | 39.8 | Very low | 37.9 | Very low | 146 Ų | 146 | 127.5 Ų | 127.5 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -140.6 | -171 | -161.6 | -71.4 | 171.5 | 0 | 0 | 0 | 111.8 | ||||
| 432 | P | 51.7 | Low | 38.1 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -147.2 | -155.8 | 17.6 | 42.8 | -16.4 | 0 | 0 | 0 | 116.2 | ||||
| 433 | P | 55.1 | Low | 37.9 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -137.4 | 177.8 | -80.1 | 44.2 | -27.4 | 0 | 0 | 0 | 115.9 | |||||
| 434 | G | 27.8 | Very low | 38 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 164.9 | 99.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 435 | S | 37.1 | Very low | 37.7 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -164.9 | -170.1 | 170.9 | -38.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 436 | P | 60.1 | Low | 38.5 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | cis | -133.6 | -168.2 | -20.6 | 33.5 | -11.3 | 0 | 0 | 0 | 113 | ||||
| 437 | G | 38.4 | Very low | 37.2 | Very low | 78 Ų | 78 | 129.4 Ų | 129.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -100 | -168.6 | 177 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 438 | R | 31.4 | Very low | 37.6 | Very low | 244 Ų | 244 | 127.8 Ų | 127.8 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -157.2 | 168.2 | 171.1 | -146.8 | 177.3 | 179.9 | -83.5 | -1.3 | 114.5 | ||||
| 439 | C | 27.1 | Very low | 37.5 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | trans | -116.3 | 152.9 | -155.6 | -34.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 440 | T | 34.9 | Very low | 37 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | trans | 63.2 | 162.2 | 146.4 | 57.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 441 | P | 42.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | cis | -140.8 | -160.9 | 20.4 | 42.2 | -19.4 | 0 | 0 | 0 | 117.9 | ||||
| 442 | K | 31.7 | Very low | 35.9 | Very low | 199 Ų | 199 | 127 Ų | 127 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -80.7 | 151.9 | -168 | -65.8 | 173.9 | 170.6 | 177.1 | 0 | 117.5 | ||||
| 443 | S | 30.7 | Very low | 34.8 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 153.4 | 159.1 | 107.4 | 60.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 444 | S | 30.5 | Very low | 33.5 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 75.1 | 131.8 | 162.7 | 42.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 445 | E | 29.2 | Very low | 33.9 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -86.8 | -175.7 | 167.4 | -110.9 | -169.4 | 102.7 | 0 | 0 | 111.9 | ||||
| 446 | P | 45.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | cis | -137.8 | 166.6 | 9.8 | 38.4 | -18.9 | 0 | 0 | 0 | 118.5 | ||||
| 447 | A | 26.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 138.2 Ų | 138.2 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | 38.7 | 163.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 448 | P | 47.6 | Very low | 32 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | cis | -135.1 | 174.8 | -37.4 | 37.6 | -21.5 | 0 | 0 | 0 | 113.9 | ||||
| 449 | A | 26.5 | Very low | 31.8 | Very low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 151 | 116.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 450 | T | 26.6 | Very low | 32.2 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | 68.9 | 130.3 | 146 | 14.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 451 | L | 28.4 | Very low | 31.8 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | trans | 96 | 126.1 | 144.9 | -67.5 | -179.7 | 0 | 0 | 0 | 122.2 | ||||
| 452 | T | 26.4 | Very low | 31 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | 64.5 | 123.3 | 148.1 | 51 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 453 | G | 26.7 | Very low | 30.6 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 134.7 | 125.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 454 | V | 29.7 | Very low | 30.5 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 73.4 | 130.6 | 156.6 | -166.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 455 | P | 35.8 | Very low | 30.3 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 172.5 | 175.4 | 39.3 | -35.2 | 0 | 0 | 0 | 114.5 | ||||
| 456 | R | 28.3 | Very low | 30.2 | Very low | 238 Ų | 238 | 136.6 Ų | 136.6 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | 80.2 | 101.7 | 150.9 | -153.8 | 178.8 | -167.1 | -172.7 | 3.4 | 118.6 | ||||
| 457 | R | 39.2 | Very low | 29.3 | Very low | 235 Ų | 235 | 139.1 Ų | 139.1 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | -169.3 | 160.5 | 113.7 | -107.3 | 173.6 | 165.8 | 176.6 | -3 | 111.9 | |||||
| 458 | T | 27.6 | Very low | 29.3 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | 106.1 | 152 | 179.6 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 459 | A | 27.6 | Very low | 28.6 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | cis | 174.4 | 138.5 | -30.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 460 | K | 34.6 | Very low | 28.5 | Very low | 208 Ų | 208 | 142.2 Ų | 142.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | 36.9 | 122.3 | 152.1 | -59.6 | 176.5 | 178.5 | 177.7 | 0 | 118.8 | ||||
| 461 | K | 27.3 | Very low | 29 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | 154.4 | 153.9 | 98.5 | -166.1 | -177.4 | 175.6 | -174.7 | 0 | 112.5 | |||||
| 462 | A | 25.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 94.9 | 122 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 463 | E | 24.4 | Very low | 29.6 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -57.9 | 147.1 | 148.8 | -54.9 | 154.2 | 106.8 | 0 | 0 | 110.1 | ||||
| 464 | S | 27 | Very low | 30 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 173.5 | 116.2 | 119.5 | -77.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 465 | L | 27.6 | Very low | 30.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | 64.2 | 101.2 | 134.2 | -57.5 | 175 | 0 | 0 | 0 | 120.7 | ||||
| 466 | S | 27.5 | Very low | 30.1 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 99.3 | 138.9 | 111.2 | -64.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 467 | N | 25 | Very low | 29.9 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 78.2 | 140 | 158.5 | -54.7 | -22.3 | 0 | 0 | 0 | 116.3 | ||||
| 468 | S | 27.1 | Very low | 30.2 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -174.6 | 130.6 | -3.5 | 147.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 469 | S | 31.9 | Very low | 30.3 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 59.3 | 156.1 | 153 | -47.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 470 | H | 25.7 | Very low | 30.4 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 73% | 0.731 | 76% | 0.762 | S | S | * | * | cis | -160.4 | 133.1 | 12.9 | -160.4 | -108.1 | 0 | 0 | 0 | 109.3 | ||||
| 471 | S | 36.2 | Very low | 30.2 | Very low | 83 Ų | 83 | 132.9 Ų | 132.9 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | 58.9 | 155.6 | 143.5 | -66.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 472 | E | 31.9 | Very low | 31 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | cis | -160.8 | 145 | 7.6 | -128.9 | 162.2 | 128.9 | 0 | 0 | 114.3 | ||||
| 473 | S | 35.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 148.3 | 138.3 | 88.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 474 | I | 34 | Very low | 32.6 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | cis | -146.6 | 119.9 | 7 | -72.4 | -171.3 | 0 | 0 | 0 | 106.8 | ||||
| 475 | H | 35.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | 64.5 | 147.1 | 89.5 | -60.4 | -50.5 | 0 | 0 | 0 | 116.8 | |||||
| 476 | N | 32 | Very low | 33.2 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | cis | -170.9 | 161.1 | -8.3 | -102.3 | -12.5 | 0 | 0 | 0 | 110.4 | ||||
| 477 | S | 25.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -155.7 | 153.2 | 137.6 | -85.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 478 | P | 44.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -116.1 | 170.1 | -151.6 | 38.1 | -25.2 | 0 | 0 | 0 | 117 | ||||
| 479 | K | 31.3 | Very low | 34.2 | Very low | 203 Ų | 203 | 133 Ų | 133 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -97.5 | 162.9 | 178.4 | -56.5 | 167.8 | 175.6 | 175.9 | 0 | 112.1 | ||||
| 480 | S | 29.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -175 | 133 | 127 | 49.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 481 | C | 30.5 | Very low | 34.5 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -108.3 | 170.3 | 158.3 | -51.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 482 | P | 44.6 | Very low | 34.7 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -148.2 | 168.8 | 104.9 | 37.1 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 483 | T | 36.3 | Very low | 35 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -91.4 | 179.1 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 484 | P | 45.5 | Very low | 35.1 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -145.3 | 177.5 | 82.6 | 37 | -17.4 | 0 | 0 | 0 | 116.6 | |||||
| 485 | E | 32.9 | Very low | 35.1 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 163.1 | -173.5 | -48.6 | 126.1 | 132.3 | 0 | 0 | 114.7 | ||||
| 486 | V | 35.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 144 Ų | 144 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | -159.6 | 138.5 | 121.6 | -164.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 487 | D | 34.8 | Very low | 35.4 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -67.6 | 149.4 | 168.2 | -58.6 | -76.3 | 0 | 0 | 0 | 114.2 | ||||
| 488 | T | 35.8 | Very low | 35.8 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | -159.2 | 147.1 | 133.3 | -58.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 489 | A | 29.3 | Very low | 35.1 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -98 | 172 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 490 | S | 34.4 | Very low | 35 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | 92.6 | 153.7 | 147.9 | -151.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 491 | E | 30.4 | Very low | 35.1 | Very low | 167 Ų | 167 | 138 Ų | 138 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | 72.7 | 114.7 | 169.6 | -50.3 | -174 | 132.3 | 0 | 0 | 113.8 | ||||
| 492 | V | 39.3 | Very low | 34.9 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | 61 | 103.8 | 54.9 | -39.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 493 | E | 38.2 | Very low | 34.2 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -165.5 | 128.7 | 160 | -96.7 | 175.9 | 169.9 | 0 | 0 | 102.7 | ||||
| 494 | E | 37.5 | Very low | 34.3 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | 46.5 | 95.3 | 32.3 | -81.1 | -164.4 | -174.2 | 0 | 0 | 112.5 | ||||
| 495 | L | 35.2 | Very low | 33.4 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | -178.7 | 145.8 | 100.1 | -91 | 172.5 | 0 | 0 | 0 | 112.6 | |||||
| 496 | E | 43 | Very low | 33.2 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -70.4 | 141.5 | 159.2 | -57.3 | 169.3 | 136.1 | 0 | 0 | 109.4 | ||||
| 497 | A | 31.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -152.4 | 131.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 498 | D | 33.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -83.5 | 157.2 | -172.5 | -144.7 | -35.5 | 0 | 0 | 0 | 113 | ||||
| 499 | S | 30 | Very low | 33 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | trans | 71.9 | 114.2 | 140.4 | -77.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 500 | V | 27.8 | Very low | 33 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | 94.1 | 95.4 | 129.9 | -177.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 501 | S | 31.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | 51.6 | 121.8 | 123.3 | -50 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 502 | L | 26.3 | Very low | 33.3 | Very low | 177 Ų | 177 | 138 Ų | 138 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -137.9 | 110.8 | 134.6 | -76.2 | 180 | 0 | 0 | 0 | 111.2 | ||||
| 503 | L | 30.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 158.6 | 151.9 | -68.9 | 171.7 | 0 | 0 | 0 | 108.1 | ||||
| 504 | P | 39.8 | Very low | 33.9 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -150.6 | 123.9 | 92.3 | 34.9 | -15.7 | 0 | 0 | 0 | 115.7 | |||||
| 505 | A | 25.2 | Very low | 34.7 | Very low | 98 Ų | 98 | 130 Ų | 130 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -155 | 125.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 506 | A | 30.2 | Very low | 36.2 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -148.6 | 169.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 507 | P | 44.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | cis | -126 | 151.1 | -18 | 34.6 | -19.6 | 0 | 0 | 0 | 112.6 | ||||
| 508 | E | 27.9 | Very low | 40 | Very low | 203 Ų | 203 | 120.2 Ų | 120.2 | 95% | 0.949 | 72% | 0.718 | S | S | * | * | trans | -109.7 | 103.8 | 149.2 | -74.7 | -145.6 | 152.1 | 0 | 0 | 109.4 | S510 | E508-S510 PolarHBondContact O-N 3.33Š| ||
| 509 | G | 28.9 | Very low | 42.3 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 81% | 0.814 | 70% | 0.698 | S | S | * | * | trans | -82.4 | 104.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 510 | S | 28.1 | Very low | 45 | Very low | 111 Ų | 111 | 116.8 Ų | 116.8 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -100.8 | 91 | 152 | -159.8 | 0 | 0 | 0 | 0 | 108.8 | E508 G512 | E508-S510 PolarHBondContact O-N 3.33Å; S510-G512 PolarHBondContact O-N 3.01Å | ||
| 511 | R | 40 | Very low | 47.9 | Very low | 265 Ų | 265 | 111.2 Ų | 111.2 | 100% | 1 | 66% | 0.655 | S | S | * | * | trans | -75.2 | 71.9 | 165.6 | -149 | -177 | -167.7 | -136 | 4.1 | 108 | ||||
| 512 | G | 31.4 | Very low | 50.4 | Low | 35 Ų | 35 | 115 Ų | 115 | 36% | 0.361 | 65% | 0.653 | S | S | . | * | trans | -135.7 | 122.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107 | S510 | S510-G512 PolarHBondContact O-N 3.01Š| ||
| 513 | G | 41.6 | Very low | 53.1 | Low | 66 Ų | 66 | 114.2 Ų | 114.2 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | trans | -53.2 | 146.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R515 | G513-R515 VanDerWaalsContact O-CG 3.29Å; G513-R515 WeakPolarHBondContact O-CG 3.34Å; G513-R515 PolarHBondContact O-N 3.13Å | ||
| 514 | A | 47.8 | Very low | 55.8 | Low | 56 Ų | 56 | 110.5 Ų | 110.5 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | trans | -48.4 | 107.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | I516 H647 | A514-I516 PolarHBondContact O-N 3.23Å; A514-H647 WeakPolarHBondContact CB-O 3.12Å | ||
| 515 | R | 54.3 | Low | 57.9 | Low | 205 Ų | 205 | 108.4 Ų | 108.4 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | trans | -83.1 | 112.1 | -176.1 | -59.3 | -170.5 | -165.5 | -164.1 | 4.8 | 105.3 | G513 Q517 | G513-R515 VanDerWaalsContact O-CG 3.29Å; G513-R515 WeakPolarHBondContact O-CG 3.34Å; G513-R515 PolarHBondContact O-N 3.13Å; R515-Q517 WeakPolarHBondContact O-CG 3.29Å; R515-Q517 PolarHBondContact O-N 2.86Å | ||
| 516 | I | 67.1 | Low | 60.6 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 38% | 0.379 | 58% | 0.578 | S | S | . | * | trans | -46.8 | 115 | 168.4 | -47.7 | 168 | 0 | 0 | 0 | 107.4 | A514 Y548 Y550 | A514-I516 PolarHBondContact O-N 3.23Å; I516-Y548 HydrophobicContact CG2-CD1 3.55Å; I516-Y548 HydrophobicContact CG2-CG 3.99Å; I516-Y550 HydrophobicContact CB-CE2 4.28Å; I516-Y550 HydrophobicContact CD1-CE1 4.16Å; I516-Y550 HydrophobicContact CD1-CE2 4.18Å; I516-Y550 WeakPolarHBondContact CD1-OH 3.05Å; I516-Y550 HydrophobicContact CG1-CD1 4.42Å; I516-Y550 HydrophobicContact CG1-CE1 3.79Å; I516-Y550 HydrophobicContact CG1-CE2 3.89Å; I516-Y550 HydrophobicContact CG2-CD2 3.95Å; I516-Y550 HydrophobicContact CG2-CE2 3.49Å; I516-Y550 VanDerWaalsContact CG2-CE2 3.49Å | ||
| 517 | Q | 73.8 | Confident | 63.1 | Low | 96 Ų | 96 | 101.9 Ų | 101.9 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.5 | -178.7 | -65.7 | -172.5 | 61.6 | 0 | 0 | 107.9 | R515 F519 I549 | R515-Q517 WeakPolarHBondContact O-CG 3.29Å; R515-Q517 PolarHBondContact O-N 2.86Å; Q517-F519 HydrophobicContact CB-CD2 4.05Å; Q517-F519 HydrophobicContact CB-CE2 3.39Å; Q517-F519 HydrophobicContact CB-CZ 4.13Å; Q517-F519 HydrophobicContact CG-CE2 4.45Å; Q517-I549 PolarHBondContact N-O 3.07Å; Q517-I549 PolarHBondContact O-N 3.33Å |
| 518 | V | 80.9 | Confident | 64.6 | Low | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 115.8 | 177.9 | -165 | 0 | 0 | 0 | 0 | 108.4 | Y546 I547 Y548 | V518-Y546 HydrophobicContact CG1-CD1 3.78Å; V518-Y546 HydrophobicContact CG1-CG 4.18Å; V518-I547 WeakPolarHBondContact CA-O 3.47Å; V518-Y548 HydrophobicContact CG1-CD1 4.48Å; V518-Y548 HydrophobicContact CG1-CE1 4.21Å; V518-Y548 HydrophobicContact CG2-CD1 3.86Å; V518-Y548 HydrophobicContact CG2-CE1 3.69Å |
| 519 | F | 80.4 | Confident | 67 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.2 | 174.1 | -67.6 | -92.2 | 0 | 0 | 0 | 110.1 | Q517 Y546 I547 I549 | Q517-F519 HydrophobicContact CB-CD2 4.05Å; Q517-F519 HydrophobicContact CB-CE2 3.39Å; Q517-F519 HydrophobicContact CB-CZ 4.13Å; Q517-F519 HydrophobicContact CG-CE2 4.45Å; F519-Y546 CarbonylContact O-C 3.56Å; F519-Y546 VanDerWaalsContact O-CA 3.3Å; F519-Y546 WeakPolarHBondContact O-CA 3.27Å; F519-I547 HydrophobicContact CB-CD1 4.36Å; F519-I547 HydrophobicContact CB-CG1 3.87Å; F519-I547 PolarHBondContact N-O 2.74Å; F519-I547 PolarHBondContact O-N 3.4Å; F519-I549 HydrophobicContact CD2-CB 4.23Å; F519-I549 HydrophobicContact CD2-CD1 3.49Å; F519-I549 VanDerWaalsContact CD2-CD1 3.49Å; F519-I549 HydrophobicContact CD2-CG1 3.89Å; F519-I549 HydrophobicContact CE2-CB 4.16Å; F519-I549 HydrophobicContact CE2-CD1 3.74Å; F519-I549 HydrophobicContact CE2-CG1 4.23Å; F519-I549 HydrophobicContact CG-CD1 4.27Å |
| 520 | L | 86.8 | Confident | 68.6 | Low | 86 Ų | 86 | 98.7 Ų | 98.7 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.9 | 172.9 | -177.8 | 70.1 | 0 | 0 | 0 | 108.8 | R522 G544 Y546 | L520-R522 PolarHBondContact O-N 3.13Å; L520-R522 VanDerWaalsContact O-N 3.1Å; L520-G544 VanDerWaalsContact CD1-O 3.31Å; L520-G544 WeakPolarHBondContact CD1-O 3.37Å; L520-Y546 HydrophobicContact CB-CD1 4.36Å; L520-Y546 HydrophobicContact CB-CE1 4.26Å; L520-Y546 HydrophobicContact CD1-CD1 4.04Å; L520-Y546 HydrophobicContact CD1-CD2 4.46Å; L520-Y546 HydrophobicContact CD1-CE1 3.84Å; L520-Y546 HydrophobicContact CD1-CE2 4.25Å; L520-Y546 HydrophobicContact CD1-CG 4.37Å |
| 521 | A | 89.1 | Confident | 69.9 | Low | 7 Ų | 7 | 100.1 Ų | 100.1 | 6% | 0.058 | 51% | 0.506 | C | S | . | . | trans | -61.5 | 111 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109 | L541 T542 G544 E545 | A521-L541 HydrophobicContact CB-CB 4.23Å; A521-T542 VanDerWaalsContact CB-O 3.31Å; A521-T542 WeakPolarHBondContact CB-O 3.38Å; A521-G544 PolarHBondContact O-N 2.91Å; A521-E545 WeakPolarHBondContact CB-O 3.45Å; A521-E545 PolarHBondContact N-O 3.41Å | ||
| 522 | R | 83.8 | Confident | 71.1 | Confident | 184 Ų | 184 | 90.4 Ų | 90.4 | 69% | 0.694 | 47% | 0.474 | S | S | * | . | trans | -83.3 | -17.6 | -176.6 | -68.7 | -171 | 62 | -142.2 | -12 | 113.8 | L520 | L520-R522 PolarHBondContact O-N 3.13Å; L520-R522 VanDerWaalsContact O-N 3.1Å | ||
| 523 | Y | 83.1 | Confident | 72.7 | Confident | 159 Ų | 159 | 97.8 Ų | 97.8 | 62% | 0.624 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -143.2 | 149.9 | -176.7 | -57.3 | -75.7 | 0 | 0 | 0 | 107.3 | ||
| 524 | S | 87 | Confident | 73.8 | Confident | 79 Ų | 79 | 98.6 Ų | 98.6 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | trans | -74.1 | 144.1 | 168.4 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | L541 A543 | S524-L541 CarbonylContact C-O 3.53Å; S524-L541 WeakPolarHBondContact CA-O 2.98Å; S524-L541 WeakPolarHBondContact CB-O 3.45Å; S524-A543 PolarHBondContact OG-N 3.3Å | ||
| 525 | Y | 83.4 | Confident | 75 | Confident | 91 Ų | 91 | 97.1 Ų | 97.1 | 36% | 0.357 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 122.5 | 177.4 | -179.4 | -112.3 | 0 | 0 | 0 | 109 | P527 E538 P540 L541 | Y525-P527 HydrophobicContact CD1-CG 4.17Å; Y525-P527 HydrophobicContact CE1-CB 4.29Å; Y525-P527 HydrophobicContact CE1-CG 3.86Å; Y525-E538 PolarHBondContact OH-OE2 3.32Å; Y525-P540 WeakPolarHBondContact O-CA 3.27Å; Y525-L541 PolarHBondContact N-O 2.76Å; Y525-L541 PolarHBondContact O-N 3.01Å |
| 526 | N | 82.8 | Confident | 75.7 | Confident | 59 Ų | 59 | 93.7 Ų | 93.7 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | trans | -109.8 | 109 | 172.6 | -176.3 | 2.1 | 0 | 0 | 0 | 108.4 | F528 E529 | N526-F528 PolarHBondContact O-N 3.23Å; N526-F528 VanDerWaalsContact O-N 3.13Å; N526-F528 PolarHBondContact OD1-N 2.89Å; N526-E529 HydrophobicContact CB-CB 4.22Å; N526-E529 HydrophobicContact CB-CG 4.09Å; N526-E529 PolarHBondContact ND2-OE1 2.93Å; N526-E529 PolarHBondContact O-N 3.28Å | ||
| 527 | P | 81.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 93.5 Ų | 93.5 | 0% | 0 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -52.7 | -33.8 | 178.4 | -29.3 | 35.8 | 0 | 0 | 0 | 113.4 | Y525 E529 G530 P535 E538 P540 | Y525-P527 HydrophobicContact CD1-CG 4.17Å; Y525-P527 HydrophobicContact CE1-CB 4.29Å; Y525-P527 HydrophobicContact CE1-CG 3.86Å; P527-E529 VanDerWaalsContact C-N 3.27Å; P527-E529 PolarHBondContact O-N 3.47Å; P527-G530 PolarHBondContact O-N 3.38Å; P527-P535 HydrophobicContact CB-CB 3.88Å; P527-P535 VanDerWaalsContact CB-O 3.29Å; P527-P535 WeakPolarHBondContact CB-O 3Å; P527-E538 HydrophobicContact CB-CB 3.93Å; P527-E538 HydrophobicContact CG-CB 3.74Å; P527-P540 HydrophobicContact CG-CB 4.42Å |
| 528 | F | 76.6 | Confident | 75.9 | Confident | 143 Ų | 143 | 90.4 Ų | 90.4 | 63% | 0.627 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -77.5 | -4.4 | -178.6 | -57.8 | -78.7 | 0 | 0 | 0 | 114.5 | N526 P535 | N526-F528 PolarHBondContact O-N 3.23Å; N526-F528 VanDerWaalsContact O-N 3.13Å; N526-F528 PolarHBondContact OD1-N 2.89Å; F528-P535 HydrophobicContact CD1-CB 3.81Å; F528-P535 HydrophobicContact CD1-CG 3.81Å; F528-P535 HydrophobicContact CE1-CB 3.89Å; F528-P535 HydrophobicContact CE1-CG 3.82Å; F528-P535 HydrophobicContact CG-CB 4.36Å |
| 529 | E | 78 | Confident | 75.8 | Confident | 160 Ų | 160 | 92.3 Ų | 92.3 | 75% | 0.748 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -99.9 | -8.5 | 172.8 | -74.5 | 168.1 | -148.1 | 0 | 0 | 112.8 | N526 P527 | N526-E529 HydrophobicContact CB-CB 4.22Å; N526-E529 HydrophobicContact CB-CG 4.09Å; N526-E529 PolarHBondContact ND2-OE1 2.93Å; N526-E529 PolarHBondContact O-N 3.28Å; P527-E529 VanDerWaalsContact C-N 3.27Å; P527-E529 PolarHBondContact O-N 3.47Å |
| 530 | G | 62.6 | Low | 75.9 | Confident | 29 Ų | 29 | 91.9 Ų | 91.9 | 30% | 0.299 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -86.4 | 162.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P527 N532 | P527-G530 PolarHBondContact O-N 3.38Å; G530-N532 PolarHBondContact O-N 2.94Å |
| 531 | P | 55.3 | Low | 75.9 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 92% | 0.916 | 46% | 0.462 | S | S | * | . | trans | -77.6 | 29.9 | 172.8 | 37.2 | -38.3 | 0 | 0 | 0 | 112.2 | ||||
| 532 | N | 64.8 | Low | 75.8 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 33% | 0.326 | 48% | 0.481 | S | S | . | . | trans | -84.8 | 142.5 | -167.1 | -165.9 | 32 | 0 | 0 | 0 | 111.6 | G530 E538 | G530-N532 PolarHBondContact O-N 2.94Å; N532-E538 PolarHBondContact ND2-OE1 2.79Å; N532-E538 PolarHBondContact ND2-OE2 2.96Å; N532-E538 VanDerWaalsContact ND2-OE2 3.07Å | ||
| 533 | E | 65.1 | Low | 76 | Confident | 190 Ų | 190 | 86.7 Ų | 86.7 | 89% | 0.888 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -77.6 | -21.5 | -174.4 | -63.9 | -164.5 | 155.2 | 0 | 0 | 113.2 | ||
| 534 | N | 65.9 | Low | 75.9 | Confident | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.444 | 46% | 0.463 | S | S | . | . | trans | -140 | 59.2 | -174 | -142.7 | 102.7 | 0 | 0 | 0 | 113.3 | E536 A537 | N534-E536 PolarHBondContact ND2-OE1 2.67Å; N534-E536 PolarHBondContact O-N 3.36Å; N534-E536 VanDerWaalsContact O-N 3.08Å; N534-A537 WeakPolarHBondContact O-CB 3.36Å; N534-A537 PolarHBondContact O-N 2.99Å | ||
| 535 | P | 73.2 | Confident | 75.9 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 16% | 0.156 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -61.4 | -20.7 | -170.2 | 27.8 | -37.3 | 0 | 0 | 0 | 114.7 | P527 F528 A537 E538 | P527-P535 HydrophobicContact CB-CB 3.88Å; P527-P535 VanDerWaalsContact CB-O 3.29Å; P527-P535 WeakPolarHBondContact CB-O 3Å; F528-P535 HydrophobicContact CD1-CB 3.81Å; F528-P535 HydrophobicContact CD1-CG 3.81Å; F528-P535 HydrophobicContact CE1-CB 3.89Å; F528-P535 HydrophobicContact CE1-CG 3.82Å; F528-P535 HydrophobicContact CG-CB 4.36Å; P535-A537 PolarHBondContact O-N 2.8Å; P535-E538 PolarHBondContact O-N 2.76Å |
| 536 | E | 68.9 | Low | 76 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -73.2 | -10.8 | 174.3 | 69.7 | -82.5 | -170.6 | 0 | 0 | 114.7 | N534 | N534-E536 PolarHBondContact ND2-OE1 2.67Å; N534-E536 PolarHBondContact O-N 3.36Å; N534-E536 VanDerWaalsContact O-N 3.08Å |
| 537 | A | 65.9 | Low | 76.1 | Confident | 70 Ų | 70 | 84.1 Ų | 84.1 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -90.3 | -3.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N534 P535 | N534-A537 WeakPolarHBondContact O-CB 3.36Å; N534-A537 PolarHBondContact O-N 2.99Å; P535-A537 PolarHBondContact O-N 2.8Å |
| 538 | E | 78.8 | Confident | 76 | Confident | 30 Ų | 30 | 90.3 Ų | 90.3 | 14% | 0.14 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -110.4 | 143.9 | -176.3 | -70.2 | 177.9 | 166.9 | 0 | 0 | 112.4 | Y525 P527 N532 P535 P540 F558 | Y525-E538 PolarHBondContact OH-OE2 3.32Å; P527-E538 HydrophobicContact CB-CB 3.93Å; P527-E538 HydrophobicContact CG-CB 3.74Å; N532-E538 PolarHBondContact ND2-OE1 2.79Å; N532-E538 PolarHBondContact ND2-OE2 2.96Å; N532-E538 VanDerWaalsContact ND2-OE2 3.07Å; P535-E538 PolarHBondContact O-N 2.76Å; E538-P540 WeakPolarHBondContact O-CD 3.28Å; E538-F558 HydrophobicContact CG-CE1 4.23Å; E538-F558 WeakPolarHBondContact OE1-CE1 3.03Å; E538-F558 WeakPolarHBondContact OE1-CZ 3.34Å |
| 539 | L | 78.3 | Confident | 76.1 | Confident | 123 Ų | 123 | 84.2 Ų | 84.2 | 64% | 0.644 | 46% | 0.462 | S | S | * | . | trans | -81.7 | 120.4 | 177.9 | -172.5 | 71.2 | 0 | 0 | 0 | 110.5 | L541 I547 | L539-L541 HydrophobicContact CD2-CD2 4.05Å; L539-L541 HydrophobicContact CG-CD2 4.25Å; L539-I547 HydrophobicContact CD2-CG2 4.38Å | ||
| 540 | P | 83.4 | Confident | 75.7 | Confident | 77 Ų | 77 | 78.2 Ų | 78.2 | 50% | 0.5 | 43% | 0.432 | S | S | . | . | trans | -64.3 | 138.6 | 168.4 | 27.3 | -34.2 | 0 | 0 | 0 | 110.7 | Y525 P527 E538 | Y525-P540 WeakPolarHBondContact O-CA 3.27Å; P527-P540 HydrophobicContact CG-CB 4.42Å; E538-P540 WeakPolarHBondContact O-CD 3.28Å | ||
| 541 | L | 85.6 | Confident | 75.9 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -118.3 | 141 | -177.4 | -53.5 | -178.1 | 0 | 0 | 0 | 110.3 | A521 S524 Y525 L539 I547 | A521-L541 HydrophobicContact CB-CB 4.23Å; S524-L541 CarbonylContact C-O 3.53Å; S524-L541 WeakPolarHBondContact CA-O 2.98Å; S524-L541 WeakPolarHBondContact CB-O 3.45Å; Y525-L541 PolarHBondContact N-O 2.76Å; Y525-L541 PolarHBondContact O-N 3.01Å; L539-L541 HydrophobicContact CD2-CD2 4.05Å; L539-L541 HydrophobicContact CG-CD2 4.25Å; L541-I547 HydrophobicContact CD1-CD1 4.48Å; L541-I547 HydrophobicContact CD2-CD1 4.32Å; L541-I547 HydrophobicContact CD2-CG2 3.65Å |
| 542 | T | 86.8 | Confident | 76.3 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | trans | -107 | 136.8 | 165.4 | -38.3 | 0 | 0 | 0 | 0 | 110.3 | A521 G544 E545 | A521-T542 VanDerWaalsContact CB-O 3.31Å; A521-T542 WeakPolarHBondContact CB-O 3.38Å; T542-G544 PolarHBondContact O-N 3.24Å; T542-E545 WeakPolarHBondContact CA-OE2 3.39Å; T542-E545 VanDerWaalsContact CB-CD 3.45Å; T542-E545 WeakPolarHBondContact CB-OE2 3.21Å; T542-E545 PolarHBondContact N-OE2 3.1Å; T542-E545 WeakPolarHBondContact O-CB 3.43Å; T542-E545 PolarHBondContact O-N 2.81Å; T542-E545 PolarHBondContact OG1-OE2 3.13Å | ||
| 543 | A | 88.6 | Confident | 76.8 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 123.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | S524 | S524-A543 PolarHBondContact OG-N 3.3Š|
| 544 | G | 80.7 | Confident | 77 | Confident | 49 Ų | 49 | 73.3 Ų | 73.3 | 51% | 0.505 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -8.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L520 A521 T542 | L520-G544 VanDerWaalsContact CD1-O 3.31Å; L520-G544 WeakPolarHBondContact CD1-O 3.37Å; A521-G544 PolarHBondContact O-N 2.91Å; T542-G544 PolarHBondContact O-N 3.24Å |
| 545 | E | 88 | Confident | 77 | Confident | 95 Ų | 95 | 79 Ų | 79 | 44% | 0.444 | 42% | 0.421 | S | S | . | . | trans | -80.5 | 148.1 | 176.5 | -69.8 | -178.1 | 135.7 | 0 | 0 | 112.7 | A521 T542 | A521-E545 WeakPolarHBondContact CB-O 3.45Å; A521-E545 PolarHBondContact N-O 3.41Å; T542-E545 WeakPolarHBondContact CA-OE2 3.39Å; T542-E545 VanDerWaalsContact CB-CD 3.45Å; T542-E545 WeakPolarHBondContact CB-OE2 3.21Å; T542-E545 PolarHBondContact N-OE2 3.1Å; T542-E545 WeakPolarHBondContact O-CB 3.43Å; T542-E545 PolarHBondContact O-N 2.81Å; T542-E545 PolarHBondContact OG1-OE2 3.13Å | ||
| 546 | Y | 84.8 | Confident | 76.7 | Confident | 155 Ų | 155 | 84.7 Ų | 84.7 | 61% | 0.608 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.8 | 172.8 | -68.4 | -80.9 | 0 | 0 | 0 | 110 | V518 F519 L520 | V518-Y546 HydrophobicContact CG1-CD1 3.78Å; V518-Y546 HydrophobicContact CG1-CG 4.18Å; F519-Y546 CarbonylContact O-C 3.56Å; F519-Y546 VanDerWaalsContact O-CA 3.3Å; F519-Y546 WeakPolarHBondContact O-CA 3.27Å; L520-Y546 HydrophobicContact CB-CD1 4.36Å; L520-Y546 HydrophobicContact CB-CE1 4.26Å; L520-Y546 HydrophobicContact CD1-CD1 4.04Å; L520-Y546 HydrophobicContact CD1-CD2 4.46Å; L520-Y546 HydrophobicContact CD1-CE1 3.84Å; L520-Y546 HydrophobicContact CD1-CE2 4.25Å; L520-Y546 HydrophobicContact CD1-CG 4.37Å |
| 547 | I | 84.2 | Confident | 76.6 | Confident | 35 Ų | 35 | 79.9 Ų | 79.9 | 18% | 0.179 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 146.5 | 175.7 | 60 | 178.6 | 0 | 0 | 0 | 111.5 | V518 F519 L539 L541 I549 | V518-I547 WeakPolarHBondContact CA-O 3.47Å; F519-I547 HydrophobicContact CB-CD1 4.36Å; F519-I547 HydrophobicContact CB-CG1 3.87Å; F519-I547 PolarHBondContact N-O 2.74Å; F519-I547 PolarHBondContact O-N 3.4Å; L539-I547 HydrophobicContact CD2-CG2 4.38Å; L541-I547 HydrophobicContact CD1-CD1 4.48Å; L541-I547 HydrophobicContact CD2-CD1 4.32Å; L541-I547 HydrophobicContact CD2-CG2 3.65Å; I547-I549 HydrophobicContact CD1-CD1 4.39Å |
| 548 | Y | 80.1 | Confident | 76.9 | Confident | 131 Ų | 131 | 81.4 Ų | 81.4 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.2 | -179.4 | -64.4 | -73.3 | 0 | 0 | 0 | 109.6 | I516 V518 P562 | I516-Y548 HydrophobicContact CG2-CD1 3.55Å; I516-Y548 HydrophobicContact CG2-CG 3.99Å; V518-Y548 HydrophobicContact CG1-CD1 4.48Å; V518-Y548 HydrophobicContact CG1-CE1 4.21Å; V518-Y548 HydrophobicContact CG2-CD1 3.86Å; V518-Y548 HydrophobicContact CG2-CE1 3.69Å; Y548-P562 WeakPolarHBondContact O-CD 3.41Å |
| 549 | I | 79.9 | Confident | 76.7 | Confident | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.077 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.2 | 179.7 | -59.5 | -175.8 | 0 | 0 | 0 | 109.1 | Q517 F519 I547 G551 F559 | Q517-I549 PolarHBondContact N-O 3.07Å; Q517-I549 PolarHBondContact O-N 3.33Å; F519-I549 HydrophobicContact CD2-CB 4.23Å; F519-I549 HydrophobicContact CD2-CD1 3.49Å; F519-I549 VanDerWaalsContact CD2-CD1 3.49Å; F519-I549 HydrophobicContact CD2-CG1 3.89Å; F519-I549 HydrophobicContact CE2-CB 4.16Å; F519-I549 HydrophobicContact CE2-CD1 3.74Å; F519-I549 HydrophobicContact CE2-CG1 4.23Å; F519-I549 HydrophobicContact CG-CD1 4.27Å; I547-I549 HydrophobicContact CD1-CD1 4.39Å; I549-G551 WeakPolarHBondContact CG2-O 3.26Å; I549-F559 HydrophobicContact CD1-CB 3.87Å; I549-F559 HydrophobicContact CD1-CD1 4.07Å; I549-F559 HydrophobicContact CD1-CD2 4.32Å; I549-F559 HydrophobicContact CD1-CG 3.85Å; I549-F559 HydrophobicContact CG1-CB 4.42Å; I549-F559 HydrophobicContact CG2-CB 3.9Å; I549-F559 HydrophobicContact CG2-CD1 3.84Å; I549-F559 HydrophobicContact CG2-CG 4.24Å |
| 550 | Y | 68.4 | Low | 76.4 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 13% | 0.129 | 43% | 0.431 | C | S | . | . | trans | -107.6 | -31.6 | -175.5 | -82.9 | -113 | 0 | 0 | 0 | 112.8 | I516 E560 P562 H647 E649 | I516-Y550 HydrophobicContact CB-CE2 4.28Å; I516-Y550 HydrophobicContact CD1-CE1 4.16Å; I516-Y550 HydrophobicContact CD1-CE2 4.18Å; I516-Y550 WeakPolarHBondContact CD1-OH 3.05Å; I516-Y550 HydrophobicContact CG1-CD1 4.42Å; I516-Y550 HydrophobicContact CG1-CE1 3.79Å; I516-Y550 HydrophobicContact CG1-CE2 3.89Å; I516-Y550 HydrophobicContact CG2-CD2 3.95Å; I516-Y550 HydrophobicContact CG2-CE2 3.49Å; I516-Y550 VanDerWaalsContact CG2-CE2 3.49Å; Y550-E560 PolarHBondContact N-O 2.81Å; Y550-E560 VanDerWaalsContact N-O 3.16Å; Y550-P562 HydrophobicContact CD2-CB 3.8Å; Y550-P562 HydrophobicContact CD2-CG 4.37Å; Y550-P562 HydrophobicContact CE2-CB 3.53Å; Y550-P562 HydrophobicContact CE2-CG 4.16Å; Y550-H647 HydrophobicContact CD1-CB 4.49Å; Y550-E649 PolarHBondContact OH-O 3.36Å | ||
| 551 | G | 66.5 | Low | 75.9 | Confident | 9 Ų | 9 | 79.4 Ų | 79.4 | 9% | 0.093 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -94.9 | -177.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I549 E560 | I549-G551 WeakPolarHBondContact CG2-O 3.26Å; G551-E560 PolarHBondContact N-O 3.48Å |
| 552 | N | 65.3 | Low | 75.5 | Confident | 132 Ų | 132 | 79.1 Ų | 79.1 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | trans | -86.9 | 173.9 | 162.3 | -70.3 | -39.3 | 0 | 0 | 0 | 109.4 | ||||
| 553 | M | 73.7 | Confident | 75.3 | Confident | 112 Ų | 112 | 75.8 Ų | 75.8 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | B | Isolated β-bridge | trans | -67.2 | 133.3 | 167.9 | -159.6 | -179.2 | 77.5 | 0 | 0 | 109.4 | G557 F558 F559 | M553-G557 VanDerWaalsContact CG-C 3.45Å; M553-G557 WeakPolarHBondContact CG-O 3.43Å; M553-F558 CarbonylContact C-O 3.59Å; M553-F558 WeakPolarHBondContact CA-O 3.17Å; M553-F558 WeakPolarHBondContact CG-O 3.46Å; M553-F559 HydrophobicContact CB-CD1 4.09Å; M553-F559 HydrophobicContact CB-CE1 3.68Å; M553-F559 HydrophobicContact CB-CE2 4.47Å; M553-F559 HydrophobicContact CB-CZ 3.89Å; M553-F559 HydrophobicContact CG-CD2 4.44Å; M553-F559 HydrophobicContact CG-CE1 4.21Å; M553-F559 HydrophobicContact CG-CE2 4.1Å; M553-F559 HydrophobicContact CG-CZ 3.98Å; M553-F559 HydrophobicContact SD-CE2 4.27Å; M553-F559 HydrophobicContact SD-CZ 4.15Å |
| 554 | D | 70.9 | Confident | 75.2 | Confident | 65 Ų | 65 | 77 Ų | 77 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | trans | -78 | -173.4 | 177.8 | 64.6 | 21 | 0 | 0 | 0 | 112.8 | D556 G557 F558 | D554-D556 VanDerWaalsContact C-N 3.27Å; D554-D556 PolarHBondContact O-N 3.28Å; D554-D556 PolarHBondContact OD1-N 2.95Å; D554-G557 PolarHBondContact OD1-N 3.43Å; D554-F558 PolarHBondContact N-O 3.22Å; D554-F558 PolarHBondContact OD1-N 3.17Å; D554-F558 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 555 | E | 66.2 | Low | 75.5 | Confident | 202 Ų | 202 | 76 Ų | 76 | 94% | 0.944 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -69.7 | -23.9 | -178.8 | -60.1 | -164.9 | 166 | 0 | 0 | 113 | ||
| 556 | D | 66.5 | Low | 75.5 | Confident | 144 Ų | 144 | 71.5 Ų | 71.5 | 77% | 0.77 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -92.7 | -13.4 | -178.9 | -67.9 | -53.8 | 0 | 0 | 0 | 113.1 | D554 F558 | D554-D556 VanDerWaalsContact C-N 3.27Å; D554-D556 PolarHBondContact O-N 3.28Å; D554-D556 PolarHBondContact OD1-N 2.95Å; D556-F558 HydrophobicContact CB-CD2 4.08Å; D556-F558 HydrophobicContact CB-CE2 4.45Å |
| 557 | G | 66.9 | Low | 75.8 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 105.2 | 8.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | M553 D554 | M553-G557 VanDerWaalsContact CG-C 3.45Å; M553-G557 WeakPolarHBondContact CG-O 3.43Å; D554-G557 PolarHBondContact OD1-N 3.43Å |
| 558 | F | 71 | Confident | 75.9 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.443 | 37% | 0.374 | S | S | . | . | trans | -92.6 | 163.5 | 178.5 | -67 | -83.7 | 0 | 0 | 0 | 111.8 | E538 M553 D554 D556 | E538-F558 HydrophobicContact CG-CE1 4.23Å; E538-F558 WeakPolarHBondContact OE1-CE1 3.03Å; E538-F558 WeakPolarHBondContact OE1-CZ 3.34Å; M553-F558 CarbonylContact C-O 3.59Å; M553-F558 WeakPolarHBondContact CA-O 3.17Å; M553-F558 WeakPolarHBondContact CG-O 3.46Å; D554-F558 PolarHBondContact N-O 3.22Å; D554-F558 PolarHBondContact OD1-N 3.17Å; D554-F558 WeakPolarHBondContact OD2-CB 3.38Å; D556-F558 HydrophobicContact CB-CD2 4.08Å; D556-F558 HydrophobicContact CB-CE2 4.45Å | ||
| 559 | F | 74.8 | Confident | 76.4 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 47% | 0.469 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -119.2 | 125.8 | -179.1 | -73.3 | -84.2 | 0 | 0 | 0 | 110.4 | I549 M553 G561 | I549-F559 HydrophobicContact CD1-CB 3.87Å; I549-F559 HydrophobicContact CD1-CD1 4.07Å; I549-F559 HydrophobicContact CD1-CD2 4.32Å; I549-F559 HydrophobicContact CD1-CG 3.85Å; I549-F559 HydrophobicContact CG1-CB 4.42Å; I549-F559 HydrophobicContact CG2-CB 3.9Å; I549-F559 HydrophobicContact CG2-CD1 3.84Å; I549-F559 HydrophobicContact CG2-CG 4.24Å; M553-F559 HydrophobicContact CB-CD1 4.09Å; M553-F559 HydrophobicContact CB-CE1 3.68Å; M553-F559 HydrophobicContact CB-CE2 4.47Å; M553-F559 HydrophobicContact CB-CZ 3.89Å; M553-F559 HydrophobicContact CG-CD2 4.44Å; M553-F559 HydrophobicContact CG-CE1 4.21Å; M553-F559 HydrophobicContact CG-CE2 4.1Å; M553-F559 HydrophobicContact CG-CZ 3.98Å; M553-F559 HydrophobicContact SD-CE2 4.27Å; M553-F559 HydrophobicContact SD-CZ 4.15Å; F559-G561 PolarHBondContact O-N 3Å |
| 560 | E | 72.4 | Confident | 76.8 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | trans | -64.7 | 124.4 | 175.1 | -60.3 | 171.4 | 177.9 | 0 | 0 | 111.4 | Y550 G551 V598 | Y550-E560 PolarHBondContact N-O 2.81Å; Y550-E560 VanDerWaalsContact N-O 3.16Å; G551-E560 PolarHBondContact N-O 3.48Å; E560-V598 HydrophobicContact CB-CG2 4.03Å | ||
| 561 | G | 72.1 | Confident | 77.7 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | trans | -77.9 | 179.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F559 V598 | F559-G561 PolarHBondContact O-N 3Å; G561-V598 WeakPolarHBondContact O-CG2 3.46Å | ||
| 562 | P | 76.9 | Confident | 78.7 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 152.3 | 164.5 | 24.8 | -32.1 | 0 | 0 | 0 | 111 | Y548 Y550 N596 | Y548-P562 WeakPolarHBondContact O-CD 3.41Å; Y550-P562 HydrophobicContact CD2-CB 3.8Å; Y550-P562 HydrophobicContact CD2-CG 4.37Å; Y550-P562 HydrophobicContact CE2-CB 3.53Å; Y550-P562 HydrophobicContact CE2-CG 4.16Å; P562-N596 WeakPolarHBondContact O-CB 3.23Å; P562-N596 PolarHBondContact O-ND2 3.37Å |
| 563 | P | 83.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 72.3 Ų | 72.3 | 1% | 0.013 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 152.7 | 164.9 | 29.9 | -35.8 | 0 | 0 | 0 | 110 | T643 S650 | P563-T643 HydrophobicContact CB-CG2 4Å; P563-T643 HydrophobicContact CG-CG2 4.4Å; P563-S650 WeakPolarHBondContact O-CB 3.31Å |
| 564 | D | 85.5 | Confident | 79.9 | Confident | 78 Ų | 78 | 67.8 Ų | 67.8 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -62 | 153.8 | -177.3 | -60.8 | -60.5 | 0 | 0 | 0 | 111.8 | V587 S595 T643 S650 | D564-V587 HydrophobicContact CB-CB 4.31Å; D564-V587 HydrophobicContact CB-CG1 3.77Å; D564-V587 WeakPolarHBondContact O-CG1 3.49Å; D564-S595 WeakPolarHBondContact CB-OG 3.39Å; D564-S595 VanDerWaalsContact CG-OG 3.32Å; D564-S595 PolarHBondContact N-OG 3.16Å; D564-S595 PolarHBondContact OD2-OG 2.86Å; D564-T643 WeakPolarHBondContact O-CB 3.19Å; D564-T643 PolarHBondContact O-OG1 3Å; D564-S650 WeakPolarHBondContact O-CB 3.34Å |
| 565 | A | 88.3 | Confident | 80.3 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 141.5 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | A651 | A565-A651 WeakPolarHBondContact CB-O 3.39Š|
| 566 | P | 88.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.013 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 147 | 176.5 | 30.1 | -33 | 0 | 0 | 0 | 110.7 | F584 Y603 V641 T643 S653 | P566-F584 HydrophobicContact CB-CD2 3.87Å; P566-Y603 HydrophobicContact CB-CD1 4.21Å; P566-Y603 HydrophobicContact CB-CE1 4.07Å; P566-Y603 HydrophobicContact CG-CD1 4.2Å; P566-Y603 HydrophobicContact CG-CE1 4.49Å; P566-V641 WeakPolarHBondContact CD-O 3.44Å; P566-V641 HydrophobicContact CG-CB 3.75Å; P566-V641 HydrophobicContact CG-CG1 3.75Å; P566-V641 WeakPolarHBondContact CG-O 3.33Å; P566-T643 WeakPolarHBondContact CD-OG1 3.35Å; P566-S653 VanDerWaalsContact O-CB 3.27Å; P566-S653 WeakPolarHBondContact O-CB 3.5Å |
| 567 | L | 89.5 | Confident | 81.3 | Confident | 106 Ų | 106 | 61.3 Ų | 61.3 | 56% | 0.555 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 167.1 | -172.1 | -58.6 | -179.8 | 0 | 0 | 0 | 112.2 | V569 L585 | L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.25Å; L567-L585 HydrophobicContact CB-CB 4.28Å; L567-L585 HydrophobicContact CB-CD1 4.46Å; L567-L585 PolarHBondContact N-O 3.43Å; L567-L585 PolarHBondContact O-N 3.19Å |
| 568 | D | 86.7 | Confident | 81.7 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 46.1 | 47.9 | 175 | -66 | -6.4 | 0 | 0 | 0 | 115 | Q570 L585 | D568-Q570 PolarHBondContact O-N 2.77Å; D568-Q570 PolarHBondContact O-NE2 3.35Å; D568-L585 HydrophobicContact CB-CD1 3.93Å; D568-L585 HydrophobicContact CB-CG 4.08Å; D568-L585 WeakPolarHBondContact OD2-CD1 3.21Å |
| 569 | V | 90.5 | Very high | 82.2 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 12% | 0.121 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 119.7 | 173.3 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | L567 I582 S583 F584 V641 S653 A656 | L567-V569 VanDerWaalsContact C-N 3.33Å; L567-V569 PolarHBondContact O-N 3.25Å; V569-I582 HydrophobicContact CG1-CG2 3.91Å; V569-S583 CarbonylContact C-O 3.58Å; V569-S583 WeakPolarHBondContact CA-O 3.3Å; V569-F584 HydrophobicContact CG2-CB 3.94Å; V569-V641 HydrophobicContact CG1-CG2 3.82Å; V569-V641 HydrophobicContact CG2-CB 4.14Å; V569-V641 HydrophobicContact CG2-CG2 3.9Å; V569-S653 WeakPolarHBondContact CG2-OG 3.46Å; V569-A656 HydrophobicContact CB-CB 4.05Å; V569-A656 HydrophobicContact CG1-CB 3.69Å; V569-A656 WeakPolarHBondContact O-CB 3.21Å |
| 570 | Q | 88.1 | Confident | 82.8 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.9 | -177.9 | -70.9 | 169.3 | 56.9 | 0 | 0 | 109.8 | D568 I582 S583 | D568-Q570 PolarHBondContact O-N 2.77Å; D568-Q570 PolarHBondContact O-NE2 3.35Å; Q570-I582 WeakPolarHBondContact O-CA 3.44Å; Q570-S583 PolarHBondContact N-O 2.78Å; Q570-S583 PolarHBondContact O-N 3.2Å |
| 571 | I | 88.9 | Confident | 83.6 | Confident | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 110.3 | -175.7 | -52.1 | 179.3 | 0 | 0 | 0 | 109.2 | L580 I581 V639 A656 I658 L662 | I571-L580 HydrophobicContact CG2-CB 4.28Å; I571-L580 HydrophobicContact CG2-CD1 3.79Å; I571-L580 HydrophobicContact CG2-CD2 4.27Å; I571-L580 HydrophobicContact CG2-CG 4.34Å; I571-I581 WeakPolarHBondContact CA-O 3.21Å; I571-V639 HydrophobicContact CD1-CB 3.91Å; I571-V639 HydrophobicContact CD1-CG2 3.75Å; I571-A656 HydrophobicContact CD1-CB 3.9Å; I571-A656 WeakPolarHBondContact CD1-O 3.34Å; I571-A656 HydrophobicContact CG1-CB 3.93Å; I571-I658 HydrophobicContact CD1-CG1 3.81Å; I571-L662 HydrophobicContact CB-CD1 4.39Å; I571-L662 HydrophobicContact CG2-CD1 3.81Å |
| 572 | E | 87 | Confident | 84.5 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 48% | 0.477 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 155.7 | -176.6 | -73 | -61.7 | 144.8 | 0 | 0 | 112.1 | G574 L580 I581 | E572-G574 PolarHBondContact O-N 2.67Å; E572-L580 WeakPolarHBondContact O-CA 3.3Å; E572-I581 HydrophobicContact CB-CB 4.38Å; E572-I581 PolarHBondContact N-O 3.31Å; E572-I581 PolarHBondContact O-N 2.86Å |
| 573 | P | 82.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 129.2 | 171.3 | -19.3 | 30.9 | 0 | 0 | 0 | 111.7 | L662 | P573-L662 HydrophobicContact CG-CD2 3.69Å |
| 574 | G | 81.1 | Confident | 85.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | trans | -70.1 | 169.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E572 S576 I579 | E572-G574 PolarHBondContact O-N 2.67Å; G574-S576 PolarHBondContact O-N 2.84Å; G574-I579 VanDerWaalsContact CA-O 3.26Å; G574-I579 WeakPolarHBondContact CA-O 3.31Å; G574-I579 PolarHBondContact N-O 3.06Å | ||
| 575 | P | 80.2 | Confident | 86 | Confident | 100 Ų | 100 | 52.7 Ų | 52.7 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -67.9 | 1 | -179.9 | 30.1 | -37.2 | 0 | 0 | 0 | 114 | ||
| 576 | S | 78.4 | Confident | 86.1 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 43% | 0.434 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -148 | 146.5 | 176.3 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | G574 G578 I579 | G574-S576 PolarHBondContact O-N 2.84Å; S576-G578 PolarHBondContact O-N 3.01Å; S576-I579 PolarHBondContact O-N 3.05Å; S576-I579 VanDerWaalsContact O-N 3.13Å |
| 577 | P | 74.8 | Confident | 86 | Confident | 114 Ų | 114 | 54.5 Ų | 54.5 | 74% | 0.74 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 132.3 | 173.4 | -21.7 | 32.7 | 0 | 0 | 0 | 110.3 | A665 | P577-A665 HydrophobicContact CB-CB 4.37Š|
| 578 | G | 74 | Confident | 85.8 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 6.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S576 E626 L627 | S576-G578 PolarHBondContact O-N 3.01Å; G578-E626 CarbonylContact O-C 3.43Å; G578-E626 WeakPolarHBondContact O-CA 3.28Å; G578-E626 WeakPolarHBondContact O-CG 3.39Å; G578-L627 WeakPolarHBondContact O-CB 3.42Å; G578-L627 PolarHBondContact O-N 3.36Å |
| 579 | I | 82.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.4 | 174.1 | -55.9 | -179.3 | 0 | 0 | 0 | 109.2 | G574 S576 L624 | G574-I579 VanDerWaalsContact CA-O 3.26Å; G574-I579 WeakPolarHBondContact CA-O 3.31Å; G574-I579 PolarHBondContact N-O 3.06Å; S576-I579 PolarHBondContact O-N 3.05Å; S576-I579 VanDerWaalsContact O-N 3.13Å; I579-L624 HydrophobicContact CG2-CB 4.05Å; I579-L624 HydrophobicContact CG2-CD2 4.17Å |
| 580 | L | 86.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.4 | 168 | -65.7 | 175.8 | 0 | 0 | 0 | 110.1 | I571 E572 L624 V625 L627 L630 L662 | I571-L580 HydrophobicContact CG2-CB 4.28Å; I571-L580 HydrophobicContact CG2-CD1 3.79Å; I571-L580 HydrophobicContact CG2-CD2 4.27Å; I571-L580 HydrophobicContact CG2-CG 4.34Å; E572-L580 WeakPolarHBondContact O-CA 3.3Å; L580-L624 WeakPolarHBondContact O-CA 3.36Å; L580-V625 PolarHBondContact N-O 2.94Å; L580-V625 PolarHBondContact O-N 2.92Å; L580-L627 HydrophobicContact CD1-CD2 3.76Å; L580-L627 HydrophobicContact CD1-CG 4.27Å; L580-L627 HydrophobicContact CG-CD1 4.46Å; L580-L627 HydrophobicContact CG-CD2 4.07Å; L580-L627 HydrophobicContact CG-CG 4.03Å; L580-L630 HydrophobicContact CD1-CD1 3.81Å; L580-L662 HydrophobicContact CD2-CB 4.32Å; L580-L662 HydrophobicContact CD2-CD1 4.19Å; L580-L662 HydrophobicContact CD2-CD2 4.49Å |
| 581 | I | 90.1 | Very high | 84.8 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 26% | 0.256 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.1 | 165.2 | -39.8 | -168 | 0 | 0 | 0 | 106.9 | I571 E572 L624 | I571-I581 WeakPolarHBondContact CA-O 3.21Å; E572-I581 HydrophobicContact CB-CB 4.38Å; E572-I581 PolarHBondContact N-O 3.31Å; E572-I581 PolarHBondContact O-N 2.86Å; I581-L624 HydrophobicContact CB-CD2 4.26Å; I581-L624 HydrophobicContact CD1-CD2 4.24Å; I581-L624 HydrophobicContact CG1-CD2 3.71Å; I581-L624 HydrophobicContact CG2-CD2 4.24Å |
| 582 | I | 91.8 | Very high | 84.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.5 | 169.4 | -57.9 | 165.4 | 0 | 0 | 0 | 105.6 | V569 Q570 F584 I605 S622 V623 V625 V639 V641 | V569-I582 HydrophobicContact CG1-CG2 3.91Å; Q570-I582 WeakPolarHBondContact O-CA 3.44Å; I582-F584 HydrophobicContact CG2-CD1 4.46Å; I582-I605 HydrophobicContact CD1-CG2 3.73Å; I582-S622 CarbonylContact O-C 3.57Å; I582-S622 WeakPolarHBondContact O-CA 3.31Å; I582-V623 HydrophobicContact CB-CG1 4.49Å; I582-V623 PolarHBondContact N-O 3.28Å; I582-V623 PolarHBondContact O-N 3.34Å; I582-V625 HydrophobicContact CD1-CB 4.03Å; I582-V625 HydrophobicContact CD1-CG2 3.53Å; I582-V639 HydrophobicContact CD1-CG1 4.06Å; I582-V641 HydrophobicContact CG2-CG2 4.1Å |
| 583 | S | 91.7 | Very high | 83.9 | Confident | 33 Ų | 33 | 55 Ų | 55 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145.1 | 175.6 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | V569 Q570 G621 | V569-S583 CarbonylContact C-O 3.58Å; V569-S583 WeakPolarHBondContact CA-O 3.3Å; Q570-S583 PolarHBondContact N-O 2.78Å; Q570-S583 PolarHBondContact O-N 3.2Å; S583-G621 WeakPolarHBondContact CA-O 3.44Å |
| 584 | F | 94 | Very high | 83.8 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153.5 | 179.9 | 53.4 | -90.5 | 0 | 0 | 0 | 109 | P566 V569 I582 P586 Y603 A620 G621 V641 | P566-F584 HydrophobicContact CB-CD2 3.87Å; V569-F584 HydrophobicContact CG2-CB 3.94Å; I582-F584 HydrophobicContact CG2-CD1 4.46Å; F584-P586 WeakPolarHBondContact O-CD 3.29Å; F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CE2-CD1 3.63Å; F584-Y603 HydrophobicContact CE2-CD1 3.63Å; F584-Y603 AromaticContact CE2-CD2 3.6Å; F584-Y603 HydrophobicContact CE2-CD2 3.6Å; F584-Y603 AromaticContact CE2-CE1 3.95Å; F584-Y603 HydrophobicContact CE2-CE1 3.95Å; F584-Y603 AromaticContact CE2-CE2 3.91Å; F584-Y603 HydrophobicContact CE2-CE2 3.91Å; F584-Y603 AromaticContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CE2-CG 3.46Å; F584-Y603 VanDerWaalsContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CZ-CD1 4.27Å; F584-Y603 AromaticContact CZ-CD2 3.81Å; F584-Y603 HydrophobicContact CZ-CD2 3.81Å; F584-Y603 AromaticContact CZ-CG 3.69Å; F584-Y603 HydrophobicContact CZ-CG 3.69Å; F584-A620 WeakPolarHBondContact CE2-O 3.26Å; F584-A620 VanDerWaalsContact CZ-O 3.28Å; F584-A620 WeakPolarHBondContact CZ-O 3.23Å; F584-G621 PolarHBondContact N-O 3.32Å; F584-G621 CarbonylContact O-C 3.58Å; F584-G621 WeakPolarHBondContact O-CA 3.4Å; F584-V641 HydrophobicContact CD1-CG1 4.23Å; F584-V641 HydrophobicContact CD1-CG2 4.19Å; F584-V641 HydrophobicContact CD2-CG1 4.48Å; F584-V641 HydrophobicContact CE1-CG1 4.14Å; F584-V641 HydrophobicContact CE2-CG1 4.38Å; F584-V641 HydrophobicContact CG-CG1 4.4Å; F584-V641 HydrophobicContact CZ-CG1 4.22Å |
| 585 | L | 91.8 | Very high | 83.9 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 48% | 0.482 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 120.3 | 172 | -67.2 | 174.6 | 0 | 0 | 0 | 108.7 | L567 D568 | L567-L585 HydrophobicContact CB-CB 4.28Å; L567-L585 HydrophobicContact CB-CD1 4.46Å; L567-L585 PolarHBondContact N-O 3.43Å; L567-L585 PolarHBondContact O-N 3.19Å; D568-L585 HydrophobicContact CB-CD1 3.93Å; D568-L585 HydrophobicContact CB-CG 4.08Å; D568-L585 WeakPolarHBondContact OD2-CD1 3.21Å |
| 586 | P | 89.6 | Confident | 83.7 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 34% | 0.344 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 149.6 | 170.7 | -21.6 | 33.5 | 0 | 0 | 0 | 110.4 | F584 Y603 | F584-P586 WeakPolarHBondContact O-CD 3.29Å; P586-Y603 WeakPolarHBondContact CA-OH 3.45Å; P586-Y603 WeakPolarHBondContact CB-OH 3.24Å |
| 587 | V | 86.9 | Confident | 83.4 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -66 | 148.3 | 173 | -63 | 0 | 0 | 0 | 0 | 110.6 | D564 I589 V600 Y603 T643 | D564-V587 HydrophobicContact CB-CB 4.31Å; D564-V587 HydrophobicContact CB-CG1 3.77Å; D564-V587 WeakPolarHBondContact O-CG1 3.49Å; V587-I589 HydrophobicContact CG2-CG2 4.17Å; V587-I589 PolarHBondContact O-N 2.99Å; V587-V600 HydrophobicContact CG2-CG1 4.49Å; V587-V600 HydrophobicContact CG2-CG2 3.82Å; V587-Y603 PolarHBondContact N-OH 3.45Å; V587-Y603 VanDerWaalsContact N-OH 3.13Å; V587-T643 HydrophobicContact CG1-CG2 4.48Å; V587-T643 WeakPolarHBondContact CG1-OG1 3.47Å; V587-T643 HydrophobicContact CG2-CG2 3.87Å |
| 588 | T | 84.6 | Confident | 83.5 | Confident | 130 Ų | 130 | 44.1 Ų | 44.1 | 80% | 0.798 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 120.3 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 589 | I | 84.5 | Confident | 84 | Confident | 56 Ų | 56 | 49.3 Ų | 49.3 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | trans | -109.1 | 141.9 | 175.2 | 59.8 | 177.5 | 0 | 0 | 0 | 111.2 | V587 T594 V600 P618 T619 | V587-I589 HydrophobicContact CG2-CG2 4.17Å; V587-I589 PolarHBondContact O-N 2.99Å; I589-T594 CarbonylContact C-O 3.54Å; I589-T594 VanDerWaalsContact CA-O 3.23Å; I589-T594 WeakPolarHBondContact CA-O 3.41Å; I589-V600 HydrophobicContact CG2-CB 4.08Å; I589-V600 HydrophobicContact CG2-CG2 3.71Å; I589-P618 HydrophobicContact CD1-CB 4.29Å; I589-T619 HydrophobicContact CD1-CG2 4.13Å | ||
| 590 | D | 82.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 47.3 Ų | 47.3 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | trans | -71.4 | -178.6 | 174.2 | 71 | 10.5 | 0 | 0 | 0 | 112.7 | A592 G593 T594 | D590-A592 PolarHBondContact O-N 3.44Å; D590-A592 VanDerWaalsContact OD1-C 3.22Å; D590-A592 VanDerWaalsContact OD1-CA 3.23Å; D590-A592 WeakPolarHBondContact OD1-CA 3.44Å; D590-A592 WeakPolarHBondContact OD1-CB 3.32Å; D590-A592 PolarHBondContact OD1-N 3.3Å; D590-G593 PolarHBondContact O-N 3.34Å; D590-G593 VanDerWaalsContact O-N 3.1Å; D590-G593 PolarHBondContact OD1-N 2.98Å; D590-T594 VanDerWaalsContact CG-OG1 3.26Å; D590-T594 PolarHBondContact N-O 2.87Å; D590-T594 PolarHBondContact OD1-N 3.08Å; D590-T594 PolarHBondContact OD2-OG1 3.02Å | ||
| 591 | A | 76.9 | Confident | 84.5 | Confident | 121 Ų | 121 | 49.7 Ų | 49.7 | 100% | 1 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -15 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 592 | A | 75.3 | Confident | 84.6 | Confident | 55 Ų | 55 | 47.3 Ų | 47.3 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D590 T594 R599 | D590-A592 PolarHBondContact O-N 3.44Å; D590-A592 VanDerWaalsContact OD1-C 3.22Å; D590-A592 VanDerWaalsContact OD1-CA 3.23Å; D590-A592 WeakPolarHBondContact OD1-CA 3.44Å; D590-A592 WeakPolarHBondContact OD1-CB 3.32Å; D590-A592 PolarHBondContact OD1-N 3.3Å; A592-T594 HydrophobicContact CB-CG2 4.19Å; A592-R599 PolarHBondContact O-NH1 2.68Å |
| 593 | G | 82.4 | Confident | 84.7 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 82.1 | 30.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D590 V600 | D590-G593 PolarHBondContact O-N 3.34Å; D590-G593 VanDerWaalsContact O-N 3.1Å; D590-G593 PolarHBondContact OD1-N 2.98Å; G593-V600 PolarHBondContact O-N 2.94Å |
| 594 | T | 81.6 | Confident | 84.8 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 147.4 | 179.8 | 91 | 0 | 0 | 0 | 0 | 112.7 | I589 D590 A592 V598 | I589-T594 CarbonylContact C-O 3.54Å; I589-T594 VanDerWaalsContact CA-O 3.23Å; I589-T594 WeakPolarHBondContact CA-O 3.41Å; D590-T594 VanDerWaalsContact CG-OG1 3.26Å; D590-T594 PolarHBondContact N-O 2.87Å; D590-T594 PolarHBondContact OD1-N 3.08Å; D590-T594 PolarHBondContact OD2-OG1 3.02Å; A592-T594 HydrophobicContact CB-CG2 4.19Å; T594-V598 CarbonylContact C-O 3.57Å; T594-V598 VanDerWaalsContact CA-O 3.25Å; T594-V598 WeakPolarHBondContact CA-O 3.23Å; T594-V598 WeakPolarHBondContact CB-O 3.37Å |
| 595 | S | 82.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.9 | 166.1 | 142.4 | 0 | 0 | 0 | 0 | 106.6 | D564 G597 V598 | D564-S595 WeakPolarHBondContact CB-OG 3.39Å; D564-S595 VanDerWaalsContact CG-OG 3.32Å; D564-S595 PolarHBondContact N-OG 3.16Å; D564-S595 PolarHBondContact OD2-OG 2.86Å; S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 2.95Å; S595-V598 PolarHBondContact N-O 2.99Å; S595-V598 PolarHBondContact O-N 3.31Å; S595-V598 VanDerWaalsContact O-O 3.13Å |
| 596 | N | 75.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 40% | 0.396 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.3 | -173.5 | -160.6 | 21.2 | 0 | 0 | 0 | 113.7 | P562 V598 | P562-N596 WeakPolarHBondContact O-CB 3.23Å; P562-N596 PolarHBondContact O-ND2 3.37Å; N596-V598 PolarHBondContact O-N 3.42Å; N596-V598 VanDerWaalsContact O-N 3.13Å |
| 597 | G | 72 | Confident | 84.4 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -18.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | S595 | S595-G597 VanDerWaalsContact C-N 3.25Å; S595-G597 PolarHBondContact O-N 2.95Å |
| 598 | V | 77.3 | Confident | 84.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.2 | -173.6 | 179.9 | 0 | 0 | 0 | 0 | 112 | E560 G561 T594 S595 N596 V600 | E560-V598 HydrophobicContact CB-CG2 4.03Å; G561-V598 WeakPolarHBondContact O-CG2 3.46Å; T594-V598 CarbonylContact C-O 3.57Å; T594-V598 VanDerWaalsContact CA-O 3.25Å; T594-V598 WeakPolarHBondContact CA-O 3.23Å; T594-V598 WeakPolarHBondContact CB-O 3.37Å; S595-V598 PolarHBondContact N-O 2.99Å; S595-V598 PolarHBondContact O-N 3.31Å; S595-V598 VanDerWaalsContact O-O 3.13Å; N596-V598 PolarHBondContact O-N 3.42Å; N596-V598 VanDerWaalsContact O-N 3.13Å; V598-V600 PolarHBondContact O-N 3.49Å |
| 599 | R | 84.4 | Confident | 83.8 | Confident | 129 Ų | 129 | 40 Ų | 40 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 121.3 | 177.4 | 179.4 | 173.2 | -56.1 | -63.3 | -9.2 | 112 | A592 S645 P646 | A592-R599 PolarHBondContact O-NH1 2.68Å; R599-S645 WeakPolarHBondContact O-CA 3.42Å; R599-S645 WeakPolarHBondContact O-CB 3.44Å; R599-P646 WeakPolarHBondContact O-CD 3.35Å |
| 600 | V | 89.6 | Confident | 83.7 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 131.9 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | V587 I589 G593 V598 P618 T643 M644 | V587-V600 HydrophobicContact CG2-CG1 4.49Å; V587-V600 HydrophobicContact CG2-CG2 3.82Å; I589-V600 HydrophobicContact CG2-CB 4.08Å; I589-V600 HydrophobicContact CG2-CG2 3.71Å; G593-V600 PolarHBondContact O-N 2.94Å; V598-V600 PolarHBondContact O-N 3.49Å; V600-P618 HydrophobicContact CB-CB 4.18Å; V600-P618 HydrophobicContact CG1-CB 3.82Å; V600-P618 HydrophobicContact CG1-CG 4.46Å; V600-P618 VanDerWaalsContact O-CG 3.29Å; V600-P618 WeakPolarHBondContact O-CG 3.35Å; V600-T643 HydrophobicContact CB-CG2 4.31Å; V600-T643 HydrophobicContact CG1-CG2 3.6Å; V600-T643 HydrophobicContact CG2-CG2 3.84Å; V600-M644 WeakPolarHBondContact CA-O 3.45Å |
| 601 | T | 90.4 | Very high | 84 | Confident | 54 Ų | 54 | 43 Ų | 43 | 33% | 0.331 | 27% | 0.267 | S | S | . | . | trans | -111.1 | -17.4 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | A616 S617 M644 P646 | T601-A616 CarbonylContact O-C 3.53Å; T601-S617 PolarHBondContact O-N 2.83Å; T601-M644 PolarHBondContact N-O 2.83Å; T601-M644 PolarHBondContact OG1-O 3.42Å; T601-P646 HydrophobicContact CG2-CG 3.86Å | ||
| 602 | G | 92.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -159.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V615 M644 | G602-V615 CarbonylContact C-O 3.39Å; G602-V615 WeakPolarHBondContact CA-O 3.19Å; G602-M644 PolarHBondContact O-N 3.2Å |
| 603 | Y | 94.4 | Very high | 85 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.4 | 178.9 | -58.2 | -85 | 0 | 0 | 0 | 111.8 | P566 F584 P586 V587 V615 S617 P618 A620 V641 R642 T643 | P566-Y603 HydrophobicContact CB-CD1 4.21Å; P566-Y603 HydrophobicContact CB-CE1 4.07Å; P566-Y603 HydrophobicContact CG-CD1 4.2Å; P566-Y603 HydrophobicContact CG-CE1 4.49Å; F584-Y603 HydrophobicContact CD2-CD1 4.39Å; F584-Y603 AromaticContact CE2-CD1 3.63Å; F584-Y603 HydrophobicContact CE2-CD1 3.63Å; F584-Y603 AromaticContact CE2-CD2 3.6Å; F584-Y603 HydrophobicContact CE2-CD2 3.6Å; F584-Y603 AromaticContact CE2-CE1 3.95Å; F584-Y603 HydrophobicContact CE2-CE1 3.95Å; F584-Y603 AromaticContact CE2-CE2 3.91Å; F584-Y603 HydrophobicContact CE2-CE2 3.91Å; F584-Y603 AromaticContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CE2-CG 3.46Å; F584-Y603 VanDerWaalsContact CE2-CG 3.46Å; F584-Y603 HydrophobicContact CZ-CD1 4.27Å; F584-Y603 AromaticContact CZ-CD2 3.81Å; F584-Y603 HydrophobicContact CZ-CD2 3.81Å; F584-Y603 AromaticContact CZ-CG 3.69Å; F584-Y603 HydrophobicContact CZ-CG 3.69Å; P586-Y603 WeakPolarHBondContact CA-OH 3.45Å; P586-Y603 WeakPolarHBondContact CB-OH 3.24Å; V587-Y603 PolarHBondContact N-OH 3.45Å; V587-Y603 VanDerWaalsContact N-OH 3.13Å; Y603-V615 PolarHBondContact N-O 3.19Å; Y603-V615 PolarHBondContact O-N 2.65Å; Y603-S617 WeakPolarHBondContact CE2-O 3.09Å; Y603-P618 VanDerWaalsContact CE2-O 3.27Å; Y603-P618 WeakPolarHBondContact CE2-O 3.35Å; Y603-P618 PolarHBondContact OH-O 3.37Å; Y603-A620 HydrophobicContact CD2-CB 4.36Å; Y603-A620 WeakPolarHBondContact CE2-O 3.4Å; Y603-V641 HydrophobicContact CD1-CG1 4.42Å; Y603-R642 CarbonylContact C-O 3.56Å; Y603-R642 VanDerWaalsContact CA-O 3.23Å; Y603-R642 WeakPolarHBondContact CA-O 3.48Å; Y603-T643 HydrophobicContact CE1-CG2 4.11Å |
| 604 | A | 93.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y606 K611 V641 R642 M644 | A604-Y606 HydrophobicContact CB-CD2 4.15Å; A604-Y606 HydrophobicContact CB-CE2 3.66Å; A604-K611 HydrophobicContact CB-CD 4.16Å; A604-K611 VanDerWaalsContact CB-CE 3.49Å; A604-K611 HydrophobicContact CB-CG 4.49Å; A604-V641 CarbonylContact O-C 3.57Å; A604-V641 WeakPolarHBondContact O-CA 3.49Å; A604-R642 PolarHBondContact N-O 3.23Å; A604-R642 PolarHBondContact O-N 3.42Å; A604-M644 HydrophobicContact CB-CG 3.91Å; A604-M644 HydrophobicContact CB-SD 3.78Å |
| 605 | I | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.2 | 177.1 | -58.1 | 75.4 | 0 | 0 | 0 | 108.1 | I582 I612 M613 V615 V623 V639 V641 | I582-I605 HydrophobicContact CD1-CG2 3.73Å; I605-I612 HydrophobicContact CB-CG1 4.09Å; I605-I612 HydrophobicContact CG2-CD1 3.75Å; I605-I612 HydrophobicContact CG2-CG1 3.8Å; I605-I612 WeakPolarHBondContact O-CG1 3.45Å; I605-I612 PolarHBondContact O-N 3.17Å; I605-M613 HydrophobicContact CB-CB 4.2Å; I605-M613 HydrophobicContact CD1-CB 4.14Å; I605-M613 HydrophobicContact CD1-CG 4.27Å; I605-M613 PolarHBondContact N-O 2.98Å; I605-M613 PolarHBondContact O-N 2.85Å; I605-V615 HydrophobicContact CD1-CG2 3.77Å; I605-V623 HydrophobicContact CD1-CG1 3.91Å; I605-V623 HydrophobicContact CG1-CG1 4.09Å; I605-V639 HydrophobicContact CG2-CG1 3.56Å; I605-V641 HydrophobicContact CG1-CG1 4.42Å; I605-V641 HydrophobicContact CG1-CG2 4.28Å |
| 606 | Y | 89.9 | Confident | 86.4 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.5 | -177 | -80.2 | -99.9 | 0 | 0 | 0 | 110.8 | A604 Q610 K611 V639 V640 R642 E649 | A604-Y606 HydrophobicContact CB-CD2 4.15Å; A604-Y606 HydrophobicContact CB-CE2 3.66Å; Y606-Q610 CarbonylContact C-O 3.55Å; Y606-Q610 VanDerWaalsContact CA-O 3.23Å; Y606-Q610 WeakPolarHBondContact CA-O 3.46Å; Y606-Q610 VanDerWaalsContact CD1-C 3.42Å; Y606-K611 HydrophobicContact CD1-CB 4.05Å; Y606-K611 VanDerWaalsContact CD1-N 3.33Å; Y606-K611 HydrophobicContact CD2-CG 4.49Å; Y606-K611 HydrophobicContact CE1-CB 3.61Å; Y606-K611 HydrophobicContact CE1-CG 4.39Å; Y606-K611 HydrophobicContact CE2-CB 4.14Å; Y606-K611 HydrophobicContact CE2-CD 4.09Å; Y606-K611 HydrophobicContact CE2-CG 4.01Å; Y606-K611 HydrophobicContact CG-CB 4.48Å; Y606-V639 CarbonylContact O-C 3.39Å; Y606-V639 VanDerWaalsContact O-CA 3.31Å; Y606-V639 WeakPolarHBondContact O-CA 3.43Å; Y606-V639 WeakPolarHBondContact O-CG1 3.21Å; Y606-V640 PolarHBondContact N-O 2.95Å; Y606-V640 PolarHBondContact O-N 3.34Å; Y606-R642 HydrophobicContact CD2-CG 4.33Å; Y606-R642 HydrophobicContact CE2-CG 4.39Å; Y606-E649 WeakPolarHBondContact CE2-OE2 3.48Å; Y606-E649 PolarHBondContact OH-OE1 2.68Å; Y606-E649 PolarHBondContact OH-OE2 3.39Å |
| 607 | A | 85.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G609 Q610 I612 L630 L633 C636 V639 | A607-G609 PolarHBondContact O-N 3.41Å; A607-Q610 PolarHBondContact N-O 2.84Å; A607-Q610 PolarHBondContact O-N 2.89Å; A607-I612 HydrophobicContact CB-CD1 4.15Å; A607-I612 HydrophobicContact CB-CG2 4.1Å; A607-L630 HydrophobicContact CB-CD2 3.69Å; A607-L633 HydrophobicContact CB-CD1 4.27Å; A607-C636 HydrophobicContact CB-CB 4.31Å; A607-V639 HydrophobicContact CB-CG2 4.48Å |
| 608 | D | 78.8 | Confident | 87.9 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.5 | 36.9 | -170 | -62.6 | -4.1 | 0 | 0 | 0 | 113.9 | Q610 C636 R637 | D608-Q610 VanDerWaalsContact C-N 3.35Å; D608-Q610 PolarHBondContact O-N 3.44Å; D608-C636 WeakPolarHBondContact OD1-CA 3.01Å; D608-C636 VanDerWaalsContact OD2-CA 3.26Å; D608-C636 WeakPolarHBondContact OD2-CA 3.05Å; D608-C636 PolarHBondContact OD2-SG 2.91Å; D608-R637 PolarHBondContact OD1-N 3.34Å |
| 609 | G | 79.2 | Confident | 88.3 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 62% | 0.619 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A607 | A607-G609 PolarHBondContact O-N 3.41Š|
| 610 | Q | 81.4 | Confident | 88.6 | Confident | 120 Ų | 120 | 45 Ų | 45 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.3 | 171.8 | -59.7 | -166.7 | 13.3 | 0 | 0 | 111.6 | Y606 A607 D608 I612 L633 | Y606-Q610 CarbonylContact C-O 3.55Å; Y606-Q610 VanDerWaalsContact CA-O 3.23Å; Y606-Q610 WeakPolarHBondContact CA-O 3.46Å; Y606-Q610 VanDerWaalsContact CD1-C 3.42Å; A607-Q610 PolarHBondContact N-O 2.84Å; A607-Q610 PolarHBondContact O-N 2.89Å; D608-Q610 VanDerWaalsContact C-N 3.35Å; D608-Q610 PolarHBondContact O-N 3.44Å; Q610-I612 PolarHBondContact O-N 3.25Å; Q610-L633 HydrophobicContact CB-CD1 4.33Å; Q610-L633 VanDerWaalsContact OE1-CD2 3.28Å |
| 611 | K | 88.3 | Confident | 88.6 | Confident | 77 Ų | 77 | 46.1 Ų | 46.1 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 117.2 | 177.7 | -168.3 | 166.6 | 177 | 164.1 | 0 | 109.9 | A604 Y606 E614 E649 | A604-K611 HydrophobicContact CB-CD 4.16Å; A604-K611 VanDerWaalsContact CB-CE 3.49Å; A604-K611 HydrophobicContact CB-CG 4.49Å; Y606-K611 HydrophobicContact CD1-CB 4.05Å; Y606-K611 VanDerWaalsContact CD1-N 3.33Å; Y606-K611 HydrophobicContact CD2-CG 4.49Å; Y606-K611 HydrophobicContact CE1-CB 3.61Å; Y606-K611 HydrophobicContact CE1-CG 4.39Å; Y606-K611 HydrophobicContact CE2-CB 4.14Å; Y606-K611 HydrophobicContact CE2-CD 4.09Å; Y606-K611 HydrophobicContact CE2-CG 4.01Å; Y606-K611 HydrophobicContact CG-CB 4.48Å; K611-E614 WeakPolarHBondContact CE-OE2 3.23Å; K611-E614 IonicContact NZ-OE2 2.75Å; K611-E614 PolarHBondContact NZ-OE2 3.05Å; K611-E649 IonicContact NZ-OE1 3.98Å; K611-E649 PolarHBondContact NZ-OE1 2.87Å |
| 612 | I | 87.1 | Confident | 88.6 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -30 | -177.9 | 59.9 | 173 | 0 | 0 | 0 | 113 | I605 A607 Q610 V625 L630 L633 | I605-I612 HydrophobicContact CB-CG1 4.09Å; I605-I612 HydrophobicContact CG2-CD1 3.75Å; I605-I612 HydrophobicContact CG2-CG1 3.8Å; I605-I612 WeakPolarHBondContact O-CG1 3.45Å; I605-I612 PolarHBondContact O-N 3.17Å; A607-I612 HydrophobicContact CB-CD1 4.15Å; A607-I612 HydrophobicContact CB-CG2 4.1Å; Q610-I612 PolarHBondContact O-N 3.25Å; I612-V625 HydrophobicContact CD1-CG1 4.08Å; I612-L630 HydrophobicContact CD1-CD2 3.49Å; I612-L630 VanDerWaalsContact CD1-CD2 3.49Å; I612-L630 HydrophobicContact CD1-CG 4.25Å; I612-L633 HydrophobicContact CG2-CD1 3.83Å |
| 613 | M | 88.2 | Confident | 88.6 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.5 | -174.9 | -173.3 | 60.9 | 66.9 | 0 | 0 | 110.9 | I605 V625 Q629 | I605-M613 HydrophobicContact CB-CB 4.2Å; I605-M613 HydrophobicContact CD1-CB 4.14Å; I605-M613 HydrophobicContact CD1-CG 4.27Å; I605-M613 PolarHBondContact N-O 2.98Å; I605-M613 PolarHBondContact O-N 2.85Å; M613-V625 HydrophobicContact CB-CG2 4.39Å; M613-Q629 VanDerWaalsContact CE-OE1 3.27Å |
| 614 | E | 92.6 | Very high | 88.5 | Confident | 106 Ų | 106 | 52.3 Ų | 52.3 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 137.9 | 174.1 | 178.5 | 166.2 | 141.5 | 0 | 0 | 110.1 | K611 M644 | K611-E614 WeakPolarHBondContact CE-OE2 3.23Å; K611-E614 IonicContact NZ-OE2 2.75Å; K611-E614 PolarHBondContact NZ-OE2 3.05Å; E614-M644 HydrophobicContact CG-CE 4.36Å; E614-M644 HydrophobicContact CG-SD 3.55Å; E614-M644 VanDerWaalsContact CG-SD 3.55Å; E614-M644 WeakPolarHBondContact OE2-CE 3.39Å |
| 615 | V | 91.6 | Very high | 88.2 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 97.6 | -176.5 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | G602 Y603 I605 S617 A620 V623 | G602-V615 CarbonylContact C-O 3.39Å; G602-V615 WeakPolarHBondContact CA-O 3.19Å; Y603-V615 PolarHBondContact N-O 3.19Å; Y603-V615 PolarHBondContact O-N 2.65Å; I605-V615 HydrophobicContact CD1-CG2 3.77Å; V615-S617 PolarHBondContact O-N 3.38Å; V615-A620 HydrophobicContact CG1-CB 3.64Å; V615-V623 HydrophobicContact CG2-CB 3.95Å; V615-V623 HydrophobicContact CG2-CG1 4.48Å; V615-V623 HydrophobicContact CG2-CG2 3.42Å; V615-V623 VanDerWaalsContact CG2-CG2 3.42Å |
| 616 | A | 91.4 | Very high | 87.8 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 75% | 0.752 | 34% | 0.338 | S | S | * | . | trans | -75.2 | 58.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T601 | T601-A616 CarbonylContact O-C 3.53Š| ||
| 617 | S | 89.9 | Confident | 87.1 | Confident | 42 Ų | 42 | 56.6 Ų | 56.6 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | trans | -145.1 | 113.1 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | T601 Y603 V615 T619 A620 | T601-S617 PolarHBondContact O-N 2.83Å; Y603-S617 WeakPolarHBondContact CE2-O 3.09Å; V615-S617 PolarHBondContact O-N 3.38Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 VanDerWaalsContact O-N 3.15Å; S617-A620 PolarHBondContact O-N 3.09Å | ||
| 618 | P | 88.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 59.3 Ų | 59.3 | 26% | 0.26 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.5 | -179.2 | -26.6 | 36.4 | 0 | 0 | 0 | 114.8 | I589 V600 Y603 | I589-P618 HydrophobicContact CD1-CB 4.29Å; V600-P618 HydrophobicContact CB-CB 4.18Å; V600-P618 HydrophobicContact CG1-CB 3.82Å; V600-P618 HydrophobicContact CG1-CG 4.46Å; V600-P618 VanDerWaalsContact O-CG 3.29Å; V600-P618 WeakPolarHBondContact O-CG 3.35Å; Y603-P618 VanDerWaalsContact CE2-O 3.27Å; Y603-P618 WeakPolarHBondContact CE2-O 3.35Å; Y603-P618 PolarHBondContact OH-O 3.37Å |
| 619 | T | 86.4 | Confident | 86 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 63% | 0.632 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 8 | -175.8 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | I589 S617 G621 | I589-T619 HydrophobicContact CD1-CG2 4.13Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 VanDerWaalsContact O-N 3.15Å; T619-G621 PolarHBondContact O-N 3.36Å |
| 620 | A | 90.4 | Very high | 85.4 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 12% | 0.124 | 32% | 0.324 | C | S | . | . | trans | -68.2 | 118.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F584 Y603 V615 S617 | F584-A620 WeakPolarHBondContact CE2-O 3.26Å; F584-A620 VanDerWaalsContact CZ-O 3.28Å; F584-A620 WeakPolarHBondContact CZ-O 3.23Å; Y603-A620 HydrophobicContact CD2-CB 4.36Å; Y603-A620 WeakPolarHBondContact CE2-O 3.4Å; V615-A620 HydrophobicContact CG1-CB 3.64Å; S617-A620 PolarHBondContact O-N 3.09Å | ||
| 621 | G | 89.5 | Confident | 84.2 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | trans | -105.8 | 7.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S583 F584 T619 | S583-G621 WeakPolarHBondContact CA-O 3.44Å; F584-G621 PolarHBondContact N-O 3.32Å; F584-G621 CarbonylContact O-C 3.58Å; F584-G621 WeakPolarHBondContact O-CA 3.4Å; T619-G621 PolarHBondContact O-N 3.36Å | ||
| 622 | S | 90.8 | Very high | 82.8 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 156.2 | 166.8 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | I582 | I582-S622 CarbonylContact O-C 3.57Å; I582-S622 WeakPolarHBondContact O-CA 3.31Å |
| 623 | V | 92.1 | Very high | 81.1 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 15% | 0.145 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.6 | 168.2 | 93.6 | 0 | 0 | 0 | 0 | 111.1 | I582 I605 V615 V625 | I582-V623 HydrophobicContact CB-CG1 4.49Å; I582-V623 PolarHBondContact N-O 3.28Å; I582-V623 PolarHBondContact O-N 3.34Å; I605-V623 HydrophobicContact CD1-CG1 3.91Å; I605-V623 HydrophobicContact CG1-CG1 4.09Å; V615-V623 HydrophobicContact CG2-CB 3.95Å; V615-V623 HydrophobicContact CG2-CG1 4.48Å; V615-V623 HydrophobicContact CG2-CG2 3.42Å; V615-V623 VanDerWaalsContact CG2-CG2 3.42Å; V623-V625 HydrophobicContact CG1-CG2 3.76Å |
| 624 | L | 90.7 | Very high | 79.5 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 48% | 0.482 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.5 | 170.8 | -61.1 | 177.5 | 0 | 0 | 0 | 109.3 | I579 L580 I581 | I579-L624 HydrophobicContact CG2-CB 4.05Å; I579-L624 HydrophobicContact CG2-CD2 4.17Å; L580-L624 WeakPolarHBondContact O-CA 3.36Å; I581-L624 HydrophobicContact CB-CD2 4.26Å; I581-L624 HydrophobicContact CD1-CD2 4.24Å; I581-L624 HydrophobicContact CG1-CD2 3.71Å; I581-L624 HydrophobicContact CG2-CD2 4.24Å |
| 625 | V | 87.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132 | 174.1 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | L580 I582 I612 M613 V623 L630 | L580-V625 PolarHBondContact N-O 2.94Å; L580-V625 PolarHBondContact O-N 2.92Å; I582-V625 HydrophobicContact CD1-CB 4.03Å; I582-V625 HydrophobicContact CD1-CG2 3.53Å; I612-V625 HydrophobicContact CD1-CG1 4.08Å; M613-V625 HydrophobicContact CB-CG2 4.39Å; V623-V625 HydrophobicContact CG1-CG2 3.76Å; V625-L630 HydrophobicContact CG1-CD1 4.07Å; V625-L630 HydrophobicContact CG1-CG 4.08Å |
| 626 | E | 82.9 | Confident | 76.6 | Confident | 97 Ų | 97 | 64 Ų | 64 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.5 | 175.9 | -158.6 | -173.2 | 139.5 | 0 | 0 | 109.5 | G578 S628 Q629 | G578-E626 CarbonylContact O-C 3.43Å; G578-E626 WeakPolarHBondContact O-CA 3.28Å; G578-E626 WeakPolarHBondContact O-CG 3.39Å; E626-S628 WeakPolarHBondContact CG-OG 3.31Å; E626-S628 PolarHBondContact O-N 3.44Å; E626-S628 VanDerWaalsContact O-N 3.09Å; E626-S628 WeakPolarHBondContact OE1-CB 3.44Å; E626-S628 PolarHBondContact OE1-OG 3.4Å; E626-Q629 HydrophobicContact CB-CG 4.24Å; E626-Q629 WeakPolarHBondContact O-CB 3.43Å; E626-Q629 PolarHBondContact O-N 3.46Å |
| 627 | L | 77 | Confident | 75.8 | Confident | 23 Ų | 23 | 68.1 Ų | 68.1 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.5 | -30.9 | 177 | -87.3 | 164.7 | 0 | 0 | 0 | 111.4 | G578 L580 Q629 L630 Q631 A665 | G578-L627 WeakPolarHBondContact O-CB 3.42Å; G578-L627 PolarHBondContact O-N 3.36Å; L580-L627 HydrophobicContact CD1-CD2 3.76Å; L580-L627 HydrophobicContact CD1-CG 4.27Å; L580-L627 HydrophobicContact CG-CD1 4.46Å; L580-L627 HydrophobicContact CG-CD2 4.07Å; L580-L627 HydrophobicContact CG-CG 4.03Å; L627-Q629 VanDerWaalsContact C-N 3.25Å; L627-Q629 PolarHBondContact O-N 3.37Å; L627-L630 HydrophobicContact CD2-CD1 4.34Å; L627-L630 CarbonylContact O-C 3.57Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.45Å; L627-L630 VanDerWaalsContact O-N 3.14Å; L627-Q631 VanDerWaalsContact O-CB 3.24Å; L627-Q631 WeakPolarHBondContact O-CB 3.36Å; L627-Q631 PolarHBondContact O-N 3.09Å; L627-A665 HydrophobicContact CD1-CB 4.2Å |
| 628 | S | 71.1 | Confident | 75.6 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -30.3 | 176.2 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | E626 Q631 L632 | E626-S628 WeakPolarHBondContact CG-OG 3.31Å; E626-S628 PolarHBondContact O-N 3.44Å; E626-S628 VanDerWaalsContact O-N 3.09Å; E626-S628 WeakPolarHBondContact OE1-CB 3.44Å; E626-S628 PolarHBondContact OE1-OG 3.4Å; S628-Q631 PolarHBondContact O-N 3.36Å; S628-L632 PolarHBondContact O-N 2.86Å |
| 629 | Q | 69.1 | Low | 75.6 | Confident | 73 Ų | 73 | 69 Ų | 69 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | 175.6 | -61.1 | 172.8 | 5.2 | 0 | 0 | 110.6 | M613 E626 L627 Q631 | M613-Q629 VanDerWaalsContact CE-OE1 3.27Å; E626-Q629 HydrophobicContact CB-CG 4.24Å; E626-Q629 WeakPolarHBondContact O-CB 3.43Å; E626-Q629 PolarHBondContact O-N 3.46Å; L627-Q629 VanDerWaalsContact C-N 3.25Å; L627-Q629 PolarHBondContact O-N 3.37Å; Q629-Q631 VanDerWaalsContact C-N 3.34Å |
| 630 | L | 67.7 | Low | 75.8 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.2 | -30.6 | 170.3 | -68.1 | 166.2 | 0 | 0 | 0 | 112 | L580 A607 I612 V625 L627 L632 L633 I658 | L580-L630 HydrophobicContact CD1-CD1 3.81Å; A607-L630 HydrophobicContact CB-CD2 3.69Å; I612-L630 HydrophobicContact CD1-CD2 3.49Å; I612-L630 VanDerWaalsContact CD1-CD2 3.49Å; I612-L630 HydrophobicContact CD1-CG 4.25Å; V625-L630 HydrophobicContact CG1-CD1 4.07Å; V625-L630 HydrophobicContact CG1-CG 4.08Å; L627-L630 HydrophobicContact CD2-CD1 4.34Å; L627-L630 CarbonylContact O-C 3.57Å; L627-L630 WeakPolarHBondContact O-CB 3.43Å; L627-L630 PolarHBondContact O-N 3.45Å; L627-L630 VanDerWaalsContact O-N 3.14Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.43Å; L630-L633 CarbonylContact O-C 3.44Å; L630-L633 VanDerWaalsContact O-CA 3.29Å; L630-L633 WeakPolarHBondContact O-CA 3.35Å; L630-L633 WeakPolarHBondContact O-CB 3.4Å; L630-L633 PolarHBondContact O-N 2.99Å; L630-I658 HydrophobicContact CD1-CD1 4.49Å; L630-I658 HydrophobicContact CD2-CD1 4.44Å |
| 631 | Q | 56.3 | Low | 76 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -79.7 | -9.8 | -177.5 | -141.3 | 141.1 | 23.7 | 0 | 0 | 113.2 | L627 S628 Q629 Q634 | L627-Q631 VanDerWaalsContact O-CB 3.24Å; L627-Q631 WeakPolarHBondContact O-CB 3.36Å; L627-Q631 PolarHBondContact O-N 3.09Å; S628-Q631 PolarHBondContact O-N 3.36Å; Q629-Q631 VanDerWaalsContact C-N 3.34Å; Q631-Q634 WeakPolarHBondContact O-CG 3.41Å |
| 632 | L | 57.5 | Low | 76.2 | Confident | 152 Ų | 152 | 65.7 Ų | 65.7 | 80% | 0.796 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23 | 161.2 | -164.6 | 64.5 | 0 | 0 | 0 | 111.1 | S628 L630 | S628-L632 PolarHBondContact O-N 2.86Å; L630-L632 VanDerWaalsContact C-N 3.28Å; L630-L632 PolarHBondContact O-N 3.43Å |
| 633 | L | 52.8 | Low | 76.2 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -109.1 | 68 | 176.3 | -48.1 | 176.5 | 0 | 0 | 0 | 109.4 | A607 Q610 I612 L630 V635 C636 | A607-L633 HydrophobicContact CB-CD1 4.27Å; Q610-L633 HydrophobicContact CB-CD1 4.33Å; Q610-L633 VanDerWaalsContact OE1-CD2 3.28Å; I612-L633 HydrophobicContact CG2-CD1 3.83Å; L630-L633 CarbonylContact O-C 3.44Å; L630-L633 VanDerWaalsContact O-CA 3.29Å; L630-L633 WeakPolarHBondContact O-CA 3.35Å; L630-L633 WeakPolarHBondContact O-CB 3.4Å; L630-L633 PolarHBondContact O-N 2.99Å; L633-V635 PolarHBondContact O-N 3.43Å; L633-C636 WeakPolarHBondContact CB-SG 3.43Å; L633-C636 PolarHBondContact O-N 2.98Å |
| 634 | Q | 53.7 | Low | 76.1 | Confident | 174 Ų | 174 | 62.4 Ų | 62.4 | 81% | 0.813 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 8.7 | -165.4 | -68.1 | -170.2 | -6.9 | 0 | 0 | 118.2 | Q631 | Q631-Q634 WeakPolarHBondContact O-CG 3.41Š|
| 635 | V | 58.6 | Low | 76 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 62% | 0.624 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.7 | -4.3 | -178.6 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | L633 R637 | L633-V635 PolarHBondContact O-N 3.43Å; V635-R637 VanDerWaalsContact O-CG 3.27Å; V635-R637 WeakPolarHBondContact O-CG 3.45Å; V635-R637 PolarHBondContact O-N 3.14Å |
| 636 | C | 65.8 | Low | 75.5 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 14% | 0.142 | 31% | 0.312 | C | S | . | . | trans | -52.7 | 123.8 | -172.4 | -74 | 0 | 0 | 0 | 0 | 113.7 | A607 D608 L633 I658 | A607-C636 HydrophobicContact CB-CB 4.31Å; D608-C636 WeakPolarHBondContact OD1-CA 3.01Å; D608-C636 VanDerWaalsContact OD2-CA 3.26Å; D608-C636 WeakPolarHBondContact OD2-CA 3.05Å; D608-C636 PolarHBondContact OD2-SG 2.91Å; L633-C636 WeakPolarHBondContact CB-SG 3.43Å; L633-C636 PolarHBondContact O-N 2.98Å; C636-I658 HydrophobicContact CB-CD1 4.14Å | ||
| 637 | R | 73.3 | Confident | 75 | Confident | 178 Ų | 178 | 61.6 Ų | 61.6 | 67% | 0.672 | 31% | 0.308 | S | S | * | . | trans | -107.6 | -24.4 | -179.1 | -58.3 | -168.5 | 178.1 | -179 | -1.6 | 112.4 | D608 V635 P657 I658 | D608-R637 PolarHBondContact OD1-N 3.34Å; V635-R637 VanDerWaalsContact O-CG 3.27Å; V635-R637 WeakPolarHBondContact O-CG 3.45Å; V635-R637 PolarHBondContact O-N 3.14Å; R637-P657 CarbonylContact O-C 3.59Å; R637-P657 VanDerWaalsContact O-CA 3.32Å; R637-P657 WeakPolarHBondContact O-CA 3.39Å; R637-I658 PolarHBondContact O-N 2.84Å | ||
| 638 | E | 85.3 | Confident | 75 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 146.7 | -169.1 | -68.5 | 172.7 | -178.4 | 0 | 0 | 110.7 | P655 A656 | E638-P655 HydrophobicContact CB-CB 4.06Å; E638-P655 HydrophobicContact CG-CB 4.23Å; E638-A656 WeakPolarHBondContact CA-O 3.34Å |
| 639 | V | 88.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.2 | 173.6 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | I571 I582 I605 Y606 A607 A656 I658 | I571-V639 HydrophobicContact CD1-CB 3.91Å; I571-V639 HydrophobicContact CD1-CG2 3.75Å; I582-V639 HydrophobicContact CD1-CG1 4.06Å; I605-V639 HydrophobicContact CG2-CG1 3.56Å; Y606-V639 CarbonylContact O-C 3.39Å; Y606-V639 VanDerWaalsContact O-CA 3.31Å; Y606-V639 WeakPolarHBondContact O-CA 3.43Å; Y606-V639 WeakPolarHBondContact O-CG1 3.21Å; A607-V639 HydrophobicContact CB-CG2 4.48Å; V639-A656 PolarHBondContact N-O 3.06Å; V639-A656 PolarHBondContact O-N 2.85Å; V639-I658 HydrophobicContact CG2-CD1 3.81Å; V639-I658 HydrophobicContact CG2-CG1 3.86Å |
| 640 | V | 92.2 | Very high | 76.6 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 152.2 | 169.9 | -64 | 0 | 0 | 0 | 0 | 109.7 | Y606 D652 S653 P655 | Y606-V640 PolarHBondContact N-O 2.95Å; Y606-V640 PolarHBondContact O-N 3.34Å; V640-D652 HydrophobicContact CB-CB 4.15Å; V640-D652 HydrophobicContact CG1-CB 4.23Å; V640-D652 HydrophobicContact CG2-CB 4.24Å; V640-D652 WeakPolarHBondContact CG2-OD1 3.31Å; V640-S653 WeakPolarHBondContact CA-OG 3.32Å; V640-S653 WeakPolarHBondContact CG1-O 3.37Å; V640-P655 HydrophobicContact CG1-CB 3.9Å; V640-P655 HydrophobicContact CG1-CG 3.81Å |
| 641 | V | 93.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.3 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 108 | P566 V569 I582 F584 Y603 A604 I605 S653 | P566-V641 WeakPolarHBondContact CD-O 3.44Å; P566-V641 HydrophobicContact CG-CB 3.75Å; P566-V641 HydrophobicContact CG-CG1 3.75Å; P566-V641 WeakPolarHBondContact CG-O 3.33Å; V569-V641 HydrophobicContact CG1-CG2 3.82Å; V569-V641 HydrophobicContact CG2-CB 4.14Å; V569-V641 HydrophobicContact CG2-CG2 3.9Å; I582-V641 HydrophobicContact CG2-CG2 4.1Å; F584-V641 HydrophobicContact CD1-CG1 4.23Å; F584-V641 HydrophobicContact CD1-CG2 4.19Å; F584-V641 HydrophobicContact CD2-CG1 4.48Å; F584-V641 HydrophobicContact CE1-CG1 4.14Å; F584-V641 HydrophobicContact CE2-CG1 4.38Å; F584-V641 HydrophobicContact CG-CG1 4.4Å; F584-V641 HydrophobicContact CZ-CG1 4.22Å; Y603-V641 HydrophobicContact CD1-CG1 4.42Å; A604-V641 CarbonylContact O-C 3.57Å; A604-V641 WeakPolarHBondContact O-CA 3.49Å; I605-V641 HydrophobicContact CG1-CG1 4.42Å; I605-V641 HydrophobicContact CG1-CG2 4.28Å; V641-S653 PolarHBondContact N-OG 2.93Å; V641-S653 VanDerWaalsContact O-CB 3.26Å; V641-S653 WeakPolarHBondContact O-CB 3.43Å; V641-S653 PolarHBondContact O-N 3.45Å; V641-S653 PolarHBondContact O-OG 3.39Å |
| 642 | R | 93.1 | Very high | 78.9 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.3 | 175.2 | -63 | -179.1 | -179.7 | -172.6 | -9.1 | 110.1 | Y603 A604 Y606 E649 S650 D652 | Y603-R642 CarbonylContact C-O 3.56Å; Y603-R642 VanDerWaalsContact CA-O 3.23Å; Y603-R642 WeakPolarHBondContact CA-O 3.48Å; A604-R642 PolarHBondContact N-O 3.23Å; A604-R642 PolarHBondContact O-N 3.42Å; Y606-R642 HydrophobicContact CD2-CG 4.33Å; Y606-R642 HydrophobicContact CE2-CG 4.39Å; R642-E649 HydrophobicContact CB-CB 4.23Å; R642-E649 WeakPolarHBondContact CD-OE2 3.42Å; R642-E649 IonicContact NH1-OE2 2.81Å; R642-S650 VanDerWaalsContact CA-OG 3.31Å; R642-S650 WeakPolarHBondContact CA-OG 3.45Å; R642-S650 WeakPolarHBondContact CD-O 3.48Å; R642-D652 IonicContact CZ-OD1 2.73Å; R642-D652 VanDerWaalsContact CZ-OD1 3.23Å; R642-D652 IonicContact CZ-OD2 3.65Å; R642-D652 IonicContact NE-OD1 3.38Å; R642-D652 PolarHBondContact NE-OD1 2.93Å; R642-D652 IonicContact NE-OD2 3.64Å; R642-D652 IonicContact NH2-OD1 2.8Å; R642-D652 PolarHBondContact NH2-OD1 3.19Å; R642-D652 IonicContact NH2-OD2 3.74Å; R642-D652 PolarHBondContact NH2-OD2 3.49Å |
| 643 | T | 92 | Very high | 80.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.5 | 166.7 | -54.1 | 0 | 0 | 0 | 0 | 108.7 | P563 D564 P566 V587 V600 Y603 E649 S650 | P563-T643 HydrophobicContact CB-CG2 4Å; P563-T643 HydrophobicContact CG-CG2 4.4Å; D564-T643 WeakPolarHBondContact O-CB 3.19Å; D564-T643 PolarHBondContact O-OG1 3Å; P566-T643 WeakPolarHBondContact CD-OG1 3.35Å; V587-T643 HydrophobicContact CG1-CG2 4.48Å; V587-T643 WeakPolarHBondContact CG1-OG1 3.47Å; V587-T643 HydrophobicContact CG2-CG2 3.87Å; V600-T643 HydrophobicContact CB-CG2 4.31Å; V600-T643 HydrophobicContact CG1-CG2 3.6Å; V600-T643 HydrophobicContact CG2-CG2 3.84Å; Y603-T643 HydrophobicContact CE1-CG2 4.11Å; T643-E649 CarbonylContact O-C 3.57Å; T643-E649 VanDerWaalsContact O-CA 3.3Å; T643-E649 WeakPolarHBondContact O-CA 3.34Å; T643-S650 PolarHBondContact N-OG 2.98Å; T643-S650 PolarHBondContact O-N 3.29Å |
| 644 | M | 90.6 | Very high | 82.2 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.7 | 178.5 | -63.9 | -167.6 | 66.1 | 0 | 0 | 111.4 | V600 T601 G602 A604 E614 E649 | V600-M644 WeakPolarHBondContact CA-O 3.45Å; T601-M644 PolarHBondContact N-O 2.83Å; T601-M644 PolarHBondContact OG1-O 3.42Å; G602-M644 PolarHBondContact O-N 3.2Å; A604-M644 HydrophobicContact CB-CG 3.91Å; A604-M644 HydrophobicContact CB-SD 3.78Å; E614-M644 HydrophobicContact CG-CE 4.36Å; E614-M644 HydrophobicContact CG-SD 3.55Å; E614-M644 VanDerWaalsContact CG-SD 3.55Å; E614-M644 WeakPolarHBondContact OE2-CE 3.39Å; M644-E649 HydrophobicContact CG-CG 4.24Å |
| 645 | S | 86.8 | Confident | 83.8 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.063 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 169.6 | 171.2 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | R599 H647 G648 | R599-S645 WeakPolarHBondContact O-CA 3.42Å; R599-S645 WeakPolarHBondContact O-CB 3.44Å; S645-H647 PolarHBondContact O-N 3.35Å; S645-H647 VanDerWaalsContact O-N 3.16Å; S645-H647 PolarHBondContact OG-N 2.9Å; S645-H647 VanDerWaalsContact OG-N 3.16Å; S645-G648 PolarHBondContact N-O 3.36Å; S645-G648 PolarHBondContact O-N 3.41Å; S645-G648 PolarHBondContact OG-N 2.87Å; S645-G648 VanDerWaalsContact OG-N 3.09Å; S645-G648 PolarHBondContact OG-O 3.37Å |
| 646 | P | 78.1 | Confident | 85 | Confident | 82 Ų | 82 | 47 Ų | 47 | 53% | 0.532 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18 | 171 | -19.3 | 32.8 | 0 | 0 | 0 | 113.7 | R599 T601 | R599-P646 WeakPolarHBondContact O-CD 3.35Å; T601-P646 HydrophobicContact CG2-CG 3.86Å |
| 647 | H | 72.9 | Confident | 85.9 | Confident | 81 Ų | 81 | 50 Ų | 50 | 38% | 0.375 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -8.9 | -174 | -54.7 | -83.2 | 0 | 0 | 0 | 112.6 | A514 Y550 S645 | A514-H647 WeakPolarHBondContact CB-O 3.12Å; Y550-H647 HydrophobicContact CD1-CB 4.49Å; S645-H647 PolarHBondContact O-N 3.35Å; S645-H647 VanDerWaalsContact O-N 3.16Å; S645-H647 PolarHBondContact OG-N 2.9Å; S645-H647 VanDerWaalsContact OG-N 3.16Å |
| 648 | G | 76.6 | Confident | 86 | Confident | 27 Ų | 27 | 43 Ų | 43 | 28% | 0.278 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 142.6 | -165.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S645 | S645-G648 PolarHBondContact N-O 3.36Å; S645-G648 PolarHBondContact O-N 3.41Å; S645-G648 PolarHBondContact OG-N 2.87Å; S645-G648 VanDerWaalsContact OG-N 3.09Å; S645-G648 PolarHBondContact OG-O 3.37Å |
| 649 | E | 85.8 | Confident | 85 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 15% | 0.15 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 155.3 | -176.3 | -56.9 | -177.5 | 160.5 | 0 | 0 | 111.2 | Y550 Y606 K611 R642 T643 M644 | Y550-E649 PolarHBondContact OH-O 3.36Å; Y606-E649 WeakPolarHBondContact CE2-OE2 3.48Å; Y606-E649 PolarHBondContact OH-OE1 2.68Å; Y606-E649 PolarHBondContact OH-OE2 3.39Å; K611-E649 IonicContact NZ-OE1 3.98Å; K611-E649 PolarHBondContact NZ-OE1 2.87Å; R642-E649 HydrophobicContact CB-CB 4.23Å; R642-E649 WeakPolarHBondContact CD-OE2 3.42Å; R642-E649 IonicContact NH1-OE2 2.81Å; T643-E649 CarbonylContact O-C 3.57Å; T643-E649 VanDerWaalsContact O-CA 3.3Å; T643-E649 WeakPolarHBondContact O-CA 3.34Å; M644-E649 HydrophobicContact CG-CG 4.24Å |
| 650 | S | 87.9 | Confident | 83.5 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | trans | -64.9 | 175.9 | 174.8 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | P563 D564 R642 T643 | P563-S650 WeakPolarHBondContact O-CB 3.31Å; D564-S650 WeakPolarHBondContact O-CB 3.34Å; R642-S650 VanDerWaalsContact CA-OG 3.31Å; R642-S650 WeakPolarHBondContact CA-OG 3.45Å; R642-S650 WeakPolarHBondContact CD-O 3.48Å; T643-S650 PolarHBondContact N-OG 2.98Å; T643-S650 PolarHBondContact O-N 3.29Å | ||
| 651 | A | 84.6 | Confident | 81.4 | Confident | 66 Ų | 66 | 50 Ų | 50 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 161 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A565 | A565-A651 WeakPolarHBondContact CB-O 3.39Š|
| 652 | D | 88.1 | Confident | 79.5 | Confident | 73 Ų | 73 | 51.2 Ų | 51.2 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 138.2 | 172.7 | -69.4 | -56.4 | 0 | 0 | 0 | 111.3 | V640 R642 | V640-D652 HydrophobicContact CB-CB 4.15Å; V640-D652 HydrophobicContact CG1-CB 4.23Å; V640-D652 HydrophobicContact CG2-CB 4.24Å; V640-D652 WeakPolarHBondContact CG2-OD1 3.31Å; R642-D652 IonicContact CZ-OD1 2.73Å; R642-D652 VanDerWaalsContact CZ-OD1 3.23Å; R642-D652 IonicContact CZ-OD2 3.65Å; R642-D652 IonicContact NE-OD1 3.38Å; R642-D652 PolarHBondContact NE-OD1 2.93Å; R642-D652 IonicContact NE-OD2 3.64Å; R642-D652 IonicContact NH2-OD1 2.8Å; R642-D652 PolarHBondContact NH2-OD1 3.19Å; R642-D652 IonicContact NH2-OD2 3.74Å; R642-D652 PolarHBondContact NH2-OD2 3.49Å |
| 653 | S | 91.1 | Very high | 77.4 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 166.7 | 161.9 | 70.6 | 0 | 0 | 0 | 0 | 111.1 | P566 V569 V640 V641 P655 | P566-S653 VanDerWaalsContact O-CB 3.27Å; P566-S653 WeakPolarHBondContact O-CB 3.5Å; V569-S653 WeakPolarHBondContact CG2-OG 3.46Å; V640-S653 WeakPolarHBondContact CA-OG 3.32Å; V640-S653 WeakPolarHBondContact CG1-O 3.37Å; V641-S653 PolarHBondContact N-OG 2.93Å; V641-S653 VanDerWaalsContact O-CB 3.26Å; V641-S653 WeakPolarHBondContact O-CB 3.43Å; V641-S653 PolarHBondContact O-N 3.45Å; V641-S653 PolarHBondContact O-OG 3.39Å; S653-P655 WeakPolarHBondContact O-CD 3.42Å |
| 654 | I | 86.8 | Confident | 75.4 | Confident | 138 Ų | 138 | 55.5 Ų | 55.5 | 71% | 0.708 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 129.3 | 165.6 | -59.4 | 176.3 | 0 | 0 | 0 | 108.6 | A656 | I654-A656 PolarHBondContact O-N 3.18Š|
| 655 | P | 87.4 | Confident | 73.2 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 123.6 | -179.9 | -23.2 | 33.2 | 0 | 0 | 0 | 112.6 | E638 V640 S653 | E638-P655 HydrophobicContact CB-CB 4.06Å; E638-P655 HydrophobicContact CG-CB 4.23Å; V640-P655 HydrophobicContact CG1-CB 3.9Å; V640-P655 HydrophobicContact CG1-CG 3.81Å; S653-P655 WeakPolarHBondContact O-CD 3.42Å |
| 656 | A | 85.4 | Confident | 71 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 117 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V569 I571 E638 V639 I654 | V569-A656 HydrophobicContact CB-CB 4.05Å; V569-A656 HydrophobicContact CG1-CB 3.69Å; V569-A656 WeakPolarHBondContact O-CB 3.21Å; I571-A656 HydrophobicContact CD1-CB 3.9Å; I571-A656 WeakPolarHBondContact CD1-O 3.34Å; I571-A656 HydrophobicContact CG1-CB 3.93Å; E638-A656 WeakPolarHBondContact CA-O 3.34Å; V639-A656 PolarHBondContact N-O 3.06Å; V639-A656 PolarHBondContact O-N 2.85Å; I654-A656 PolarHBondContact O-N 3.18Å |
| 657 | P | 82.8 | Confident | 69.2 | Low | 85 Ų | 85 | 61.2 Ų | 61.2 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132 | -177.9 | 28.3 | -34 | 0 | 0 | 0 | 111.6 | R637 T659 | R637-P657 CarbonylContact O-C 3.59Å; R637-P657 VanDerWaalsContact O-CA 3.32Å; R637-P657 WeakPolarHBondContact O-CA 3.39Å; P657-T659 PolarHBondContact O-N 3.01Å |
| 658 | I | 76.1 | Confident | 67.5 | Low | 31 Ų | 31 | 63.1 Ų | 63.1 | 16% | 0.159 | 41% | 0.408 | C | S | . | . | trans | -74.5 | 92.3 | 169.5 | -55.1 | 173.8 | 0 | 0 | 0 | 107.6 | I571 L630 C636 R637 V639 | I571-I658 HydrophobicContact CD1-CG1 3.81Å; L630-I658 HydrophobicContact CD1-CD1 4.49Å; L630-I658 HydrophobicContact CD2-CD1 4.44Å; C636-I658 HydrophobicContact CB-CD1 4.14Å; R637-I658 PolarHBondContact O-N 2.84Å; V639-I658 HydrophobicContact CG2-CD1 3.81Å; V639-I658 HydrophobicContact CG2-CG1 3.86Å | ||
| 659 | T | 65.6 | Low | 65.4 | Low | 74 Ų | 74 | 66.3 Ų | 66.3 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | trans | -56.5 | 128.7 | -179 | -34.6 | 0 | 0 | 0 | 0 | 110.6 | P657 A661 L662 | P657-T659 PolarHBondContact O-N 3.01Å; T659-A661 HydrophobicContact CG2-CB 4.16Å; T659-A661 PolarHBondContact O-N 3.31Å; T659-L662 WeakPolarHBondContact O-CB 3.48Å; T659-L662 PolarHBondContact O-N 3.08Å | ||
| 660 | P | 55.3 | Low | 63.1 | Low | 112 Ų | 112 | 76.2 Ų | 76.2 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -57.8 | -16.8 | 177.5 | -27.8 | 35.8 | 0 | 0 | 0 | 114.5 | L662 A663 | P660-L662 PolarHBondContact O-N 3.43Å; P660-A663 VanDerWaalsContact O-CB 3.23Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 2.92Å |
| 661 | A | 48.6 | Very low | 60.3 | Low | 79 Ų | 79 | 82.2 Ų | 82.2 | 65% | 0.653 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -67.4 | -13.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T659 P664 | T659-A661 HydrophobicContact CG2-CB 4.16Å; T659-A661 PolarHBondContact O-N 3.31Å; A661-P664 WeakPolarHBondContact O-CD 3.44Å |
| 662 | L | 53.8 | Low | 57.7 | Low | 26 Ų | 26 | 84.5 Ų | 84.5 | 14% | 0.136 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -83.4 | -14.7 | 172.1 | -61 | 171.6 | 0 | 0 | 0 | 112.4 | I571 P573 L580 T659 P660 | I571-L662 HydrophobicContact CB-CD1 4.39Å; I571-L662 HydrophobicContact CG2-CD1 3.81Å; P573-L662 HydrophobicContact CG-CD2 3.69Å; L580-L662 HydrophobicContact CD2-CB 4.32Å; L580-L662 HydrophobicContact CD2-CD1 4.19Å; L580-L662 HydrophobicContact CD2-CD2 4.49Å; T659-L662 WeakPolarHBondContact O-CB 3.48Å; T659-L662 PolarHBondContact O-N 3.08Å; P660-L662 PolarHBondContact O-N 3.43Å |
| 663 | A | 49.4 | Very low | 54.8 | Low | 53 Ų | 53 | 85.8 Ų | 85.8 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -68.9 | -16.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | P660 A665 S666 | P660-A663 VanDerWaalsContact O-CB 3.23Å; P660-A663 WeakPolarHBondContact O-CB 3.44Å; P660-A663 PolarHBondContact O-N 2.92Å; A663-A665 PolarHBondContact O-N 2.88Å; A663-S666 PolarHBondContact O-N 2.75Å; A663-S666 PolarHBondContact O-OG 3.02Å |
| 664 | P | 48.9 | Very low | 52 | Low | 97 Ų | 97 | 91.4 Ų | 91.4 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -59.8 | -18.6 | 177.6 | -23.6 | 33.7 | 0 | 0 | 0 | 114.1 | A661 S666 | A661-P664 WeakPolarHBondContact O-CD 3.44Å; P664-S666 PolarHBondContact O-N 2.76Å |
| 665 | A | 44.7 | Very low | 49.2 | Very low | 39 Ų | 39 | 90.1 Ų | 90.1 | 32% | 0.322 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -71.6 | -9.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P577 L627 A663 | P577-A665 HydrophobicContact CB-CB 4.37Å; L627-A665 HydrophobicContact CD1-CB 4.2Å; A663-A665 PolarHBondContact O-N 2.88Å |
| 666 | S | 41.1 | Very low | 46.8 | Very low | 55 Ų | 55 | 93.1 Ų | 93.1 | 39% | 0.385 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -96.5 | 12.9 | -177.3 | 76.7 | 0 | 0 | 0 | 0 | 115 | A663 P664 | A663-S666 PolarHBondContact O-N 2.75Å; A663-S666 PolarHBondContact O-OG 3.02Å; P664-S666 PolarHBondContact O-N 2.76Å |
| 667 | L | 40.8 | Very low | 44 | Very low | 141 Ų | 141 | 100.9 Ų | 100.9 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -97.6 | 125.8 | 170.8 | -72.5 | 174.5 | 0 | 0 | 0 | 110.4 | A669 | L667-A669 PolarHBondContact O-N 3.34Å; L667-A669 VanDerWaalsContact O-N 3.12Å |
| 668 | P | 37.1 | Very low | 41.7 | Very low | 120 Ų | 120 | 103 Ų | 103 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 117.7 | 175.3 | 26.1 | -32.8 | 0 | 0 | 0 | 109.6 | R670 | P668-R670 PolarHBondContact O-N 2.93Å; P668-R670 VanDerWaalsContact O-N 3.1Å |
| 669 | A | 31.8 | Very low | 39.2 | Very low | 95 Ų | 95 | 106.1 Ų | 106.1 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 117.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110 | L667 V671 | L667-A669 PolarHBondContact O-N 3.34Å; L667-A669 VanDerWaalsContact O-N 3.12Å; A669-V671 PolarHBondContact O-N 3.26Å |
| 670 | R | 37.2 | Very low | 38.3 | Very low | 240 Ų | 240 | 107.7 Ų | 107.7 | 91% | 0.906 | 67% | 0.673 | S | S | * | * | trans | -62.4 | 113.7 | 169.7 | -86 | -173.2 | 163.8 | -142.4 | -2.8 | 108.5 | P668 S672 | P668-R670 PolarHBondContact O-N 2.93Å; P668-R670 VanDerWaalsContact O-N 3.1Å; R670-S672 PolarHBondContact O-N 3.21Å; R670-S672 VanDerWaalsContact O-N 3.12Å | ||
| 671 | V | 30.7 | Very low | 37 | Very low | 130 Ų | 130 | 111 Ų | 111 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | trans | -56.2 | 116.2 | 175.6 | -178 | 0 | 0 | 0 | 0 | 109.5 | A669 C673 | A669-V671 PolarHBondContact O-N 3.26Å; V671-C673 VanDerWaalsContact CG1-SG 3.57Å | ||
| 672 | S | 29.1 | Very low | 36.1 | Very low | 113 Ų | 113 | 111.2 Ų | 111.2 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | trans | -117 | 100.7 | 164.7 | -167.9 | 0 | 0 | 0 | 0 | 107.6 | R670 | R670-S672 PolarHBondContact O-N 3.21Å; R670-S672 VanDerWaalsContact O-N 3.12Å | ||
| 673 | C | 26.9 | Very low | 34.8 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | trans | -74.3 | 131.4 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 110.4 | V671 | V671-C673 VanDerWaalsContact CG1-SG 3.57Š| ||
| 674 | P | 31.7 | Very low | 33.7 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | trans | -78.2 | 154.7 | 163.7 | 33.3 | -32.7 | 0 | 0 | 0 | 110.5 | ||||
| 675 | S | 29.2 | Very low | 33.2 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -145.4 | 145.2 | 165.3 | -70.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 676 | P | 36.4 | Very low | 32.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -83.7 | 151.5 | -147.6 | 31.2 | -37 | 0 | 0 | 0 | 114.8 | ||||
| 677 | H | 27.2 | Very low | 31.6 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -63.7 | 161.5 | 162.3 | -60 | -78.4 | 0 | 0 | 0 | 110.9 | ||||
| 678 | P | 34.7 | Very low | 30.8 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | -127.1 | 141 | 83.5 | 28.5 | -15.5 | 0 | 0 | 0 | 114.7 | |||||
| 679 | S | 23.8 | Very low | 30.4 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -65 | 174.3 | 158.4 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 680 | P | 46.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -144.5 | 173.8 | 21.8 | 33.5 | -9 | 0 | 0 | 0 | 118.2 | ||||
| 681 | E | 28 | Very low | 30.6 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 140.7 | 122.7 | 131 | -72 | -155 | 98.7 | 0 | 0 | 116.2 | ||||
| 682 | A | 28.5 | Very low | 30.5 | Very low | 83 Ų | 83 | 122.3 Ų | 122.3 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | 70.2 | 99 | 138.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 683 | R | 27.4 | Very low | 31.2 | Very low | 244 Ų | 244 | 123.7 Ų | 123.7 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | 68.8 | 115.7 | 129.7 | -65 | -175.7 | 174.4 | -177.2 | -1.6 | 119.9 | |||||
| 684 | A | 25 | Very low | 31.2 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -63.2 | 163.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 685 | P | 40.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | -152.1 | 157.1 | 80.7 | 37.9 | -18.3 | 0 | 0 | 0 | 118.5 | |||||
| 686 | L | 26 | Very low | 31.6 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 65.8 | 131.1 | 140.7 | -70 | 166.3 | 0 | 0 | 0 | 122.9 | ||||
| 687 | A | 25.3 | Very low | 31.2 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 65.5 | 157 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 688 | S | 24.7 | Very low | 31.1 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | cis | -175.6 | 132.7 | -22.4 | 51.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 689 | A | 26.9 | Very low | 32 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -175.7 | 120.6 | 156 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 690 | S | 30.9 | Very low | 32.2 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -97.3 | 167.7 | 142.6 | -49.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 691 | P | 44.3 | Very low | 31.3 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | -138.9 | 171.1 | 77.9 | 25 | -2.8 | 0 | 0 | 0 | 114.7 | |||||
| 692 | G | 26.7 | Very low | 31.1 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -79.9 | -140.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 693 | P | 43.7 | Very low | 31.2 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | cis | -133.4 | -178.6 | 12.3 | 41.9 | -24.8 | 0 | 0 | 0 | 115.4 | ||||
| 694 | G | 28.5 | Very low | 31.4 | Very low | 81 Ų | 81 | 122.1 Ų | 122.1 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 161.3 | 99.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 695 | D | 25.7 | Very low | 32.7 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -82.2 | -179.9 | 166.9 | -88.5 | -37.8 | 0 | 0 | 0 | 112.3 | ||||
| 696 | P | 43.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | cis | -141.9 | -177.2 | -36.6 | 39.5 | -21.7 | 0 | 0 | 0 | 115.2 | ||||
| 697 | S | 26.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 73.1 | 146.7 | 145.6 | -65.9 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 698 | S | 27 | Very low | 32.9 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -87.5 | -161.2 | -178.3 | -18.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 699 | P | 51.9 | Low | 33.1 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | cis | -140.1 | -168.3 | -38.9 | 37.1 | -16.5 | 0 | 0 | 0 | 115.3 | ||||
| 700 | L | 29.6 | Very low | 33 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | 73.5 | 134.9 | 154.2 | -63 | 173.2 | 0 | 0 | 0 | 123.2 | ||||
| 701 | Q | 26.4 | Very low | 34.2 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | 172.8 | 131.3 | 110.1 | -92.6 | 167.5 | 87.7 | 0 | 0 | 118.5 | |||||
| 702 | H | 24.2 | Very low | 34.5 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | 26.6 | 126.3 | 143.2 | -93.4 | -103.9 | 0 | 0 | 0 | 128.2 | ||||
| 703 | L | 31.1 | Very low | 34.7 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 31.9 | 115 | 134.1 | -61.1 | 178.1 | 0 | 0 | 0 | 126.1 | ||||
| 704 | A | 31.1 | Very low | 34.3 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | 48.9 | 171 | 124 | 0 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 705 | P | 53.2 | Low | 35 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | cis | -141.8 | 170.1 | -6.2 | 41.8 | -22.7 | 0 | 0 | 0 | 120.2 | ||||
| 706 | L | 33.9 | Very low | 35.9 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | 76.9 | 137.1 | 144.9 | -110.1 | 89.7 | 0 | 0 | 0 | 127.5 | ||||
| 707 | G | 28.6 | Very low | 35.2 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 162.3 | 78.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 708 | T | 32.3 | Very low | 35.9 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 40.7 | 141.6 | 144.1 | -14.2 | 0 | 0 | 0 | 0 | 129.2 | ||||
| 709 | Q | 28.9 | Very low | 36.5 | Very low | 192 Ų | 192 | 128.3 Ų | 128.3 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 108.6 | 159.5 | 153.3 | -67.2 | -141.1 | 52.8 | 0 | 0 | 121.8 | ||||
| 710 | E | 24.1 | Very low | 35.2 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -132.2 | -168.8 | -137.4 | -139.6 | -129.8 | 152.8 | 0 | 0 | 114.8 | ||||
| 711 | P | 57.4 | Low | 35.1 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 58% | 0.584 | 80% | 0.801 | S | S | * | * | -117.6 | -149.5 | -79.2 | 47.7 | -33.5 | 0 | 0 | 0 | 113.6 | |||||
| 712 | P | 50.9 | Low | 34.9 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -138.5 | 159 | -11.3 | 38.4 | -18.7 | 0 | 0 | 0 | 120.4 | ||||
| 713 | G | 29.3 | Very low | 34.9 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 93.7 | 136.4 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 714 | A | 35.7 | Very low | 34.5 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | cis | -164.4 | 159.5 | -17.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 715 | P | 43.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | cis | -135.2 | -135.5 | 31.5 | 42 | -19.6 | 0 | 0 | 0 | 111.6 | ||||
| 716 | P | 44.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | -113 | 164 | -55.5 | 37.5 | -24.5 | 0 | 0 | 0 | 113.5 | |||||
| 717 | A | 29.5 | Very low | 32.3 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -165.1 | 151.7 | 162 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 718 | S | 39.9 | Very low | 32.1 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -77.9 | 142.7 | 168.9 | -41.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 719 | P | 39.8 | Very low | 31.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -150.3 | 158 | 157.5 | 40 | -22.7 | 0 | 0 | 0 | 118 | ||||
| 720 | S | 25.1 | Very low | 31.8 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 71.4 | 124.2 | 131.4 | -71.7 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 721 | R | 27 | Very low | 32.8 | Very low | 219 Ų | 219 | 127.1 Ų | 127.1 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | 83.4 | 121.1 | 117 | -163.8 | 178.9 | -172 | -155.7 | 1.1 | 121.9 | |||||
| 722 | E | 23.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | trans | 22.9 | 121.9 | 133.2 | -121.1 | -177.6 | 138.7 | 0 | 0 | 122 | ||||
| 723 | M | 23.7 | Very low | 31 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | 53.8 | 109.5 | 139.7 | -86.8 | -170.8 | 166.8 | 0 | 0 | 122.9 | ||||
| 724 | A | 23 | Very low | 31.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | 110.8 | 133.4 | 105.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 725 | K | 21.9 | Very low | 30.8 | Very low | 218 Ų | 218 | 129 Ų | 129 | 95% | 0.948 | 77% | 0.77 | S | S | * | * | trans | 62.9 | 129.7 | 171.2 | -62.8 | 178.6 | 174.8 | -179.3 | 0 | 114.5 | ||||
| 726 | G | 23.4 | Very low | 30 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | 144.9 | 160.4 | 24.1 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 727 | S | 25.6 | Very low | 29 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | cis | -173.3 | 177.6 | 10.6 | 40.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 728 | H | 25.6 | Very low | 28.8 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | 72.9 | 141.4 | -179.3 | -73.7 | -107.4 | 0 | 0 | 0 | 116 | ||||
| 729 | E | 25.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -179.9 | 169.5 | -16 | -109.7 | 175.5 | 173.8 | 0 | 0 | 104.4 | ||||
| 730 | D | 29 | Very low | 27.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | cis | -171.3 | -167.4 | -44.8 | -149.9 | 38.6 | 0 | 0 | 0 | 104.4 | ||||
| 731 | P | 45.4 | Very low | 27.3 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | -125.6 | -153 | -20.9 | 47 | -30.8 | 0 | 0 | 0 | 110.1 | ||||
| 732 | P | 46.4 | Very low | 27 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | -126.2 | 173.1 | -24.3 | 28.2 | -7.3 | 0 | 0 | 0 | 114.7 | ||||
| 733 | A | 23.2 | Very low | 27 | Very low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | -101.5 | -154.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 734 | P | 40.6 | Very low | 27 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -147.9 | -174.7 | 10.4 | 46.4 | -26 | 0 | 0 | 0 | 118.6 | ||||
| 735 | C | 19.9 | Very low | 27 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | 72.8 | 164.5 | 152.6 | -66.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 736 | S | 27.5 | Very low | 27.1 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | 165.9 | 139.6 | -47.9 | -89.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 737 | Q | 25.1 | Very low | 27.1 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 80.4 | 138 | 144.7 | -137.8 | 167.4 | -52 | 0 | 0 | 123.6 | ||||
| 738 | E | 23.5 | Very low | 26.9 | Very low | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 79.7 | 128 | 143.9 | -99.4 | 166.9 | 148.9 | 0 | 0 | 127.1 | ||||
| 739 | E | 25.3 | Very low | 26.8 | Very low | 171 Ų | 171 | 120.7 Ų | 120.7 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | 48.6 | 137.9 | 141.8 | -87.6 | -158 | 128.3 | 0 | 0 | 127.2 | ||||
| 740 | A | 24.3 | Very low | 26.7 | Very low | 102 Ų | 102 | 120 Ų | 120 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 69.1 | 144.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 741 | G | 23.7 | Very low | 26.5 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | 135.3 | 114.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 742 | A | 21.9 | Very low | 25.3 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 160.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 743 | A | 23.3 | Very low | 24.1 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 76.2 | 123.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 744 | V | 22.9 | Very low | 24.2 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | 83.6 | 130 | 125.4 | 169.4 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 745 | L | 23.6 | Very low | 23.2 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | 65.5 | 142.5 | 174.6 | -62.2 | 159.4 | 0 | 0 | 0 | 115 | ||||
| 746 | G | 23.1 | Very low | 23.3 | Very low | 53 Ų | 53 | 124.8 Ų | 124.8 | 55% | 0.546 | 76% | 0.761 | S | S | . | * | cis | 130 | 146.8 | 10 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 747 | T | 23.1 | Very low | 23.2 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 158.8 | -172.7 | 75.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 748 | S | 22.6 | Very low | 23.2 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 56% | 0.559 | 77% | 0.768 | S | S | * | * | cis | 165.5 | 149.9 | -31.1 | -169.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 749 | E | 23.8 | Very low | 23.2 | Very low | 166 Ų | 166 | 122 Ų | 122 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 63.1 | 154.2 | 155.6 | -80 | 150.5 | 141.1 | 0 | 0 | 117.5 | ||||
| 750 | E | 22 | Very low | 23.2 | Very low | 149 Ų | 149 | 122.9 Ų | 122.9 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | cis | -161.9 | 174 | -13.3 | -171 | -166.8 | 83.3 | 0 | 0 | 106.2 | ||||
| 751 | R | 24.6 | Very low | 23.1 | Very low | 203 Ų | 203 | 128 Ų | 128 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | 116.5 | 98.4 | 127 | -142.3 | 166 | -175.7 | -165.1 | -1 | 119.4 | |||||
| 752 | T | 21.1 | Very low | 23.1 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 116.7 | 136.6 | 61.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 753 | A | 21.2 | Very low | 23.8 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | 66.4 | 120.2 | 119.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 754 | S | 25.2 | Very low | 23.8 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | -153.5 | 137.9 | 120.1 | -82 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 755 | T | 20.4 | Very low | 24.7 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -80.4 | 154.9 | 172.5 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 756 | S | 21.6 | Very low | 24.6 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | 169.1 | 119.4 | 127.5 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 757 | T | 24.1 | Very low | 24.6 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 54.2 | 153.4 | 135 | 65 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 758 | L | 25.2 | Very low | 25.4 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | cis | -163.1 | 155.9 | 4.7 | -152.6 | 54.3 | 0 | 0 | 0 | 105.7 | ||||
| 759 | G | 23.8 | Very low | 25.5 | Very low | 65 Ų | 65 | 128.8 Ų | 128.8 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | -174.7 | -175.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 760 | E | 25 | Very low | 25.5 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -70.2 | 161.3 | -170.6 | -56.7 | 146.9 | 61.1 | 0 | 0 | 115.6 | ||||
| 761 | K | 22.8 | Very low | 25.7 | Very low | 210 Ų | 210 | 126.9 Ų | 126.9 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | -159.3 | 112.1 | 113.2 | -155.7 | 156.1 | -173.8 | 178.7 | 0 | 114.8 | |||||
| 762 | D | 24.2 | Very low | 25.6 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -85 | 175.7 | 161.4 | -125 | -29.6 | 0 | 0 | 0 | 109.8 | ||||
| 763 | P | 36.8 | Very low | 25.7 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -143.9 | 172.6 | 41 | 40.3 | -19.2 | 0 | 0 | 0 | 118.1 | ||||
| 764 | G | 23.1 | Very low | 25.8 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | -72.7 | -152.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 765 | P | 40.7 | Very low | 25.9 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -144.7 | 176.4 | 27.4 | 43.8 | -24.7 | 0 | 0 | 0 | 118.2 | ||||
| 766 | A | 22.5 | Very low | 26.1 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 59.1 | 140.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 767 | A | 23.9 | Very low | 26.1 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -81.7 | -165.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 768 | P | 40 | Very low | 26.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -147.2 | -170.2 | 6.8 | 43.8 | -22 | 0 | 0 | 0 | 118 | ||||
| 769 | S | 23.4 | Very low | 26.1 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 75.8 | 110.6 | 146.5 | -58.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 770 | L | 24.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 133.3 Ų | 133.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | 49.7 | 109.8 | 122.3 | -159.3 | 91.8 | 0 | 0 | 0 | 121.5 | |||||
| 771 | A | 24.9 | Very low | 26 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | -179.6 | 157.5 | 127.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 772 | K | 24.3 | Very low | 25.9 | Very low | 200 Ų | 200 | 127.5 Ų | 127.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 157.3 | 177.3 | -61.7 | 165.5 | 174 | 176.4 | 0 | 112.9 | ||||
| 773 | Q | 23.5 | Very low | 26 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | 159.1 | 139.3 | 98.3 | -173.4 | 158.7 | 0.4 | 0 | 0 | 113.9 | |||||
| 774 | E | 22.4 | Very low | 26.1 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 54.6 | 127.9 | 161.5 | -74.2 | 147.3 | -164.8 | 0 | 0 | 120.2 | ||||
| 775 | A | 28.2 | Very low | 26.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | cis | 91.6 | 106.6 | 31.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 776 | E | 22.6 | Very low | 25.3 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -158.2 | 101.5 | 172.7 | -168.1 | 86.8 | -114.1 | 0 | 0 | 111.6 | ||||
| 777 | W | 23 | Very low | 25.3 | Very low | 209 Ų | 209 | 128.7 Ų | 128.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | 53.7 | 136.4 | 152.4 | -54.2 | 73.8 | 0 | 0 | 0 | 121 | ||||
| 778 | T | 23.3 | Very low | 25.4 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | cis | 66.4 | 144 | 45.3 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 779 | A | 24.6 | Very low | 24.8 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | cis | -161.1 | 179.2 | 10 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 780 | G | 24.2 | Very low | 25 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 93.5 | 155.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 781 | E | 22.9 | Very low | 25.1 | Very low | 195 Ų | 195 | 128.8 Ų | 128.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | cis | -169.1 | 162.7 | -11.7 | -94.4 | -153.9 | 87.5 | 0 | 0 | 107 | ||||
| 782 | A | 22.2 | Very low | 25.2 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -165.8 | 171.5 | -15.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 783 | C | 25.8 | Very low | 25.2 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -81.3 | 166.9 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 784 | P | 38 | Very low | 25.3 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | -136.3 | 166.8 | 114.9 | 37.1 | -26.9 | 0 | 0 | 0 | 116.1 | |||||
| 785 | A | 23.4 | Very low | 25.4 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 170.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 786 | S | 22.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | -160 | 169.9 | 40.1 | -47.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 787 | S | 23.9 | Very low | 25.5 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -165.8 | 150.2 | 28.8 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 788 | S | 25.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 48 | 114.8 | 152.8 | -139.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 789 | T | 28.2 | Very low | 26.3 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | 56.7 | 132.1 | 52.9 | -22.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 790 | Q | 26.8 | Very low | 26.5 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | cis | -137.6 | 168.3 | 21.6 | -64.2 | 162.8 | -74.9 | 0 | 0 | 110 | ||||
| 791 | G | 26.3 | Very low | 26.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | 166.2 | 138 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 792 | A | 27.3 | Very low | 26.5 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -93.8 | 154.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 793 | R | 24.7 | Very low | 26.6 | Very low | 240 Ų | 240 | 129.7 Ų | 129.7 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -167.5 | 122.7 | 140.4 | -105.6 | 179.9 | 164.2 | -177.5 | -6.8 | 106.7 | ||||
| 794 | A | 25.4 | Very low | 26.6 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | 62.6 | 136.8 | 55.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 795 | Q | 25.3 | Very low | 25.9 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -168 | 170.7 | 2.9 | -121.8 | 166.9 | 32.1 | 0 | 0 | 108.4 | ||||
| 796 | Q | 22.8 | Very low | 26 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 74.6 | 140.5 | 157.8 | -71.2 | 167.5 | -22.6 | 0 | 0 | 120.7 | ||||
| 797 | A | 29.4 | Very low | 26.2 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -85.5 | -168.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 798 | P | 40.2 | Very low | 27 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -140.8 | -177.5 | 6.8 | 42.1 | -21.6 | 0 | 0 | 0 | 117.2 | ||||
| 799 | N | 23.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | trans | 41 | 119 | 151.9 | -66.5 | -14.3 | 0 | 0 | 0 | 122.9 | ||||
| 800 | T | 28.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | 51.2 | 113.1 | 126.1 | -32.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 801 | E | 25.8 | Very low | 27.2 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | 174.2 | 139.3 | 115.6 | -97.4 | -163.2 | 119.3 | 0 | 0 | 115.9 | |||||
| 802 | M | 21.1 | Very low | 27.4 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | 63 | 112.2 | 135.1 | -144.8 | 61.7 | 169.2 | 0 | 0 | 124.8 | ||||
| 803 | C | 25.6 | Very low | 27.4 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | 56.8 | 118.5 | 140.3 | -69.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 804 | Q | 24.5 | Very low | 28.3 | Very low | 205 Ų | 205 | 129.5 Ų | 129.5 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | -174.4 | 139.8 | 111.7 | -96.1 | 163.2 | 66.3 | 0 | 0 | 106.4 | |||||
| 805 | G | 23.2 | Very low | 28.5 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | cis | 146.1 | 111.4 | 10.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 806 | G | 25.8 | Very low | 28.9 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 172.8 | 95.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 807 | D | 27 | Very low | 29.2 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 166.1 | 163.1 | -154.7 | 44.3 | 0 | 0 | 0 | 110.4 | ||||
| 808 | P | 41.9 | Very low | 29.3 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -129.1 | 172 | 14.3 | 41.8 | -25.1 | 0 | 0 | 0 | 116.1 | ||||
| 809 | G | 27.7 | Very low | 28.9 | Very low | 54 Ų | 54 | 139.6 Ų | 139.6 | 56% | 0.557 | 79% | 0.791 | S | S | * | * | cis | 163.4 | 142.2 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 810 | S | 28.7 | Very low | 29.5 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | 58.8 | 139 | 167.2 | -59.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 811 | G | 27.9 | Very low | 29.6 | Very low | 68 Ų | 68 | 139.5 Ų | 139.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | cis | 133.3 | 155.7 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 812 | L | 29.7 | Very low | 30 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | 169.1 | 146.2 | -8.7 | -111.9 | 176.6 | 0 | 0 | 0 | 106.6 | ||||
| 813 | R | 26.9 | Very low | 30.6 | Very low | 226 Ų | 226 | 136.6 Ų | 136.6 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 75.3 | 175.2 | 160 | -55 | -81 | -151.5 | -171.8 | 5.9 | 119.2 | ||||
| 814 | P | 44.5 | Very low | 31 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | -143.1 | 173.7 | -57.8 | 43.2 | -26.8 | 0 | 0 | 0 | 117.3 | |||||
| 815 | R | 28 | Very low | 31.2 | Very low | 239 Ų | 239 | 133.7 Ų | 133.7 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | 48.7 | 115.5 | 139.6 | -169.5 | 175.9 | -176 | -175.9 | 3.8 | 123.9 | ||||
| 816 | A | 34.9 | Very low | 31.7 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 79.3 | 153.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 817 | E | 28.2 | Very low | 31.8 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 88.5 | 111 | 159.7 | -64.8 | -167.7 | 157.5 | 0 | 0 | 123.4 | ||||
| 818 | K | 33 | Very low | 32 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 57.5 | 128.2 | 129.1 | -88.8 | -177.3 | 158.5 | -120.5 | 0 | 125.6 | |||||
| 819 | E | 31.1 | Very low | 31.2 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 86.1 | 88.7 | 124.7 | -149.2 | 164.4 | 160.5 | 0 | 0 | 122.1 | |||||
| 820 | D | 36 | Very low | 31.1 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | 74.5 | 143 | 122.1 | -133.1 | 3.7 | 0 | 0 | 0 | 126.3 | |||||
| 821 | T | 30.1 | Very low | 31 | Very low | 123 Ų | 123 | 144 Ų | 144 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 109.9 | 132.7 | 151.3 | 67.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 822 | A | 33.3 | Very low | 30.9 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 63 | 120 | 159.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 823 | E | 35.5 | Very low | 31.1 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | cis | 95.8 | 114.2 | 27.8 | -157.9 | -171.9 | -125.9 | 0 | 0 | 116 | ||||
| 824 | L | 33.6 | Very low | 31.1 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | 141.7 | 134.2 | 142.3 | -76.9 | 174.8 | 0 | 0 | 0 | 115.5 | ||||
| 825 | G | 28 | Very low | 30.2 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 129.6 | 133.8 | 161 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 826 | V | 33.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | trans | -138.2 | 153.4 | -162.8 | -155.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 827 | H | 28.9 | Very low | 30.6 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | 97.3 | 95.9 | 156.3 | -62.9 | -66.4 | 0 | 0 | 0 | 122.5 | ||||
| 828 | L | 29.6 | Very low | 30.5 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | 71.2 | 132.4 | 120.1 | -146.4 | 75.7 | 0 | 0 | 0 | 123.7 | |||||
| 829 | V | 25.5 | Very low | 30.7 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | 109.6 | 106.7 | 155.5 | -172.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 830 | N | 26 | Very low | 30.9 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 59.6 | 132.9 | 151.2 | -67 | 4.2 | 0 | 0 | 0 | 124.4 | ||||
| 831 | S | 25.7 | Very low | 30.9 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 66.3 | 123.7 | 161.2 | -65.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 832 | L | 27.7 | Very low | 31.2 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | 174.9 | 151.7 | 117.6 | -173.9 | 56.9 | 0 | 0 | 0 | 110.4 | |||||
| 833 | V | 33.1 | Very low | 31.4 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | trans | -87.5 | 115.6 | 164.7 | 171.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 834 | D | 26.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | -165.2 | 153.8 | 132.7 | -130.3 | -32.3 | 0 | 0 | 0 | 114.6 | ||||
| 835 | H | 27.2 | Very low | 31.5 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 65.7 | 138.4 | 163.7 | -63.7 | 9.6 | 0 | 0 | 0 | 119.3 | ||||
| 836 | G | 28.6 | Very low | 32 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | trans | -138.6 | -147.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 837 | R | 41.2 | Very low | 31.9 | Very low | 249 Ų | 249 | 144.8 Ų | 144.8 | 94% | 0.94 | 77% | 0.771 | S | S | * | * | trans | 79.3 | 116.7 | -169.1 | -53.8 | 176.4 | 172.7 | -166 | -6.1 | 110.7 | ||||
| 838 | N | 26 | Very low | 32.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | -140.1 | 149.5 | 54.2 | 59.6 | -20.5 | 0 | 0 | 0 | 111.1 | |||||
| 839 | S | 37 | Very low | 33 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | 63 | 124.6 | 31.8 | -77.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 840 | D | 36.4 | Very low | 33.5 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | cis | -140.7 | 155.9 | 12.8 | -81.6 | -31 | 0 | 0 | 0 | 108.7 | ||||
| 841 | L | 35.1 | Very low | 33.9 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | 55.5 | 139.8 | 68.1 | -45.4 | 176.3 | 0 | 0 | 0 | 111.7 | |||||
| 842 | S | 36 | Very low | 34.4 | Very low | 91 Ų | 91 | 154.2 Ų | 154.2 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -160.3 | 145.9 | 32.2 | -99.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 843 | D | 39.4 | Very low | 34.5 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | 72.7 | 164.2 | 88.8 | -53.5 | -54.7 | 0 | 0 | 0 | 116.1 | |||||
| 844 | I | 34.3 | Very low | 34.5 | Very low | 152 Ų | 152 | 158.2 Ų | 158.2 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | 88 | 99.4 | -178.5 | -53 | 162.3 | 0 | 0 | 0 | 110.7 | ||||
| 845 | Q | 35.8 | Very low | 34.6 | Very low | 165 Ų | 165 | 161.2 Ų | 161.2 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | 67.7 | 139.4 | 68.4 | -71.6 | -170.6 | -66.8 | 0 | 0 | 113.8 | |||||
| 846 | E | 38.1 | Very low | 34.8 | Very low | 173 Ų | 173 | 161.4 Ų | 161.4 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 61 | 97.9 | 169.8 | -62.8 | 168.8 | -165.5 | 0 | 0 | 115.9 | ||||
| 847 | E | 32.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 166.9 Ų | 166.9 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | -138.2 | 123 | 125.7 | -67.4 | -163.9 | 136.1 | 0 | 0 | 107.9 | |||||
| 848 | E | 44.1 | Very low | 34.3 | Very low | 197 Ų | 197 | 162.5 Ų | 162.5 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -79 | 116.2 | 160.5 | -65 | 172.4 | 137.6 | 0 | 0 | 106.1 | ||||
| 849 | E | 36.4 | Very low | 34.4 | Very low | 171 Ų | 171 | 162.6 Ų | 162.6 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -124.4 | 111 | 165.4 | -71.8 | -162.7 | 141.7 | 0 | 0 | 109.6 | ||||
| 850 | E | 36.7 | Very low | 33.9 | Very low | 188 Ų | 188 | 161.6 Ų | 161.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -65.4 | 136.7 | 151.3 | -60.8 | 179.6 | 147.4 | 0 | 0 | 108.5 | ||||
| 851 | E | 34.5 | Very low | 33.8 | Very low | 186 Ų | 186 | 161.3 Ų | 161.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | 180 | 103.2 | 141.8 | -100 | 171.5 | -159.2 | 0 | 0 | 104.1 | ||||
| 852 | E | 35.4 | Very low | 33.5 | Very low | 178 Ų | 178 | 165.4 Ų | 165.4 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | 40.2 | 97.9 | 85.4 | -73 | -163.4 | -177.7 | 0 | 0 | 112.7 | |||||
| 853 | E | 30.2 | Very low | 32.9 | Very low | 199 Ų | 199 | 167.4 Ų | 167.4 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | -135.6 | 118.4 | 119.3 | -76.9 | -157.1 | 149.9 | 0 | 0 | 108.9 | |||||
| 854 | E | 32.9 | Very low | 32.1 | Very low | 182 Ų | 182 | 166.3 Ų | 166.3 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -70.2 | 144.8 | 155.7 | -55.1 | 178.4 | 134.4 | 0 | 0 | 108 | ||||
| 855 | E | 29.5 | Very low | 31.7 | Very low | 190 Ų | 190 | 164.4 Ų | 164.4 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | -162.1 | 127.8 | 121.6 | -110.6 | -179.5 | -158.8 | 0 | 0 | 112.5 | |||||
| 856 | E | 29.9 | Very low | 31.3 | Very low | 175 Ų | 175 | 164.6 Ų | 164.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -2.1 | 136.7 | 160.8 | -55.2 | -171.1 | 151.2 | 0 | 0 | 121.9 | ||||
| 857 | E | 29.8 | Very low | 30.8 | Very low | 181 Ų | 181 | 162.5 Ų | 162.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | 21.4 | 130.1 | 124.2 | -51.8 | -160.7 | 166.3 | 0 | 0 | 120 | |||||
| 858 | E | 30 | Very low | 30.8 | Very low | 157 Ų | 157 | 161.4 Ų | 161.4 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | -176.1 | 144.4 | 98.4 | -103.6 | -157.2 | 123.6 | 0 | 0 | 113 | |||||
| 859 | L | 27.8 | Very low | 30 | Very low | 153 Ų | 153 | 159.8 Ų | 159.8 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | 45.3 | 136.2 | 143.3 | -57.7 | 179.8 | 0 | 0 | 0 | 122.2 | ||||
| 860 | G | 26.2 | Very low | 29.7 | Very low | 71 Ų | 71 | 158.2 Ų | 158.2 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | 128.6 | 87.6 | 119 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 861 | S | 34.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -68.1 | 153.3 | 151.4 | -70.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 862 | R | 28.7 | Very low | 28.8 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | 97.7 | 138.8 | -177.7 | -60.5 | 171.7 | 174 | -175.3 | -1.6 | 112.9 | ||||
| 863 | T | 23.9 | Very low | 28.4 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | cis | -154.6 | 171.5 | 15 | -8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 864 | C | 22.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | trans | -69.8 | 178.9 | -173 | -45.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 865 | S | 26.5 | Very low | 28 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 86.7 | 150.5 | 152.8 | 86.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 866 | F | 26.5 | Very low | 27.9 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -163.1 | 154.9 | 5.9 | -145.3 | -145.9 | 0 | 0 | 0 | 113.6 | ||||
| 867 | Q | 28.1 | Very low | 27.8 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | trans | 69.7 | 127.4 | 138.8 | -97.1 | -171.5 | 13.6 | 0 | 0 | 126.6 | ||||
| 868 | K | 31.6 | Very low | 27.7 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | 67.3 | 152.9 | 131.1 | -87.6 | 173.7 | 149.1 | -179.4 | 0 | 119.4 | ||||
| 869 | Q | 28.6 | Very low | 27.5 | Very low | 164 Ų | 164 | 134 Ų | 134 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -155.3 | 172 | 16.8 | -145.4 | 160.8 | 126.1 | 0 | 0 | 114.4 | ||||
| 870 | V | 29 | Very low | 27.9 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -85 | 146.9 | -175.5 | 165.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 871 | A | 27.3 | Very low | 27.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -174.4 | 145.2 | 138.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 872 | G | 25.7 | Very low | 28.3 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | cis | -169.8 | 169.8 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 873 | N | 27.6 | Very low | 28.2 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -89.2 | 155.2 | -164.9 | -58.5 | -20.9 | 0 | 0 | 0 | 115.5 | ||||
| 874 | S | 24.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -161.9 | 90.8 | 136.9 | -156.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 875 | I | 30.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | 1.9 | 140.3 | 114.3 | -79 | 170.5 | 0 | 0 | 0 | 115.1 | |||||
| 876 | R | 27.8 | Very low | 29.2 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | cis | -170 | 165.5 | 7.7 | -114.6 | 179.6 | -171 | -137.4 | 10.3 | 110.2 | ||||
| 877 | E | 26.4 | Very low | 29.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | trans | 39 | 159.7 | 139.5 | -63.7 | -167.3 | 80.1 | 0 | 0 | 122.5 | ||||
| 878 | N | 28.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | cis | -171.6 | 154.1 | -23.8 | -105.9 | -33.5 | 0 | 0 | 0 | 105.3 | ||||
| 879 | G | 25.8 | Very low | 29.8 | Very low | 83 Ų | 83 | 136.3 Ų | 136.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 160.3 | 132.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 880 | A | 35.2 | Very low | 29.7 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -117.1 | 147.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 881 | K | 27.6 | Very low | 29.9 | Very low | 219 Ų | 219 | 133.6 Ų | 133.6 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -177.6 | 168.2 | 131.6 | -112.2 | 179.2 | 175.1 | -179.5 | 0 | 113.6 | ||||
| 882 | A | 41.6 | Very low | 30 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -125.2 | 160.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 883 | T | 28.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | -165.6 | 122.2 | 168.2 | 22.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 884 | E | 31.8 | Very low | 30.2 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | 80.3 | 144.4 | 103.6 | -71.5 | -162.5 | 114.4 | 0 | 0 | 116 | |||||
| 885 | T | 33.3 | Very low | 30.3 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | -167.1 | 161.4 | -1.2 | 16.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 886 | G | 28.3 | Very low | 30.3 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | 164.3 | 89.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 887 | E | 33.4 | Very low | 30.3 | Very low | 200 Ų | 200 | 139.8 Ų | 139.8 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | 12 | 155.2 | 152 | -64.5 | -169.6 | 104.1 | 0 | 0 | 124.4 | ||||
| 888 | A | 34.1 | Very low | 30.3 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | cis | -171.9 | 156.3 | -16.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 889 | R | 31.1 | Very low | 30.9 | Very low | 247 Ų | 247 | 135.4 Ų | 135.4 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | 81 | 121.7 | 145.8 | -148.4 | 175.1 | -164.1 | 179.3 | 4.5 | 122.9 | ||||
| 890 | G | 27.2 | Very low | 30.9 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 178.9 | 94.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 891 | Q | 32.5 | Very low | 30.7 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -27 | 130.3 | 178.2 | -68.8 | 172.2 | -32.1 | 0 | 0 | 120.1 | ||||
| 892 | D | 28.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | 79 | 140.6 | 95.4 | -62.7 | -36.9 | 0 | 0 | 0 | 115.8 | |||||
| 893 | G | 28.7 | Very low | 29.9 | Very low | 61 Ų | 61 | 141.4 Ų | 141.4 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | cis | 165.4 | 147.5 | -7.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 894 | S | 29.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 97% | 0.965 | 80% | 0.797 | S | S | * | * | trans | 61.4 | 165.7 | 172.7 | 78.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 895 | G | 26.9 | Very low | 29.5 | Very low | 70 Ų | 70 | 144.9 Ų | 144.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 164.3 | 132.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 896 | R | 30.6 | Very low | 29.1 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 70 | 146.6 | 168 | -78.2 | -175.9 | 171.8 | -100.6 | 1.1 | 121.9 | ||||
| 897 | R | 27.9 | Very low | 29.2 | Very low | 238 Ų | 238 | 149.1 Ų | 149.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 79.9 | 128.2 | 165.3 | -77.2 | -174.7 | -89.7 | -126.6 | 0.3 | 118.5 | ||||
| 898 | G | 24.5 | Very low | 29 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -92.9 | -154.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 899 | P | 41.4 | Very low | 28.8 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -135.1 | -178.1 | 3.2 | 43.7 | -27.8 | 0 | 0 | 0 | 115.5 | ||||
| 900 | Q | 26.8 | Very low | 28.4 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | trans | 67.7 | 149.3 | 166.5 | -64.4 | -171.1 | 12.5 | 0 | 0 | 116.5 | ||||
| 901 | K | 30 | Very low | 28.5 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 67% | 0.665 | 80% | 0.797 | S | S | * | * | cis | -157 | 152.7 | 4.1 | -124.9 | 161.1 | -176.1 | 158 | 0 | 110.9 | ||||
| 902 | R | 28.9 | Very low | 28.4 | Very low | 243 Ų | 243 | 144.5 Ų | 144.5 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | 8.6 | 138.9 | 164.9 | -64.9 | -177.4 | 175.2 | -166.4 | -2.6 | 120.5 | ||||
| 903 | G | 23.9 | Very low | 28.2 | Very low | 70 Ų | 70 | 146.1 Ų | 146.1 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 172.1 | -151.5 | 3.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 904 | V | 25.1 | Very low | 28.3 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | 85.8 | 134.1 | -175.8 | -177.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 905 | R | 26 | Very low | 28.3 | Very low | 220 Ų | 220 | 151 Ų | 151 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | 62.2 | 95.2 | 176.2 | -72.1 | 170 | -163.8 | -128.7 | 3.2 | 117.6 | ||||
| 906 | V | 26.3 | Very low | 28.6 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -110.6 | 119.6 | 142.6 | 172.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 907 | L | 30.2 | Very low | 28.4 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -90.7 | 128.7 | 162.6 | -98.1 | 69.8 | 0 | 0 | 0 | 108.3 | ||||
| 908 | R | 28.5 | Very low | 28.4 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | 158.2 | 154.2 | 138.8 | -93.4 | -177 | 178.3 | -154.4 | -1.4 | 110.6 | ||||
| 909 | P | 29.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -113.9 | 151.7 | -24.7 | 35.3 | -22.5 | 0 | 0 | 0 | 111.4 | T911 | P909-T911 PolarHBondContact O-N 3.07Š| ||
| 910 | S | 24.6 | Very low | 28.2 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -86 | 111.9 | 177.7 | -166.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 911 | T | 28.2 | Very low | 28.4 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 35.9 | 103.7 | 138.9 | -33.9 | 0 | 0 | 0 | 0 | 118.1 | P909 | P909-T911 PolarHBondContact O-N 3.07Š| ||
| 912 | A | 29.6 | Very low | 28.6 | Very low | 90 Ų | 90 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -81.1 | 140.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 913 | E | 25.4 | Very low | 28.9 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -67.9 | 144.7 | 174.7 | -69.5 | -174.8 | 116.1 | 0 | 0 | 111.2 | ||||
| 914 | L | 30.9 | Very low | 29.6 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -113.9 | 114.9 | 178.9 | -76.3 | 167.5 | 0 | 0 | 0 | 109.3 | ||||
| 915 | V | 28.9 | Very low | 30.6 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 144.6 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 109.4 | ||
| 916 | P | 32.7 | Very low | 31.6 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.8 | 177.2 | -21.6 | 33.8 | 0 | 0 | 0 | 112.6 | ||
| 917 | A | 26.9 | Very low | 32.6 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 129.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 918 | R | 29.2 | Very low | 33.7 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 152.3 | 163.5 | -76.1 | -176.9 | 179.4 | -175.2 | 0.5 | 109.8 | E953 E954 | R918-E953 IonicContact NH2-OE2 2.65Å; R918-E954 IonicContact CZ-OE1 3.43Å; R918-E954 IonicContact NH1-OE1 2.76Å; R918-E954 PolarHBondContact NH1-OE1 3.47Å; R918-E954 IonicContact NH2-OE1 3.39Å; R918-E954 PolarHBondContact NH2-OE1 2.97Å |
| 919 | S | 27.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 67% | 0.671 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 136 | -176.8 | 38.3 | 0 | 0 | 0 | 0 | 113.1 | S921 | S919-S921 VanDerWaalsContact C-N 3.33Å; S919-S921 PolarHBondContact O-N 3.14Å |
| 920 | P | 33 | Very low | 37.4 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 75.2 | -179.7 | 34.4 | -35.3 | 0 | 0 | 0 | 111.2 | ||
| 921 | S | 30.6 | Very low | 40.2 | Very low | 93 Ų | 93 | 117.4 Ų | 117.4 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | -24 | 179.1 | -64.2 | 0 | 0 | 0 | 0 | 114.9 | S919 | S919-S921 VanDerWaalsContact C-N 3.33Å; S919-S921 PolarHBondContact O-N 3.14Å |
| 922 | E | 36 | Very low | 43.1 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 68% | 0.682 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -89.5 | -18.5 | -177.3 | -65.2 | -179.3 | 127.5 | 0 | 0 | 114 | L924 A925 | E922-L924 PolarHBondContact O-N 2.99Å; E922-A925 PolarHBondContact O-N 3.44Å |
| 923 | T | 33.4 | Very low | 46.1 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 67% | 0.669 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -4.8 | -175.8 | -24.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 924 | L | 38.4 | Very low | 49.3 | Very low | 137 Ų | 137 | 100.7 Ų | 100.7 | 72% | 0.717 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -15.2 | 177.5 | -76.4 | 167.3 | 0 | 0 | 0 | 113.9 | E922 | E922-L924 PolarHBondContact O-N 2.99Š|
| 925 | A | 47.1 | Very low | 52.3 | Low | 68 Ų | 68 | 92.6 Ų | 92.6 | 56% | 0.562 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -70.8 | -33 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | E922 | E922-A925 PolarHBondContact O-N 3.44Š|
| 926 | Y | 47.7 | Very low | 55.4 | Low | 78 Ų | 78 | 86.5 Ų | 86.5 | 31% | 0.306 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -90.1 | -2.7 | -168.7 | -57.6 | -72.3 | 0 | 0 | 0 | 115.6 | H928 L929 F967 Q977 | Y926-H928 PolarHBondContact O-N 3.36Å; Y926-H928 VanDerWaalsContact O-N 3.09Å; Y926-L929 HydrophobicContact CD1-CD1 3.75Å; Y926-L929 HydrophobicContact CE1-CD1 4.26Å; Y926-L929 PolarHBondContact O-N 2.97Å; Y926-F967 HydrophobicContact CD1-CB 4.4Å; Y926-Q977 PolarHBondContact OH-NE2 3.31Å; Y926-Q977 PolarHBondContact OH-OE1 3.38Å |
| 927 | Q | 47.2 | Very low | 58.2 | Low | 141 Ų | 141 | 84.8 Ų | 84.8 | 66% | 0.659 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -73.8 | -1.4 | -172.3 | -62.4 | -156 | 40.7 | 0 | 0 | 115.4 | ||
| 928 | H | 52 | Low | 61.2 | Low | 191 Ų | 191 | 85.6 Ų | 85.6 | 88% | 0.884 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -125 | -0 | 178.9 | -80.7 | -73 | 0 | 0 | 0 | 115.3 | Y926 | Y926-H928 PolarHBondContact O-N 3.36Å; Y926-H928 VanDerWaalsContact O-N 3.09Å |
| 929 | L | 64.9 | Low | 64.2 | Low | 73 Ų | 73 | 82 Ų | 82 | 38% | 0.382 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -80 | 143.9 | 176.1 | -78.1 | 154.6 | 0 | 0 | 0 | 111.1 | Y926 V931 | Y926-L929 HydrophobicContact CD1-CD1 3.75Å; Y926-L929 HydrophobicContact CE1-CD1 4.26Å; Y926-L929 PolarHBondContact O-N 2.97Å; L929-V931 PolarHBondContact O-N 2.95Å |
| 930 | P | 72.1 | Confident | 67.4 | Low | 89 Ų | 89 | 78.1 Ų | 78.1 | 58% | 0.578 | 42% | 0.42 | S | S | * | . | trans | -68.8 | 115.7 | -179.2 | 27.6 | -33.3 | 0 | 0 | 0 | 110.7 | R932 | P930-R932 PolarHBondContact O-N 3.4Š| ||
| 931 | V | 82.9 | Confident | 70.2 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 114.3 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | L929 K965 F967 R1003 | L929-V931 PolarHBondContact O-N 2.95Å; V931-K965 HydrophobicContact CG1-CB 3.95Å; V931-K965 HydrophobicContact CG1-CG 4.21Å; V931-F967 HydrophobicContact CG1-CE1 4.29Å; V931-F967 HydrophobicContact CG2-CD1 3.95Å; V931-F967 HydrophobicContact CG2-CE1 3.85Å; V931-R1003 PolarHBondContact O-NH1 3.25Å |
| 932 | R | 89.7 | Confident | 73.1 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 152.8 | 173.1 | -66.5 | 161.7 | 70.6 | -177.5 | 8.1 | 109.5 | P930 F934 V966 G968 D969 E994 | P930-R932 PolarHBondContact O-N 3.4Å; R932-F934 HydrophobicContact CB-CD2 4.14Å; R932-F934 HydrophobicContact CB-CE2 3.72Å; R932-V966 HydrophobicContact CB-CB 4.4Å; R932-V966 PolarHBondContact N-O 3.01Å; R932-V966 PolarHBondContact O-N 3.1Å; R932-G968 PolarHBondContact NH1-O 3.02Å; R932-G968 VanDerWaalsContact NH1-O 3.15Å; R932-D969 IonicContact CZ-OD1 3.53Å; R932-D969 IonicContact NH1-OD1 2.74Å; R932-D969 PolarHBondContact NH1-OD1 3.24Å; R932-E994 WeakPolarHBondContact CG-OE1 3.42Å; R932-E994 IonicContact CZ-OE1 2.95Å; R932-E994 IonicContact CZ-OE2 2.61Å; R932-E994 IonicContact NE-OE1 3.45Å; R932-E994 PolarHBondContact NE-OE1 2.99Å; R932-E994 IonicContact NE-OE2 2.66Å; R932-E994 PolarHBondContact NE-OE2 2.93Å; R932-E994 IonicContact NH2-OE1 2.91Å; R932-E994 IonicContact NH2-OE2 2.72Å; R932-E994 PolarHBondContact NH2-OE2 2.86Å |
| 933 | I | 91.1 | Very high | 75.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.015 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.7 | 179.9 | -56.5 | -59.2 | 0 | 0 | 0 | 107.9 | I963 V995 R1003 L1006 L1007 | I933-I963 HydrophobicContact CG2-CG2 3.83Å; I933-V995 HydrophobicContact CG2-CB 4.36Å; I933-V995 PolarHBondContact O-N 3.01Å; I933-R1003 HydrophobicContact CD1-CB 4.45Å; I933-R1003 HydrophobicContact CG1-CB 4.03Å; I933-R1003 HydrophobicContact CG1-CG 3.91Å; I933-L1006 HydrophobicContact CG2-CD1 4.08Å; I933-L1007 HydrophobicContact CD1-CD1 3.91Å; I933-L1007 HydrophobicContact CD1-CD2 3.88Å; I933-L1007 HydrophobicContact CD1-CG 3.86Å |
| 934 | F | 93.6 | Very high | 78.1 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.9 | 176.9 | -78.9 | -111.2 | 0 | 0 | 0 | 110.1 | R932 I963 L964 V966 Y976 V992 A993 E994 | R932-F934 HydrophobicContact CB-CD2 4.14Å; R932-F934 HydrophobicContact CB-CE2 3.72Å; F934-I963 WeakPolarHBondContact O-CA 3.45Å; F934-L964 HydrophobicContact CB-CB 4.4Å; F934-L964 PolarHBondContact N-O 3.5Å; F934-L964 PolarHBondContact O-N 2.96Å; F934-V966 HydrophobicContact CB-CG2 4.21Å; F934-V966 HydrophobicContact CD2-CB 3.59Å; F934-V966 HydrophobicContact CD2-CG1 4.32Å; F934-V966 HydrophobicContact CD2-CG2 3.39Å; F934-V966 HydrophobicContact CE2-CB 3.67Å; F934-V966 HydrophobicContact CE2-CG1 3.91Å; F934-V966 HydrophobicContact CE2-CG2 3.8Å; F934-V966 HydrophobicContact CG-CB 4.49Å; F934-V966 HydrophobicContact CG-CG2 3.82Å; F934-Y976 HydrophobicContact CE1-CD2 4.35Å; F934-Y976 AromaticContact CE1-CE2 3.77Å; F934-Y976 HydrophobicContact CE1-CE2 3.77Å; F934-Y976 AromaticContact CE1-CZ 3.97Å; F934-Y976 HydrophobicContact CZ-CE1 4.17Å; F934-Y976 HydrophobicContact CZ-CE2 4.07Å; F934-Y976 AromaticContact CZ-CZ 3.86Å; F934-V992 HydrophobicContact CB-CB 4.34Å; F934-V992 HydrophobicContact CD1-CB 3.95Å; F934-V992 HydrophobicContact CD1-CG2 3.64Å; F934-V992 HydrophobicContact CE1-CG2 4.16Å; F934-V992 HydrophobicContact CG-CG2 4.49Å; F934-A993 CarbonylContact C-O 3.6Å; F934-A993 VanDerWaalsContact CA-O 3.23Å; F934-A993 WeakPolarHBondContact CA-O 3.47Å; F934-A993 WeakPolarHBondContact CD1-O 3.43Å; F934-E994 HydrophobicContact CD1-CB 4.14Å; F934-E994 HydrophobicContact CD2-CB 4.45Å; F934-E994 HydrophobicContact CD2-CG 4.49Å; F934-E994 HydrophobicContact CE1-CB 3.74Å; F934-E994 HydrophobicContact CE2-CB 4.08Å; F934-E994 HydrophobicContact CE2-CG 4.09Å; F934-E994 HydrophobicContact CG-CB 4.49Å; F934-E994 HydrophobicContact CZ-CB 3.72Å; F934-E994 HydrophobicContact CZ-CG 4.18Å |
| 935 | V | 93.4 | Very high | 80.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.1 | 169.9 | 62 | 0 | 0 | 0 | 0 | 108.6 | Q962 I963 V992 A993 V995 L1012 L1017 | V935-Q962 WeakPolarHBondContact CA-O 3.33Å; V935-I963 HydrophobicContact CB-CD1 4.02Å; V935-I963 HydrophobicContact CG2-CD1 4.17Å; V935-V992 WeakPolarHBondContact O-CA 3.38Å; V935-A993 HydrophobicContact CG1-CB 4.23Å; V935-A993 PolarHBondContact N-O 2.9Å; V935-A993 PolarHBondContact O-N 3.23Å; V935-V995 HydrophobicContact CB-CG2 3.89Å; V935-V995 HydrophobicContact CG1-CG2 3.71Å; V935-L1012 HydrophobicContact CG2-CB 4.29Å; V935-L1017 HydrophobicContact CG1-CD1 4.17Å |
| 936 | A | 94.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 131.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F958 R959 G961 Q962 L964 | A936-F958 HydrophobicContact CB-CD2 3.39Å; A936-F958 HydrophobicContact CB-CE2 3.77Å; A936-F958 HydrophobicContact CB-CG 4.3Å; A936-R959 WeakPolarHBondContact CB-O 3.33Å; A936-G961 PolarHBondContact O-N 3.43Å; A936-Q962 HydrophobicContact CB-CB 4.43Å; A936-Q962 PolarHBondContact N-O 3.34Å; A936-L964 HydrophobicContact CB-CD1 4.35Å |
| 937 | L | 90.7 | Very high | 83.8 | Confident | 66 Ų | 66 | 66.6 Ų | 66.6 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -87.9 | -23 | 177.5 | -65.1 | 178.2 | 0 | 0 | 0 | 112.5 | E960 M991 A993 | L937-E960 WeakPolarHBondContact O-CG 3.49Å; L937-M991 PolarHBondContact N-O 3.4Å; L937-A993 HydrophobicContact CD1-CB 4.14Å; L937-A993 HydrophobicContact CD2-CB 3.83Å; L937-A993 HydrophobicContact CG-CB 4.07Å |
| 938 | F | 91.1 | Very high | 85.2 | Confident | 113 Ų | 113 | 63.6 Ų | 63.6 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -143.5 | 165.1 | -177.2 | -53.6 | -70 | 0 | 0 | 0 | 109.7 | E960 M991 | F938-E960 PolarHBondContact O-N 3.33Å; F938-M991 HydrophobicContact CB-SD 4.26Å; F938-M991 HydrophobicContact CD2-SD 3.78Å; F938-M991 HydrophobicContact CG-SD 4.42Å |
| 939 | D | 92.1 | Very high | 86.3 | Confident | 94 Ų | 94 | 61 Ų | 61 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | trans | -67.2 | 140.7 | 166.2 | -75.3 | -18.8 | 0 | 0 | 0 | 110.2 | M945 R959 E960 | D939-M945 WeakPolarHBondContact O-CE 3.48Å; D939-R959 WeakPolarHBondContact OD1-CA 3.35Å; D939-R959 VanDerWaalsContact OD1-CB 3.23Å; D939-R959 WeakPolarHBondContact OD1-CB 3.47Å; D939-E960 PolarHBondContact OD1-N 3.48Å | ||
| 940 | Y | 93.4 | Very high | 87.2 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 6% | 0.059 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -132.6 | 119 | 174.7 | -164.1 | -114.2 | 0 | 0 | 0 | 112.1 | P942 M945 E955 P957 F958 P988 M991 | Y940-P942 HydrophobicContact CD1-CG 4.13Å; Y940-P942 HydrophobicContact CE1-CB 4.29Å; Y940-P942 HydrophobicContact CE1-CG 3.83Å; Y940-M945 HydrophobicContact CD2-CB 4.48Å; Y940-M945 HydrophobicContact CD2-CE 4.06Å; Y940-M945 HydrophobicContact CE2-CB 3.99Å; Y940-E955 WeakPolarHBondContact CE1-OE2 3.22Å; Y940-E955 PolarHBondContact OH-OE2 2.91Å; Y940-P957 VanDerWaalsContact O-CA 3.3Å; Y940-P957 WeakPolarHBondContact O-CA 3.29Å; Y940-F958 VanDerWaalsContact CB-CZ 3.42Å; Y940-F958 AromaticContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CZ 4.06Å; Y940-F958 HydrophobicContact CG-CE1 4.15Å; Y940-F958 HydrophobicContact CG-CE2 4.27Å; Y940-F958 AromaticContact CG-CZ 3.86Å; Y940-F958 HydrophobicContact CG-CZ 3.86Å; Y940-F958 PolarHBondContact N-O 2.88Å; Y940-F958 PolarHBondContact O-N 2.93Å; Y940-F958 VanDerWaalsContact O-O 3.06Å; Y940-P988 HydrophobicContact CD1-CG 4.25Å; Y940-P988 HydrophobicContact CD2-CG 4.48Å; Y940-P988 HydrophobicContact CE1-CG 3.67Å; Y940-P988 HydrophobicContact CE2-CG 3.96Å; Y940-M991 HydrophobicContact CD2-CE 3.87Å; Y940-M991 HydrophobicContact CD2-CG 4.15Å; Y940-M991 HydrophobicContact CE2-CE 4.32Å |
| 941 | D | 92.7 | Very high | 87.9 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | trans | -122.6 | 105.2 | 173.1 | 173.3 | 37.2 | 0 | 0 | 0 | 108.5 | V943 S944 M945 | D941-V943 PolarHBondContact O-N 3.05Å; D941-S944 PolarHBondContact O-N 2.91Å; D941-S944 PolarHBondContact O-OG 3.17Å; D941-S944 WeakPolarHBondContact OD2-CB 3.47Å; D941-S944 PolarHBondContact OD2-OG 3.42Å; D941-M945 HydrophobicContact CB-CE 4.25Å; D941-M945 PolarHBondContact O-N 3.05Å | ||
| 942 | P | 91.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.1 | -32.1 | -176 | -24.7 | 32.6 | 0 | 0 | 0 | 113.5 | Y940 S944 S946 A951 E955 P957 | Y940-P942 HydrophobicContact CD1-CG 4.13Å; Y940-P942 HydrophobicContact CE1-CB 4.29Å; Y940-P942 HydrophobicContact CE1-CG 3.83Å; P942-S944 VanDerWaalsContact C-N 3.26Å; P942-S944 PolarHBondContact O-N 3.39Å; P942-S946 WeakPolarHBondContact O-CB 3.49Å; P942-S946 PolarHBondContact O-N 3.15Å; P942-A951 HydrophobicContact CB-CB 3.71Å; P942-A951 VanDerWaalsContact CB-O 3.31Å; P942-A951 WeakPolarHBondContact CB-O 3.48Å; P942-E955 HydrophobicContact CB-CB 3.91Å; P942-E955 HydrophobicContact CG-CB 3.79Å; P942-P957 HydrophobicContact CG-CB 4.34Å |
| 943 | V | 87.2 | Confident | 87.7 | Confident | 116 Ų | 116 | 62 Ų | 62 | 70% | 0.703 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.5 | -24.3 | -176.4 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | D941 | D941-V943 PolarHBondContact O-N 3.05Å |
| 944 | S | 88.1 | Confident | 87.6 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 58% | 0.58 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -113.6 | -16.3 | -178 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | D941 P942 | D941-S944 PolarHBondContact O-N 2.91Å; D941-S944 PolarHBondContact O-OG 3.17Å; D941-S944 WeakPolarHBondContact OD2-CB 3.47Å; D941-S944 PolarHBondContact OD2-OG 3.42Å; P942-S944 VanDerWaalsContact C-N 3.26Å; P942-S944 PolarHBondContact O-N 3.39Å |
| 945 | M | 86.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -124.7 | -10.3 | -175.9 | -70.3 | -174.9 | -71.3 | 0 | 0 | 115.5 | D939 Y940 D941 | D939-M945 WeakPolarHBondContact O-CE 3.48Å; Y940-M945 HydrophobicContact CD2-CB 4.48Å; Y940-M945 HydrophobicContact CD2-CE 4.06Å; Y940-M945 HydrophobicContact CE2-CB 3.99Å; D941-M945 HydrophobicContact CB-CE 4.25Å; D941-M945 PolarHBondContact O-N 3.05Å |
| 946 | S | 84.4 | Confident | 87.6 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 13% | 0.126 | 37% | 0.372 | C | S | . | . | trans | -87.9 | 140.8 | 168.1 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | P942 N948 A951 E955 | P942-S946 WeakPolarHBondContact O-CB 3.49Å; P942-S946 PolarHBondContact O-N 3.15Å; S946-N948 PolarHBondContact O-N 3.29Å; S946-N948 PolarHBondContact OG-N 2.92Å; S946-A951 WeakPolarHBondContact OG-CB 3.43Å; S946-E955 WeakPolarHBondContact CB-OE1 3.31Å; S946-E955 PolarHBondContact OG-OE1 3.39Å | ||
| 947 | P | 80.7 | Confident | 87.6 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 81% | 0.812 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -73.4 | -11 | 169.4 | 32.2 | -36 | 0 | 0 | 0 | 112.9 | ||
| 948 | N | 77.1 | Confident | 87.7 | Confident | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | trans | -83.4 | 130.4 | -175.6 | -60.7 | -29.5 | 0 | 0 | 0 | 111.2 | S946 D950 A951 E955 | S946-N948 PolarHBondContact O-N 3.29Å; S946-N948 PolarHBondContact OG-N 2.92Å; N948-D950 PolarHBondContact O-N 2.96Å; N948-A951 HydrophobicContact CB-CB 4.15Å; N948-A951 VanDerWaalsContact O-CB 3.26Å; N948-A951 WeakPolarHBondContact O-CB 3.35Å; N948-A951 PolarHBondContact O-N 3.49Å; N948-E955 PolarHBondContact ND2-OE1 3.24Å | ||
| 949 | P | 75.8 | Confident | 87.8 | Confident | 137 Ų | 137 | 66.2 Ų | 66.2 | 89% | 0.89 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.8 | -174.2 | 29.5 | -36.1 | 0 | 0 | 0 | 114.1 | ||
| 950 | D | 83.5 | Confident | 87.9 | Confident | 87 Ų | 87 | 66 Ų | 66 | 47% | 0.465 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 2.7 | -179.8 | 52.6 | -11.9 | 0 | 0 | 0 | 113.5 | N948 G952 E953 E954 | N948-D950 PolarHBondContact O-N 2.96Å; D950-G952 PolarHBondContact O-N 3.4Å; D950-E953 PolarHBondContact O-N 2.93Å; D950-E954 HydrophobicContact CB-CG 4.46Å; D950-E954 PolarHBondContact O-N 3.15Å |
| 951 | A | 85.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52 | -31.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | P942 S946 N948 E953 E954 E955 | P942-A951 HydrophobicContact CB-CB 3.71Å; P942-A951 VanDerWaalsContact CB-O 3.31Å; P942-A951 WeakPolarHBondContact CB-O 3.48Å; S946-A951 WeakPolarHBondContact OG-CB 3.43Å; N948-A951 HydrophobicContact CB-CB 4.15Å; N948-A951 VanDerWaalsContact O-CB 3.26Å; N948-A951 WeakPolarHBondContact O-CB 3.35Å; N948-A951 PolarHBondContact O-N 3.49Å; A951-E953 PolarHBondContact O-N 3.18Å; A951-E954 PolarHBondContact O-N 2.93Å; A951-E955 HydrophobicContact CB-CG 4.16Å; A951-E955 VanDerWaalsContact CB-OE1 3.3Å; A951-E955 WeakPolarHBondContact CB-OE1 3.42Å; A951-E955 WeakPolarHBondContact O-CA 3.37Å; A951-E955 VanDerWaalsContact O-CB 3.31Å; A951-E955 WeakPolarHBondContact O-CB 3.45Å; A951-E955 PolarHBondContact O-N 3.46Å |
| 952 | G | 83.6 | Confident | 87.6 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 50% | 0.495 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.1 | -18.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D950 | D950-G952 PolarHBondContact O-N 3.4Å |
| 953 | E | 84.6 | Confident | 87.6 | Confident | 144 Ų | 144 | 63.9 Ų | 63.9 | 67% | 0.673 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -99.9 | -32.7 | 174.2 | -64.5 | -165.6 | -176.3 | 0 | 0 | 112.9 | R918 D950 A951 | R918-E953 IonicContact NH2-OE2 2.65Å; D950-E953 PolarHBondContact O-N 2.93Å; A951-E953 PolarHBondContact O-N 3.18Å |
| 954 | E | 89.3 | Confident | 87.9 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 29% | 0.29 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -99.2 | -33.6 | -168.8 | -54.9 | -98.6 | 124.2 | 0 | 0 | 112.8 | R918 D950 A951 G985 Y986 | R918-E954 IonicContact CZ-OE1 3.43Å; R918-E954 IonicContact NH1-OE1 2.76Å; R918-E954 PolarHBondContact NH1-OE1 3.47Å; R918-E954 IonicContact NH2-OE1 3.39Å; R918-E954 PolarHBondContact NH2-OE1 2.97Å; D950-E954 HydrophobicContact CB-CG 4.46Å; D950-E954 PolarHBondContact O-N 3.15Å; A951-E954 PolarHBondContact O-N 2.93Å; E954-G985 VanDerWaalsContact O-CA 3.25Å; E954-G985 WeakPolarHBondContact O-CA 3.37Å; E954-Y986 WeakPolarHBondContact O-CD2 3.36Å; E954-Y986 PolarHBondContact O-N 2.9Å |
| 955 | E | 94 | Very high | 88.1 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -99.3 | 153.6 | -176.8 | -54.1 | -177.3 | -144 | 0 | 0 | 112.2 | Y940 P942 S946 N948 A951 P957 | Y940-E955 WeakPolarHBondContact CE1-OE2 3.22Å; Y940-E955 PolarHBondContact OH-OE2 2.91Å; P942-E955 HydrophobicContact CB-CB 3.91Å; P942-E955 HydrophobicContact CG-CB 3.79Å; S946-E955 WeakPolarHBondContact CB-OE1 3.31Å; S946-E955 PolarHBondContact OG-OE1 3.39Å; N948-E955 PolarHBondContact ND2-OE1 3.24Å; A951-E955 HydrophobicContact CB-CG 4.16Å; A951-E955 VanDerWaalsContact CB-OE1 3.3Å; A951-E955 WeakPolarHBondContact CB-OE1 3.42Å; A951-E955 WeakPolarHBondContact O-CA 3.37Å; A951-E955 VanDerWaalsContact O-CB 3.31Å; A951-E955 WeakPolarHBondContact O-CB 3.45Å; A951-E955 PolarHBondContact O-N 3.46Å; E955-P957 WeakPolarHBondContact O-CD 3.41Å |
| 956 | L | 93.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -93.8 | 111.7 | -173.7 | -174.4 | 70.4 | 0 | 0 | 0 | 111.2 | F958 L964 R983 Y986 I987 | L956-F958 WeakPolarHBondContact O-CD1 3.32Å; L956-F958 WeakPolarHBondContact O-CE1 3.5Å; L956-L964 HydrophobicContact CD2-CD2 4.06Å; L956-R983 HydrophobicContact CD1-CB 3.69Å; L956-R983 WeakPolarHBondContact CD1-O 3.5Å; L956-Y986 WeakPolarHBondContact CB-O 3.47Å; L956-Y986 PolarHBondContact N-O 3.39Å; L956-I987 HydrophobicContact CB-CG1 4Å; L956-I987 HydrophobicContact CD2-CD1 3.7Å; L956-I987 HydrophobicContact CD2-CG1 3.78Å | ||
| 957 | P | 93.1 | Very high | 88.7 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | trans | -70.9 | 134.2 | 169.4 | 26.7 | -35.1 | 0 | 0 | 0 | 112.2 | Y940 P942 E955 R983 | Y940-P957 VanDerWaalsContact O-CA 3.3Å; Y940-P957 WeakPolarHBondContact O-CA 3.29Å; P942-P957 HydrophobicContact CG-CB 4.34Å; E955-P957 WeakPolarHBondContact O-CD 3.41Å; P957-R983 VanDerWaalsContact CG-NH2 3.35Å | ||
| 958 | F | 94.6 | Very high | 89 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -147.2 | 172.7 | 178.9 | 53.2 | -102.3 | 0 | 0 | 0 | 112.4 | A936 Y940 L956 L964 I987 M991 V992 | A936-F958 HydrophobicContact CB-CD2 3.39Å; A936-F958 HydrophobicContact CB-CE2 3.77Å; A936-F958 HydrophobicContact CB-CG 4.3Å; Y940-F958 VanDerWaalsContact CB-CZ 3.42Å; Y940-F958 AromaticContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CE1 3.89Å; Y940-F958 HydrophobicContact CD1-CZ 4.06Å; Y940-F958 HydrophobicContact CG-CE1 4.15Å; Y940-F958 HydrophobicContact CG-CE2 4.27Å; Y940-F958 AromaticContact CG-CZ 3.86Å; Y940-F958 HydrophobicContact CG-CZ 3.86Å; Y940-F958 PolarHBondContact N-O 2.88Å; Y940-F958 PolarHBondContact O-N 2.93Å; Y940-F958 VanDerWaalsContact O-O 3.06Å; L956-F958 WeakPolarHBondContact O-CD1 3.32Å; L956-F958 WeakPolarHBondContact O-CE1 3.5Å; F958-L964 HydrophobicContact CB-CD1 4.24Å; F958-L964 HydrophobicContact CB-CD2 3.93Å; F958-L964 HydrophobicContact CD1-CD1 3.75Å; F958-L964 HydrophobicContact CD1-CD2 4.45Å; F958-L964 HydrophobicContact CD2-CD1 4.21Å; F958-L964 HydrophobicContact CE1-CD1 4.14Å; F958-L964 HydrophobicContact CG-CD1 3.81Å; F958-L964 HydrophobicContact CG-CD2 4.36Å; F958-L964 HydrophobicContact CZ-CD1 4.49Å; F958-I987 HydrophobicContact CE1-CB 4.45Å; F958-I987 HydrophobicContact CE1-CG1 4.41Å; F958-I987 HydrophobicContact CE1-CG2 3.84Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å; F958-M991 HydrophobicContact CE2-CB 3.95Å; F958-M991 HydrophobicContact CZ-CB 3.76Å; F958-V992 HydrophobicContact CE1-CG1 4.48Å; F958-V992 HydrophobicContact CE2-CG1 4.12Å; F958-V992 HydrophobicContact CZ-CG1 3.88Å |
| 959 | R | 92.5 | Very high | 89.4 | Confident | 165 Ų | 165 | 50 Ų | 50 | 62% | 0.623 | 26% | 0.263 | S | S | * | . | trans | -122.6 | 153.7 | -179.6 | -66.6 | -172.9 | -179.9 | -164 | -3.9 | 113.1 | A936 D939 G961 Q962 Y1011 | A936-R959 WeakPolarHBondContact CB-O 3.33Å; D939-R959 WeakPolarHBondContact OD1-CA 3.35Å; D939-R959 VanDerWaalsContact OD1-CB 3.23Å; D939-R959 WeakPolarHBondContact OD1-CB 3.47Å; R959-G961 PolarHBondContact O-N 2.91Å; R959-Q962 VanDerWaalsContact N-OE1 3.09Å; R959-Q962 WeakPolarHBondContact O-CB 3.33Å; R959-Q962 PolarHBondContact O-N 3.46Å; R959-Y1011 HydrophobicContact CB-CE2 4.34Å; R959-Y1011 WeakPolarHBondContact CB-OH 3.4Å | ||
| 960 | E | 92.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 124.2 | 176.9 | 177.9 | 179.2 | 164.7 | 0 | 0 | 110.6 | L937 F938 D939 Y1011 | L937-E960 WeakPolarHBondContact O-CG 3.49Å; F938-E960 PolarHBondContact O-N 3.33Å; D939-E960 PolarHBondContact OD1-N 3.48Å; E960-Y1011 WeakPolarHBondContact O-CE1 3.38Å; E960-Y1011 PolarHBondContact O-OH 2.84Å |
| 961 | G | 87.4 | Confident | 90.3 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | -6.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A936 R959 Y1011 L1012 | A936-G961 PolarHBondContact O-N 3.43Å; R959-G961 PolarHBondContact O-N 2.91Å; G961-Y1011 CarbonylContact O-C 3.53Å; G961-Y1011 WeakPolarHBondContact O-CA 3.5Å; G961-L1012 VanDerWaalsContact CA-O 3.24Å; G961-L1012 WeakPolarHBondContact CA-O 3.36Å; G961-L1012 PolarHBondContact O-N 3.3Å |
| 962 | Q | 92.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -64.7 | 138.3 | 176 | -175.4 | 175.2 | -29.1 | 0 | 0 | 111.3 | V935 A936 R959 L964 Y1011 | V935-Q962 WeakPolarHBondContact CA-O 3.33Å; A936-Q962 HydrophobicContact CB-CB 4.43Å; A936-Q962 PolarHBondContact N-O 3.34Å; R959-Q962 VanDerWaalsContact N-OE1 3.09Å; R959-Q962 WeakPolarHBondContact O-CB 3.33Å; R959-Q962 PolarHBondContact O-N 3.46Å; Q962-L964 HydrophobicContact CG-CD2 4.13Å; Q962-Y1011 HydrophobicContact CB-CD2 4.26Å; Q962-Y1011 HydrophobicContact CB-CE2 4.01Å |
| 963 | I | 92.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.9 | 173.7 | -65.2 | -57.1 | 0 | 0 | 0 | 110.4 | I933 F934 V935 L1007 G1010 L1012 | I933-I963 HydrophobicContact CG2-CG2 3.83Å; F934-I963 WeakPolarHBondContact O-CA 3.45Å; V935-I963 HydrophobicContact CB-CD1 4.02Å; V935-I963 HydrophobicContact CG2-CD1 4.17Å; I963-L1007 HydrophobicContact CG2-CD2 4Å; I963-G1010 PolarHBondContact N-O 3.47Å; I963-L1012 HydrophobicContact CD1-CB 4.22Å; I963-L1012 HydrophobicContact CD1-CD1 3.54Å; I963-L1012 HydrophobicContact CD1-CG 3.61Å; I963-L1012 HydrophobicContact CG1-CG 4.12Å |
| 964 | L | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.5 | -177.2 | -56.3 | 173.2 | 0 | 0 | 0 | 109.7 | F934 A936 L956 F958 Q962 I987 V992 | F934-L964 HydrophobicContact CB-CB 4.4Å; F934-L964 PolarHBondContact N-O 3.5Å; F934-L964 PolarHBondContact O-N 2.96Å; A936-L964 HydrophobicContact CB-CD1 4.35Å; L956-L964 HydrophobicContact CD2-CD2 4.06Å; F958-L964 HydrophobicContact CB-CD1 4.24Å; F958-L964 HydrophobicContact CB-CD2 3.93Å; F958-L964 HydrophobicContact CD1-CD1 3.75Å; F958-L964 HydrophobicContact CD1-CD2 4.45Å; F958-L964 HydrophobicContact CD2-CD1 4.21Å; F958-L964 HydrophobicContact CE1-CD1 4.14Å; F958-L964 HydrophobicContact CG-CD1 3.81Å; F958-L964 HydrophobicContact CG-CD2 4.36Å; F958-L964 HydrophobicContact CZ-CD1 4.49Å; Q962-L964 HydrophobicContact CG-CD2 4.13Å; L964-I987 HydrophobicContact CB-CD1 4.29Å; L964-I987 HydrophobicContact CD1-CD1 4.22Å; L964-I987 HydrophobicContact CD1-CG2 4.3Å; L964-V992 HydrophobicContact CD1-CG1 3.69Å |
| 965 | K | 92.8 | Very high | 90.5 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.2 | 167.3 | -61.3 | 168.1 | -172.3 | 161.4 | 0 | 107.7 | V931 F967 G978 E979 L1007 | V931-K965 HydrophobicContact CG1-CB 3.95Å; V931-K965 HydrophobicContact CG1-CG 4.21Å; K965-F967 HydrophobicContact CB-CZ 4.22Å; K965-F967 HydrophobicContact CD-CZ 4.47Å; K965-G978 CarbonylContact O-C 3.6Å; K965-G978 WeakPolarHBondContact O-CA 3.46Å; K965-E979 HydrophobicContact CB-CB 4.28Å; K965-E979 HydrophobicContact CD-CB 4.22Å; K965-E979 WeakPolarHBondContact CD-OE2 3.35Å; K965-E979 PolarHBondContact N-O 2.91Å; K965-E979 IonicContact NZ-OE1 2.75Å; K965-E979 PolarHBondContact NZ-OE1 2.97Å; K965-E979 IonicContact NZ-OE2 3.19Å; K965-E979 PolarHBondContact NZ-OE2 3.24Å; K965-E979 PolarHBondContact O-N 2.93Å; K965-L1007 HydrophobicContact CD-CD2 4.29Å; K965-L1007 HydrophobicContact CG-CD2 3.57Å |
| 966 | V | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.9 | 172.5 | 165.9 | 0 | 0 | 0 | 0 | 109.2 | R932 F934 Y976 I987 | R932-V966 HydrophobicContact CB-CB 4.4Å; R932-V966 PolarHBondContact N-O 3.01Å; R932-V966 PolarHBondContact O-N 3.1Å; F934-V966 HydrophobicContact CB-CG2 4.21Å; F934-V966 HydrophobicContact CD2-CB 3.59Å; F934-V966 HydrophobicContact CD2-CG1 4.32Å; F934-V966 HydrophobicContact CD2-CG2 3.39Å; F934-V966 HydrophobicContact CE2-CB 3.67Å; F934-V966 HydrophobicContact CE2-CG1 3.91Å; F934-V966 HydrophobicContact CE2-CG2 3.8Å; F934-V966 HydrophobicContact CG-CB 4.49Å; F934-V966 HydrophobicContact CG-CG2 3.82Å; V966-Y976 HydrophobicContact CG1-CD1 3.67Å; V966-Y976 HydrophobicContact CG1-CE1 4.48Å; V966-Y976 HydrophobicContact CG1-CG 3.91Å; V966-Y976 HydrophobicContact CG2-CG 4.37Å; V966-I987 HydrophobicContact CG2-CD1 4.17Å |
| 967 | F | 90.7 | Very high | 90.5 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 114.1 | 179.3 | -51.5 | -75.8 | 0 | 0 | 0 | 109.4 | Y926 V931 K965 Q977 E979 | Y926-F967 HydrophobicContact CD1-CB 4.4Å; V931-F967 HydrophobicContact CG1-CE1 4.29Å; V931-F967 HydrophobicContact CG2-CD1 3.95Å; V931-F967 HydrophobicContact CG2-CE1 3.85Å; K965-F967 HydrophobicContact CB-CZ 4.22Å; K965-F967 HydrophobicContact CD-CZ 4.47Å; F967-Q977 PolarHBondContact N-O 3.25Å; F967-E979 HydrophobicContact CE2-CB 3.82Å; F967-E979 HydrophobicContact CZ-CB 4.02Å |
| 968 | G | 85.5 | Confident | 90.5 | Very high | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 82.5 | -153.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R932 | R932-G968 PolarHBondContact NH1-O 3.02Å; R932-G968 VanDerWaalsContact NH1-O 3.15Å |
| 969 | D | 86.6 | Confident | 90.4 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 68% | 0.679 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -105 | 174.2 | 174.8 | -71 | -54.8 | 0 | 0 | 0 | 110.1 | R932 | R932-D969 IonicContact CZ-OD1 3.53Å; R932-D969 IonicContact NH1-OD1 2.74Å; R932-D969 PolarHBondContact NH1-OD1 3.24Å |
| 970 | K | 89 | Confident | 90.2 | Very high | 114 Ų | 114 | 46.4 Ų | 46.4 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | trans | -70.5 | 148.9 | 175.2 | 61.5 | 177 | -166.3 | 154.8 | 0 | 111.1 | F975 Y976 C989 | K970-F975 CarbonylContact C-O 3.59Å; K970-F975 WeakPolarHBondContact CA-O 3.48Å; K970-F975 WeakPolarHBondContact CB-O 3.46Å; K970-Y976 HydrophobicContact CB-CD1 3.77Å; K970-Y976 HydrophobicContact CB-CE1 3.62Å; K970-Y976 HydrophobicContact CB-CG 4.34Å; K970-Y976 HydrophobicContact CG-CE1 4.3Å; K970-C989 HydrophobicContact CD-CB 4.45Å | ||
| 971 | D | 89.5 | Confident | 89.5 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | trans | -73.1 | -177.3 | 170.5 | 54.2 | 39.1 | 0 | 0 | 0 | 112.3 | D973 G974 F975 | D971-D973 PolarHBondContact O-N 3.46Å; D971-D973 PolarHBondContact OD1-N 3.39Å; D971-D973 VanDerWaalsContact OD1-N 3.16Å; D971-G974 PolarHBondContact O-N 3.08Å; D971-G974 PolarHBondContact OD1-N 3.01Å; D971-F975 VanDerWaalsContact CG-O 3.26Å; D971-F975 PolarHBondContact N-O 2.9Å; D971-F975 PolarHBondContact OD1-N 3.39Å; D971-F975 WeakPolarHBondContact OD2-CB 3.47Å | ||
| 972 | A | 80.3 | Confident | 89.1 | Confident | 108 Ų | 108 | 48.8 Ų | 48.8 | 89% | 0.893 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -31.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G974 | A972-G974 VanDerWaalsContact C-N 3.3Š|
| 973 | D | 83.8 | Confident | 88.8 | Confident | 134 Ų | 134 | 54.6 Ų | 54.6 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -4.8 | -177.3 | -53.8 | -65.1 | 0 | 0 | 0 | 112.6 | D971 F975 | D971-D973 PolarHBondContact O-N 3.46Å; D971-D973 PolarHBondContact OD1-N 3.39Å; D971-D973 VanDerWaalsContact OD1-N 3.16Å; D973-F975 HydrophobicContact CB-CD2 4.1Å; D973-F975 HydrophobicContact CB-CE2 4.48Å |
| 974 | G | 90.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 88.6 | 17.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D971 A972 C989 | D971-G974 PolarHBondContact O-N 3.08Å; D971-G974 PolarHBondContact OD1-N 3.01Å; A972-G974 VanDerWaalsContact C-N 3.3Å; G974-C989 WeakPolarHBondContact O-CB 3.47Å; G974-C989 PolarHBondContact O-N 2.92Å; G974-C989 PolarHBondContact O-SG 3.33Å |
| 975 | F | 93.3 | Very high | 88.7 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.211 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.4 | 175 | -67.4 | -105.6 | 0 | 0 | 0 | 110.8 | K970 D971 D973 Y986 I987 P988 | K970-F975 CarbonylContact C-O 3.59Å; K970-F975 WeakPolarHBondContact CA-O 3.48Å; K970-F975 WeakPolarHBondContact CB-O 3.46Å; D971-F975 VanDerWaalsContact CG-O 3.26Å; D971-F975 PolarHBondContact N-O 2.9Å; D971-F975 PolarHBondContact OD1-N 3.39Å; D971-F975 WeakPolarHBondContact OD2-CB 3.47Å; D973-F975 HydrophobicContact CB-CD2 4.1Å; D973-F975 HydrophobicContact CB-CE2 4.48Å; F975-Y986 HydrophobicContact CB-CD1 4.23Å; F975-I987 WeakPolarHBondContact CA-O 3.39Å; F975-P988 HydrophobicContact CD1-CB 4.3Å; F975-P988 HydrophobicContact CD1-CG 4.13Å; F975-P988 HydrophobicContact CE1-CB 4.07Å; F975-P988 HydrophobicContact CE1-CG 3.75Å |
| 976 | Y | 93.9 | Very high | 88.8 | Confident | 32 Ų | 32 | 61 Ų | 61 | 13% | 0.125 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 140.5 | 167.2 | -67.6 | -70.6 | 0 | 0 | 0 | 109 | F934 V966 K970 Y986 I987 C989 V992 | F934-Y976 HydrophobicContact CE1-CD2 4.35Å; F934-Y976 AromaticContact CE1-CE2 3.77Å; F934-Y976 HydrophobicContact CE1-CE2 3.77Å; F934-Y976 AromaticContact CE1-CZ 3.97Å; F934-Y976 HydrophobicContact CZ-CE1 4.17Å; F934-Y976 HydrophobicContact CZ-CE2 4.07Å; F934-Y976 AromaticContact CZ-CZ 3.86Å; V966-Y976 HydrophobicContact CG1-CD1 3.67Å; V966-Y976 HydrophobicContact CG1-CE1 4.48Å; V966-Y976 HydrophobicContact CG1-CG 3.91Å; V966-Y976 HydrophobicContact CG2-CG 4.37Å; K970-Y976 HydrophobicContact CB-CD1 3.77Å; K970-Y976 HydrophobicContact CB-CE1 3.62Å; K970-Y976 HydrophobicContact CB-CG 4.34Å; K970-Y976 HydrophobicContact CG-CE1 4.3Å; Y976-Y986 CarbonylContact O-C 3.21Å; Y976-Y986 WeakPolarHBondContact O-CA 3.49Å; Y976-I987 PolarHBondContact N-O 2.73Å; Y976-I987 WeakPolarHBondContact O-CB 3.45Å; Y976-I987 PolarHBondContact O-N 2.78Å; Y976-C989 HydrophobicContact CD2-CB 3.86Å; Y976-C989 HydrophobicContact CE2-CB 3.39Å; Y976-V992 HydrophobicContact CD2-CG2 4.05Å; Y976-V992 HydrophobicContact CE2-CG2 4.18Å |
| 977 | Q | 92.8 | Very high | 88.9 | Confident | 54 Ų | 54 | 61 Ų | 61 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.7 | 166.9 | -158.4 | 171.7 | 23.6 | 0 | 0 | 110.3 | Y926 F967 | Y926-Q977 PolarHBondContact OH-NE2 3.31Å; Y926-Q977 PolarHBondContact OH-OE1 3.38Å; F967-Q977 PolarHBondContact N-O 3.25Å |
| 978 | G | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 179.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.4 | K965 T984 G985 | K965-G978 CarbonylContact O-C 3.6Å; K965-G978 WeakPolarHBondContact O-CA 3.46Å; G978-T984 CarbonylContact O-C 3.49Å; G978-T984 VanDerWaalsContact O-CA 3.24Å; G978-T984 WeakPolarHBondContact O-CA 3.5Å; G978-G985 PolarHBondContact N-O 3.41Å; G978-G985 PolarHBondContact O-N 3.33Å |
| 979 | E | 93.1 | Very high | 89.4 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.1 | -178.4 | -173.1 | -148 | 131.1 | 0 | 0 | 110.6 | K965 F967 R983 T984 | K965-E979 HydrophobicContact CB-CB 4.28Å; K965-E979 HydrophobicContact CD-CB 4.22Å; K965-E979 WeakPolarHBondContact CD-OE2 3.35Å; K965-E979 PolarHBondContact N-O 2.91Å; K965-E979 IonicContact NZ-OE1 2.75Å; K965-E979 PolarHBondContact NZ-OE1 2.97Å; K965-E979 IonicContact NZ-OE2 3.19Å; K965-E979 PolarHBondContact NZ-OE2 3.24Å; K965-E979 PolarHBondContact O-N 2.93Å; F967-E979 HydrophobicContact CE2-CB 3.82Å; F967-E979 HydrophobicContact CZ-CB 4.02Å; E979-R983 CarbonylContact C-O 3.51Å; E979-R983 WeakPolarHBondContact CA-O 3.38Å; E979-R983 WeakPolarHBondContact CG-O 3.3Å; E979-T984 HydrophobicContact CB-CG2 3.99Å; E979-T984 HydrophobicContact CG-CG2 3.97Å |
| 980 | G | 87.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 134.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G982 R983 | G980-G982 PolarHBondContact O-N 3.43Å; G980-G982 VanDerWaalsContact O-N 3.07Å; G980-R983 PolarHBondContact N-O 2.95Å; G980-R983 PolarHBondContact O-N 3.42Å |
| 981 | G | 77.6 | Confident | 89.8 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 81% | 0.814 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 19.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 982 | G | 80.8 | Confident | 90 | Very high | 65 Ų | 65 | 55.8 Ų | 55.8 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G980 | G980-G982 PolarHBondContact O-N 3.43Å; G980-G982 VanDerWaalsContact O-N 3.07Å |
| 983 | R | 86.3 | Confident | 90.6 | Very high | 150 Ų | 150 | 52.3 Ų | 52.3 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151.9 | 167.9 | -71.4 | -176.2 | -73.3 | -167.3 | -4.5 | 110.2 | L956 P957 E979 G980 | L956-R983 HydrophobicContact CD1-CB 3.69Å; L956-R983 WeakPolarHBondContact CD1-O 3.5Å; P957-R983 VanDerWaalsContact CG-NH2 3.35Å; E979-R983 CarbonylContact C-O 3.51Å; E979-R983 WeakPolarHBondContact CA-O 3.38Å; E979-R983 WeakPolarHBondContact CG-O 3.3Å; G980-R983 PolarHBondContact N-O 2.95Å; G980-R983 PolarHBondContact O-N 3.42Å |
| 984 | T | 90.8 | Very high | 91 | Very high | 106 Ų | 106 | 50.5 Ų | 50.5 | 65% | 0.65 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.4 | 171.9 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | G978 E979 | G978-T984 CarbonylContact O-C 3.49Å; G978-T984 VanDerWaalsContact O-CA 3.24Å; G978-T984 WeakPolarHBondContact O-CA 3.5Å; E979-T984 HydrophobicContact CB-CG2 3.99Å; E979-T984 HydrophobicContact CG-CG2 3.97Å |
| 985 | G | 93.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.9 | -177.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E954 G978 | E954-G985 VanDerWaalsContact O-CA 3.25Å; E954-G985 WeakPolarHBondContact O-CA 3.37Å; G978-G985 PolarHBondContact N-O 3.41Å; G978-G985 PolarHBondContact O-N 3.33Å |
| 986 | Y | 94.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 148 | 174.4 | -63.7 | -76 | 0 | 0 | 0 | 112.4 | E954 L956 F975 Y976 | E954-Y986 WeakPolarHBondContact O-CD2 3.36Å; E954-Y986 PolarHBondContact O-N 2.9Å; L956-Y986 WeakPolarHBondContact CB-O 3.47Å; L956-Y986 PolarHBondContact N-O 3.39Å; F975-Y986 HydrophobicContact CB-CD1 4.23Å; Y976-Y986 CarbonylContact O-C 3.21Å; Y976-Y986 WeakPolarHBondContact O-CA 3.49Å |
| 987 | I | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 113.5 | -174.4 | -63.4 | 171.7 | 0 | 0 | 0 | 107.7 | L956 F958 L964 V966 F975 Y976 C989 V992 | L956-I987 HydrophobicContact CB-CG1 4Å; L956-I987 HydrophobicContact CD2-CD1 3.7Å; L956-I987 HydrophobicContact CD2-CG1 3.78Å; F958-I987 HydrophobicContact CE1-CB 4.45Å; F958-I987 HydrophobicContact CE1-CG1 4.41Å; F958-I987 HydrophobicContact CE1-CG2 3.84Å; F958-I987 HydrophobicContact CZ-CG2 4.21Å; L964-I987 HydrophobicContact CB-CD1 4.29Å; L964-I987 HydrophobicContact CD1-CD1 4.22Å; L964-I987 HydrophobicContact CD1-CG2 4.3Å; V966-I987 HydrophobicContact CG2-CD1 4.17Å; F975-I987 WeakPolarHBondContact CA-O 3.39Å; Y976-I987 PolarHBondContact N-O 2.73Å; Y976-I987 WeakPolarHBondContact O-CB 3.45Å; Y976-I987 PolarHBondContact O-N 2.78Å; I987-C989 PolarHBondContact O-N 3.37Å; I987-V992 HydrophobicContact CG2-CB 4.32Å; I987-V992 HydrophobicContact CG2-CG1 3.48Å; I987-V992 VanDerWaalsContact CG2-CG1 3.48Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å |
| 988 | P | 93.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 128.1 | 179 | -17.1 | 25.2 | 0 | 0 | 0 | 111.5 | Y940 F975 N990 M991 | Y940-P988 HydrophobicContact CD1-CG 4.25Å; Y940-P988 HydrophobicContact CD2-CG 4.48Å; Y940-P988 HydrophobicContact CE1-CG 3.67Å; Y940-P988 HydrophobicContact CE2-CG 3.96Å; F975-P988 HydrophobicContact CD1-CB 4.3Å; F975-P988 HydrophobicContact CD1-CG 4.13Å; F975-P988 HydrophobicContact CE1-CB 4.07Å; F975-P988 HydrophobicContact CE1-CG 3.75Å; P988-N990 PolarHBondContact O-N 2.92Å; P988-N990 VanDerWaalsContact O-N 3.15Å; P988-M991 HydrophobicContact CB-CG 4.17Å; P988-M991 HydrophobicContact CG-CG 4.45Å; P988-M991 PolarHBondContact O-N 2.97Å; P988-M991 VanDerWaalsContact O-N 3.13Å |
| 989 | C | 92.4 | Very high | 87.9 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -61.8 | -28.8 | -174.6 | 70 | 0 | 0 | 0 | 0 | 113.9 | K970 G974 Y976 I987 M991 | K970-C989 HydrophobicContact CD-CB 4.45Å; G974-C989 WeakPolarHBondContact O-CB 3.47Å; G974-C989 PolarHBondContact O-N 2.92Å; G974-C989 PolarHBondContact O-SG 3.33Å; Y976-C989 HydrophobicContact CD2-CB 3.86Å; Y976-C989 HydrophobicContact CE2-CB 3.39Å; I987-C989 PolarHBondContact O-N 3.37Å; C989-M991 PolarHBondContact O-N 2.92Å |
| 990 | N | 93.1 | Very high | 87 | Confident | 136 Ų | 136 | 63.3 Ų | 63.3 | 73% | 0.727 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -71 | -18 | -178.4 | -64.5 | -18.3 | 0 | 0 | 0 | 113.4 | P988 | P988-N990 PolarHBondContact O-N 2.92Å; P988-N990 VanDerWaalsContact O-N 3.15Å |
| 991 | M | 92.1 | Very high | 86.5 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 21% | 0.207 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -96 | -1.3 | -176.6 | -62.4 | -55.4 | -137 | 0 | 0 | 113.6 | L937 F938 Y940 F958 P988 C989 | L937-M991 PolarHBondContact N-O 3.4Å; F938-M991 HydrophobicContact CB-SD 4.26Å; F938-M991 HydrophobicContact CD2-SD 3.78Å; F938-M991 HydrophobicContact CG-SD 4.42Å; Y940-M991 HydrophobicContact CD2-CE 3.87Å; Y940-M991 HydrophobicContact CD2-CG 4.15Å; Y940-M991 HydrophobicContact CE2-CE 4.32Å; F958-M991 HydrophobicContact CE2-CB 3.95Å; F958-M991 HydrophobicContact CZ-CB 3.76Å; P988-M991 HydrophobicContact CB-CG 4.17Å; P988-M991 HydrophobicContact CG-CG 4.45Å; P988-M991 PolarHBondContact O-N 2.97Å; P988-M991 VanDerWaalsContact O-N 3.13Å; C989-M991 PolarHBondContact O-N 2.92Å |
| 992 | V | 93.1 | Very high | 86.6 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 6% | 0.061 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 146.6 | -171.6 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | F934 V935 F958 L964 Y976 I987 | F934-V992 HydrophobicContact CB-CB 4.34Å; F934-V992 HydrophobicContact CD1-CB 3.95Å; F934-V992 HydrophobicContact CD1-CG2 3.64Å; F934-V992 HydrophobicContact CE1-CG2 4.16Å; F934-V992 HydrophobicContact CG-CG2 4.49Å; V935-V992 WeakPolarHBondContact O-CA 3.38Å; F958-V992 HydrophobicContact CE1-CG1 4.48Å; F958-V992 HydrophobicContact CE2-CG1 4.12Å; F958-V992 HydrophobicContact CZ-CG1 3.88Å; L964-V992 HydrophobicContact CD1-CG1 3.69Å; Y976-V992 HydrophobicContact CD2-CG2 4.05Å; Y976-V992 HydrophobicContact CE2-CG2 4.18Å; I987-V992 HydrophobicContact CG2-CB 4.32Å; I987-V992 HydrophobicContact CG2-CG1 3.48Å; I987-V992 VanDerWaalsContact CG2-CG1 3.48Å; I987-V992 HydrophobicContact CG2-CG2 3.86Å |
| 993 | A | 92.5 | Very high | 86.5 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F934 V935 L937 | F934-A993 CarbonylContact C-O 3.6Å; F934-A993 VanDerWaalsContact CA-O 3.23Å; F934-A993 WeakPolarHBondContact CA-O 3.47Å; F934-A993 WeakPolarHBondContact CD1-O 3.43Å; V935-A993 HydrophobicContact CG1-CB 4.23Å; V935-A993 PolarHBondContact N-O 2.9Å; V935-A993 PolarHBondContact O-N 3.23Å; L937-A993 HydrophobicContact CD1-CB 4.14Å; L937-A993 HydrophobicContact CD2-CB 3.83Å; L937-A993 HydrophobicContact CG-CB 4.07Å |
| 994 | E | 92.3 | Very high | 86 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 130 | 174.5 | -176.4 | 164.9 | -153.3 | 0 | 0 | 110.9 | R932 F934 | R932-E994 WeakPolarHBondContact CG-OE1 3.42Å; R932-E994 IonicContact CZ-OE1 2.95Å; R932-E994 IonicContact CZ-OE2 2.61Å; R932-E994 IonicContact NE-OE1 3.45Å; R932-E994 PolarHBondContact NE-OE1 2.99Å; R932-E994 IonicContact NE-OE2 2.66Å; R932-E994 PolarHBondContact NE-OE2 2.93Å; R932-E994 IonicContact NH2-OE1 2.91Å; R932-E994 IonicContact NH2-OE2 2.72Å; R932-E994 PolarHBondContact NH2-OE2 2.86Å; F934-E994 HydrophobicContact CD1-CB 4.14Å; F934-E994 HydrophobicContact CD2-CB 4.45Å; F934-E994 HydrophobicContact CD2-CG 4.49Å; F934-E994 HydrophobicContact CE1-CB 3.74Å; F934-E994 HydrophobicContact CE2-CB 4.08Å; F934-E994 HydrophobicContact CE2-CG 4.09Å; F934-E994 HydrophobicContact CG-CB 4.49Å; F934-E994 HydrophobicContact CZ-CB 3.72Å; F934-E994 HydrophobicContact CZ-CG 4.18Å |
| 995 | V | 88.4 | Confident | 85.3 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | trans | -94.5 | 100.5 | 171.7 | -169.4 | 0 | 0 | 0 | 0 | 108 | I933 V935 V997 L1006 | I933-V995 HydrophobicContact CG2-CB 4.36Å; I933-V995 PolarHBondContact O-N 3.01Å; V935-V995 HydrophobicContact CB-CG2 3.89Å; V935-V995 HydrophobicContact CG1-CG2 3.71Å; V995-V997 HydrophobicContact CB-CG2 4.49Å; V995-V997 HydrophobicContact CG1-CG2 3.83Å; V995-V997 PolarHBondContact O-N 3.26Å; V995-L1006 HydrophobicContact CB-CD1 4.45Å; V995-L1006 HydrophobicContact CG1-CD1 3.82Å | ||
| 996 | A | 79.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 74% | 0.744 | 37% | 0.366 | S | S | * | . | trans | -62.6 | 109 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 997 | V | 77 | Confident | 84.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | trans | -129 | 109.1 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | V995 S999 R1003 L1006 | V995-V997 HydrophobicContact CB-CG2 4.49Å; V995-V997 HydrophobicContact CG1-CG2 3.83Å; V995-V997 PolarHBondContact O-N 3.26Å; V997-S999 VanDerWaalsContact C-N 3.3Å; V997-S999 WeakPolarHBondContact CG1-O 3.37Å; V997-S999 PolarHBondContact O-N 2.91Å; V997-R1003 HydrophobicContact CB-CG 3.76Å; V997-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 PolarHBondContact O-NE 2.87Å; V997-R1003 PolarHBondContact O-NH2 3.12Å; V997-L1006 HydrophobicContact CG2-CD1 3.72Å | ||
| 998 | D | 73.9 | Confident | 83.3 | Confident | 161 Ų | 161 | 70.8 Ų | 70.8 | 86% | 0.861 | 40% | 0.401 | S | S | * | . | trans | -78.2 | -11.5 | -175.3 | -56.9 | -40.5 | 0 | 0 | 0 | 113.9 | ||||
| 999 | S | 79.8 | Confident | 82.5 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | trans | -113 | 135.2 | 178 | 77 | 0 | 0 | 0 | 0 | 112.8 | V997 A1001 G1002 R1003 | V997-S999 VanDerWaalsContact C-N 3.3Å; V997-S999 WeakPolarHBondContact CG1-O 3.37Å; V997-S999 PolarHBondContact O-N 2.91Å; S999-A1001 PolarHBondContact O-N 3.43Å; S999-G1002 PolarHBondContact O-N 2.84Å; S999-G1002 VanDerWaalsContact O-N 3.17Å; S999-G1002 PolarHBondContact OG-N 3.21Å; S999-G1002 VanDerWaalsContact OG-N 3.08Å; S999-R1003 PolarHBondContact O-N 2.95Å | ||
| 1000 | P | 75 | Confident | 81.8 | Confident | 107 Ų | 107 | 77.3 Ų | 77.3 | 70% | 0.695 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.9 | -30.3 | 176.3 | 25.3 | -33.5 | 0 | 0 | 0 | 112.1 | R1003 Q1004 | P1000-R1003 PolarHBondContact O-N 2.64Å; P1000-Q1004 PolarHBondContact O-N 2.95Å |
| 1001 | A | 77.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 60% | 0.595 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S999 Q1004 Q1005 | S999-A1001 PolarHBondContact O-N 3.43Å; A1001-Q1004 PolarHBondContact O-N 3.36Å; A1001-Q1005 PolarHBondContact O-N 3.5Å |
| 1002 | G | 78.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 16% | 0.155 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S999 Q1004 Q1005 L1006 | S999-G1002 PolarHBondContact O-N 2.84Å; S999-G1002 VanDerWaalsContact O-N 3.17Å; S999-G1002 PolarHBondContact OG-N 3.21Å; S999-G1002 VanDerWaalsContact OG-N 3.08Å; G1002-Q1004 VanDerWaalsContact C-N 3.32Å; G1002-Q1004 PolarHBondContact O-N 3.29Å; G1002-Q1005 PolarHBondContact O-N 2.89Å; G1002-Q1005 VanDerWaalsContact O-N 3.15Å; G1002-L1006 PolarHBondContact O-N 3.17Å |
| 1003 | R | 78.8 | Confident | 78.8 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 176 | -66.3 | -176.6 | -169.9 | -157.4 | 2.2 | 111 | V931 I933 V997 S999 P1000 Q1005 L1006 L1007 | V931-R1003 PolarHBondContact O-NH1 3.25Å; I933-R1003 HydrophobicContact CD1-CB 4.45Å; I933-R1003 HydrophobicContact CG1-CB 4.03Å; I933-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 HydrophobicContact CB-CG 3.76Å; V997-R1003 HydrophobicContact CG1-CG 3.91Å; V997-R1003 PolarHBondContact O-NE 2.87Å; V997-R1003 PolarHBondContact O-NH2 3.12Å; S999-R1003 PolarHBondContact O-N 2.95Å; P1000-R1003 PolarHBondContact O-N 2.64Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.19Å; R1003-L1006 PolarHBondContact O-N 2.86Å; R1003-L1007 WeakPolarHBondContact O-CG 3.45Å; R1003-L1007 PolarHBondContact O-N 3.12Å |
| 1004 | Q | 76 | Confident | 77.1 | Confident | 126 Ų | 126 | 79 Ų | 79 | 59% | 0.589 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -69.3 | -29.1 | 179.5 | -165.1 | 157.4 | 34.2 | 0 | 0 | 113.1 | P1000 A1001 G1002 Q1008 | P1000-Q1004 PolarHBondContact O-N 2.95Å; A1001-Q1004 PolarHBondContact O-N 3.36Å; G1002-Q1004 VanDerWaalsContact C-N 3.32Å; G1002-Q1004 PolarHBondContact O-N 3.29Å; Q1004-Q1008 WeakPolarHBondContact O-CB 3.49Å; Q1004-Q1008 VanDerWaalsContact O-CG 3.31Å; Q1004-Q1008 WeakPolarHBondContact O-CG 3.43Å; Q1004-Q1008 PolarHBondContact O-N 2.8Å |
| 1005 | Q | 77.6 | Confident | 74.9 | Confident | 108 Ų | 108 | 80.6 Ų | 80.6 | 51% | 0.505 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 173.3 | -169.4 | 175.7 | 27.8 | 0 | 0 | 112.7 | A1001 G1002 R1003 Q1008 R1009 | A1001-Q1005 PolarHBondContact O-N 3.5Å; G1002-Q1005 PolarHBondContact O-N 2.89Å; G1002-Q1005 VanDerWaalsContact O-N 3.15Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.19Å; Q1005-Q1008 PolarHBondContact O-N 3.47Å; Q1005-R1009 PolarHBondContact O-N 2.91Å |
| 1006 | L | 81.9 | Confident | 73.1 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.6 | -45.2 | 172.9 | -67 | -176.6 | 0 | 0 | 0 | 111.5 | I933 V995 V997 G1002 R1003 Q1008 R1009 G1010 L1012 | I933-L1006 HydrophobicContact CG2-CD1 4.08Å; V995-L1006 HydrophobicContact CB-CD1 4.45Å; V995-L1006 HydrophobicContact CG1-CD1 3.82Å; V997-L1006 HydrophobicContact CG2-CD1 3.72Å; G1002-L1006 PolarHBondContact O-N 3.17Å; R1003-L1006 PolarHBondContact O-N 2.86Å; L1006-Q1008 VanDerWaalsContact C-N 3.29Å; L1006-Q1008 PolarHBondContact O-N 3.07Å; L1006-R1009 PolarHBondContact O-N 3.29Å; L1006-G1010 PolarHBondContact O-N 3.48Å; L1006-L1012 HydrophobicContact CD2-CD1 4.07Å; L1006-L1012 HydrophobicContact CD2-CD2 3.8Å; L1006-L1012 HydrophobicContact CD2-CG 4.21Å |
| 1007 | L | 80.6 | Confident | 71.8 | Confident | 65 Ų | 65 | 85 Ų | 85 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -33.9 | 176.1 | -69.5 | 172.7 | 0 | 0 | 0 | 113 | I933 I963 K965 R1003 R1009 | I933-L1007 HydrophobicContact CD1-CD1 3.91Å; I933-L1007 HydrophobicContact CD1-CD2 3.88Å; I933-L1007 HydrophobicContact CD1-CG 3.86Å; I963-L1007 HydrophobicContact CG2-CD2 4Å; K965-L1007 HydrophobicContact CD-CD2 4.29Å; K965-L1007 HydrophobicContact CG-CD2 3.57Å; R1003-L1007 WeakPolarHBondContact O-CG 3.45Å; R1003-L1007 PolarHBondContact O-N 3.12Å; L1007-R1009 VanDerWaalsContact C-N 3.35Å |
| 1008 | Q | 76.4 | Confident | 70.2 | Confident | 158 Ų | 158 | 88.1 Ų | 88.1 | 74% | 0.738 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.3 | -26.4 | 172.9 | -77.6 | 176.2 | 40 | 0 | 0 | 113.7 | Q1004 Q1005 L1006 | Q1004-Q1008 WeakPolarHBondContact O-CB 3.49Å; Q1004-Q1008 VanDerWaalsContact O-CG 3.31Å; Q1004-Q1008 WeakPolarHBondContact O-CG 3.43Å; Q1004-Q1008 PolarHBondContact O-N 2.8Å; Q1005-Q1008 PolarHBondContact O-N 3.47Å; L1006-Q1008 VanDerWaalsContact C-N 3.29Å; L1006-Q1008 PolarHBondContact O-N 3.07Å |
| 1009 | R | 77.2 | Confident | 68.2 | Low | 150 Ų | 150 | 90.1 Ų | 90.1 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -78.6 | -33.5 | 173.6 | -77.7 | -178.9 | 167.5 | 146.5 | -3.2 | 112.2 | Q1005 L1006 L1007 Y1011 | Q1005-R1009 PolarHBondContact O-N 2.91Å; L1006-R1009 PolarHBondContact O-N 3.29Å; L1007-R1009 VanDerWaalsContact C-N 3.35Å; R1009-Y1011 PolarHBondContact O-N 2.82Å |
| 1010 | G | 77.9 | Confident | 66.1 | Low | 32 Ų | 32 | 90.4 Ų | 90.4 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | trans | 68 | -15.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I963 L1006 | I963-G1010 PolarHBondContact N-O 3.47Å; L1006-G1010 PolarHBondContact O-N 3.48Å | ||
| 1011 | Y | 81.9 | Confident | 63.9 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -146.1 | 140.6 | -177.4 | -131.9 | -86.4 | 0 | 0 | 0 | 109.8 | R959 E960 G961 Q962 R1009 | R959-Y1011 HydrophobicContact CB-CE2 4.34Å; R959-Y1011 WeakPolarHBondContact CB-OH 3.4Å; E960-Y1011 WeakPolarHBondContact O-CE1 3.38Å; E960-Y1011 PolarHBondContact O-OH 2.84Å; G961-Y1011 CarbonylContact O-C 3.53Å; G961-Y1011 WeakPolarHBondContact O-CA 3.5Å; Q962-Y1011 HydrophobicContact CB-CD2 4.26Å; Q962-Y1011 HydrophobicContact CB-CE2 4.01Å; R1009-Y1011 PolarHBondContact O-N 2.82Å |
| 1012 | L | 78.7 | Confident | 61.7 | Low | 18 Ų | 18 | 90.5 Ų | 90.5 | 9% | 0.094 | 49% | 0.49 | C | S | . | . | trans | -116 | 121 | 166.3 | -77.3 | -179 | 0 | 0 | 0 | 108.6 | V935 G961 I963 L1006 | V935-L1012 HydrophobicContact CG2-CB 4.29Å; G961-L1012 VanDerWaalsContact CA-O 3.24Å; G961-L1012 WeakPolarHBondContact CA-O 3.36Å; G961-L1012 PolarHBondContact O-N 3.3Å; I963-L1012 HydrophobicContact CD1-CB 4.22Å; I963-L1012 HydrophobicContact CD1-CD1 3.54Å; I963-L1012 HydrophobicContact CD1-CG 3.61Å; I963-L1012 HydrophobicContact CG1-CG 4.12Å; L1006-L1012 HydrophobicContact CD2-CD1 4.07Å; L1006-L1012 HydrophobicContact CD2-CD2 3.8Å; L1006-L1012 HydrophobicContact CD2-CG 4.21Å | ||
| 1013 | S | 55.8 | Low | 59.4 | Low | 68 Ų | 68 | 101 Ų | 101 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | trans | -64.6 | 138.9 | 169.7 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | D1015 I1016 | S1013-D1015 PolarHBondContact O-N 3.02Å; S1013-I1016 PolarHBondContact O-N 2.75Å | ||
| 1014 | P | 56.3 | Low | 56.9 | Low | 70 Ų | 70 | 102.5 Ų | 102.5 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -52.1 | -28.4 | 179.2 | -29.9 | 36 | 0 | 0 | 0 | 114.3 | I1016 L1017 | P1014-I1016 PolarHBondContact O-N 3.11Å; P1014-L1017 PolarHBondContact O-N 2.74Å; P1014-L1017 VanDerWaalsContact O-N 3.11Å |
| 1015 | D | 45.3 | Very low | 54.9 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 69% | 0.69 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -59.9 | -23.3 | 177.4 | -60.2 | -40.9 | 0 | 0 | 0 | 114.4 | S1013 L1018 | S1013-D1015 PolarHBondContact O-N 3.02Å; D1015-L1018 WeakPolarHBondContact O-CB 3.5Å; D1015-L1018 PolarHBondContact O-N 2.98Å |
| 1016 | I | 51.4 | Low | 52.6 | Low | 114 Ų | 114 | 100.8 Ų | 100.8 | 59% | 0.585 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -84.6 | -19.5 | 178.7 | -62.5 | -176.7 | 0 | 0 | 0 | 112.1 | S1013 P1014 L1018 | S1013-I1016 PolarHBondContact O-N 2.75Å; P1014-I1016 PolarHBondContact O-N 3.11Å; I1016-L1018 PolarHBondContact O-N 2.94Å |
| 1017 | L | 51.6 | Low | 50.6 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -76.1 | -7.1 | 167.8 | -88.4 | 163.7 | 0 | 0 | 0 | 112.7 | V935 P1014 | V935-L1017 HydrophobicContact CG1-CD1 4.17Å; P1014-L1017 PolarHBondContact O-N 2.74Å; P1014-L1017 VanDerWaalsContact O-N 3.11Å |
| 1018 | L | 42.1 | Very low | 48.3 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 46% | 0.461 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -90.4 | -14.3 | -170.2 | -157.8 | 60.8 | 0 | 0 | 0 | 115 | D1015 I1016 G1020 A1022 | D1015-L1018 WeakPolarHBondContact O-CB 3.5Å; D1015-L1018 PolarHBondContact O-N 2.98Å; I1016-L1018 PolarHBondContact O-N 2.94Å; L1018-G1020 PolarHBondContact O-N 3.03Å; L1018-A1022 HydrophobicContact CD1-CB 3.61Å; L1018-A1022 HydrophobicContact CG-CB 4.29Å |
| 1019 | E | 32.5 | Very low | 46.2 | Very low | 204 Ų | 204 | 105.5 Ų | 105.5 | 95% | 0.953 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 49.4 | 159.2 | -83.8 | -162.1 | 137.2 | 0 | 0 | 110.9 | ||
| 1020 | G | 36.7 | Very low | 44 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.8 | 23.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1018 | L1018-G1020 PolarHBondContact O-N 3.03Š|
| 1021 | S | 28.3 | Very low | 41.6 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | 86 | 124.5 | -176.1 | -160.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1022 | A | 30.9 | Very low | 39.1 | Very low | 65 Ų | 65 | 115.1 Ų | 115.1 | 54% | 0.537 | 66% | 0.657 | S | S | . | * | trans | -107.1 | 128.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1018 | L1018-A1022 HydrophobicContact CD1-CB 3.61Å; L1018-A1022 HydrophobicContact CG-CB 4.29Å | ||
| 1023 | R | 30 | Very low | 37.1 | Very low | 236 Ų | 236 | 125 Ų | 125 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | 24.8 | 109.2 | 149 | -61.5 | -176.1 | 175.1 | -158.4 | -4.3 | 118.5 | ||||
| 1024 | T | 25.5 | Very low | 35.8 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 71% | 0.71 | S | S | * | * | trans | -111.4 | 139.9 | 136.4 | 13.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1025 | T | 34.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -79.5 | 133.1 | 171 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1026 | G | 29.3 | Very low | 33.7 | Very low | 53 Ų | 53 | 137.4 Ų | 137.4 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | S | Bend | trans | 89.3 | 147.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1028 | G1026-P1028 WeakPolarHBondContact O-CD 3.39Š|
| 1027 | P | 39.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -89.3 | 107.6 | -171.9 | 32.9 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 1028 | P | 31.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 140.3 Ų | 140.3 | 60% | 0.604 | 76% | 0.762 | S | S | * | * | trans | -148.1 | 174.1 | 146.2 | 40.1 | -26.4 | 0 | 0 | 0 | 114 | G1026 | G1026-P1028 WeakPolarHBondContact O-CD 3.39Š| ||
| 1029 | P | 32.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 141 Ų | 141 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | cis | -128.1 | 167.1 | -32 | 35.9 | -21.1 | 0 | 0 | 0 | 112.7 | P1031 | P1029-P1031 WeakPolarHBondContact O-CD 3.33Š| ||
| 1030 | K | 31 | Very low | 30.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -68.4 | 123.5 | 168.8 | -68.3 | -179.6 | -178.5 | 178 | 0 | 110.9 | R1032 Y1106 | K1030-R1032 PolarHBondContact O-N 3.45Å; K1030-Y1106 PolarHBondContact NZ-OH 2.94Å; K1030-Y1106 VanDerWaalsContact NZ-OH 3.15Å | ||
| 1031 | P | 26.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -76.2 | 116.9 | 178.6 | 28.7 | -33.2 | 0 | 0 | 0 | 112.4 | P1029 R1033 | P1029-P1031 WeakPolarHBondContact O-CD 3.33Å; P1031-R1033 PolarHBondContact O-N 2.82Å | ||
| 1032 | R | 30.1 | Very low | 30.1 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | -88 | 103.5 | 176.2 | -129.1 | 177.3 | -177.1 | 167.2 | 2.3 | 111.1 | K1030 E1108 | K1030-R1032 PolarHBondContact O-N 3.45Å; R1032-E1108 IonicContact NH2-OE1 3.23Å; R1032-E1108 IonicContact NH2-OE2 2.7Å | ||
| 1033 | R | 36.2 | Very low | 29.9 | Very low | 225 Ų | 225 | 142.6 Ų | 142.6 | 85% | 0.849 | 79% | 0.788 | S | S | * | * | trans | 65 | 123.9 | 143.2 | -160.7 | -179.4 | -164.6 | -177.4 | 6.2 | 120.9 | P1031 | P1031-R1033 PolarHBondContact O-N 2.82Š| ||
| 1034 | S | 29.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -147 | 100.3 | 145 | -76 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1035 | K | 30.5 | Very low | 30.1 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | 58.8 | 89.8 | 82.2 | -152.2 | -179 | -169.3 | -175.9 | 0 | 111.9 | |||||
| 1036 | K | 27.1 | Very low | 29.9 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | trans | -103.6 | 132.8 | 165.5 | -173.6 | 173.8 | -177.3 | 178.1 | 0 | 108.8 | ||||
| 1037 | A | 27.1 | Very low | 30.3 | Very low | 82 Ų | 82 | 140.7 Ų | 140.7 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -127.1 | 132 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1038 | E | 26.5 | Very low | 29.7 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | 37 | 164 | 150.8 | -76.8 | 177.6 | 97.8 | 0 | 0 | 125.4 | ||||
| 1039 | S | 26.5 | Very low | 30.3 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | 67.2 | 133.7 | 179.6 | -94.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1040 | E | 23.3 | Very low | 30.7 | Very low | 181 Ų | 181 | 139 Ų | 139 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | cis | -159.8 | 164.3 | -10.7 | -134.7 | 172.4 | 148.1 | 0 | 0 | 109.1 | ||||
| 1041 | G | 23.6 | Very low | 30.4 | Very low | 66 Ų | 66 | 140.7 Ų | 140.7 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -84.2 | -158 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1042 | P | 40.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 143 Ų | 143 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | cis | -105.7 | -163.9 | -3.9 | 42.5 | -31.5 | 0 | 0 | 0 | 110.5 | ||||
| 1043 | A | 26.3 | Very low | 30.6 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | cis | -150.8 | -175 | 10.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1044 | Q | 28.5 | Very low | 30.8 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 72% | 0.715 | 81% | 0.805 | S | S | * | * | trans | -123.6 | 159.6 | 176.9 | -137.7 | 173.7 | -9.4 | 0 | 0 | 109.2 | C1046 | Q1044-C1046 PolarHBondContact NE2-SG 3.33Š| ||
| 1045 | P | 30.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | -140.9 | 136.7 | 96.4 | 30.6 | -13.8 | 0 | 0 | 0 | 114.9 | |||||
| 1046 | C | 31.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | trans | -95.8 | 162.9 | 166.9 | -68 | 0 | 0 | 0 | 0 | 111.1 | Q1044 | Q1044-C1046 PolarHBondContact NE2-SG 3.33Š| ||
| 1047 | P | 37.3 | Very low | 31.6 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | -139.9 | 163.8 | 97.5 | 38.3 | -26.1 | 0 | 0 | 0 | 112.4 | |||||
| 1048 | G | 27.3 | Very low | 32.5 | Very low | 65 Ų | 65 | 131.9 Ų | 131.9 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | cis | -174.7 | 166.1 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1049 | P | 45.9 | Very low | 34 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -90.4 | -179.9 | -160.8 | 39.6 | -39 | 0 | 0 | 0 | 113.9 | ||||
| 1050 | P | 39.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -137.3 | -167.2 | 23.9 | 45.9 | -26 | 0 | 0 | 0 | 114.2 | ||||
| 1051 | K | 25.6 | Very low | 39 | Very low | 198 Ų | 198 | 122.5 Ų | 122.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | cis | -157 | 139.4 | 3.3 | -143.9 | 171.9 | -174.4 | -175.4 | 0 | 106.5 | ||||
| 1052 | L | 31 | Very low | 41.9 | Very low | 178 Ų | 178 | 122 Ų | 122 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | trans | -113.1 | 143 | 169.3 | -82.2 | 170.3 | 0 | 0 | 0 | 110.3 | ||||
| 1053 | V | 29.2 | Very low | 44.2 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 86% | 0.861 | 72% | 0.723 | S | S | * | * | trans | -106.4 | 141.8 | 177.2 | -93.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1054 | P | 40.1 | Very low | 47.2 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | trans | -104.5 | 153.6 | -177.8 | 38.9 | -33.6 | 0 | 0 | 0 | 114.2 | ||||
| 1055 | S | 32.6 | Very low | 50.2 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 85% | 0.846 | 67% | 0.671 | S | S | * | * | trans | 179.4 | 155 | 155.4 | -91.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1056 | A | 34.6 | Very low | 53.1 | Low | 88 Ų | 88 | 103.7 Ų | 103.7 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | cis | -174.6 | 145.6 | -22.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1057 | D | 36.6 | Very low | 55.8 | Low | 155 Ų | 155 | 101.1 Ų | 101.1 | 83% | 0.829 | 62% | 0.617 | S | S | * | * | cis | -156.1 | 166.1 | -31.1 | -147.2 | -58.8 | 0 | 0 | 0 | 109.7 | ||||
| 1058 | L | 46.8 | Very low | 58.2 | Low | 168 Ų | 168 | 100.6 Ų | 100.6 | 88% | 0.88 | 60% | 0.601 | S | S | * | * | trans | -98.6 | 91.8 | 179.8 | -75.1 | 176.7 | 0 | 0 | 0 | 111.4 | A1060 | L1058-A1060 PolarHBondContact O-N 2.89Š| ||
| 1059 | K | 58.3 | Low | 61.1 | Low | 127 Ų | 127 | 101.9 Ų | 101.9 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124.3 | 173.4 | -122.4 | -178.3 | -179.6 | -170.5 | 0 | 110.8 | ||
| 1060 | A | 71.5 | Confident | 63.2 | Low | 73 Ų | 73 | 96.3 Ų | 96.3 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1058 H1062 | L1058-A1060 PolarHBondContact O-N 2.89Å; A1060-H1062 PolarHBondContact O-N 3.05Å |
| 1061 | P | 82.9 | Confident | 65.5 | Low | 81 Ų | 81 | 93.5 Ų | 93.5 | 53% | 0.526 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 130.8 | 179.6 | -21.3 | 32.8 | 0 | 0 | 0 | 111 | T1094 V1095 F1096 | P1061-T1094 HydrophobicContact CB-CG2 4.16Å; P1061-V1095 CarbonylContact C-O 3.44Å; P1061-V1095 WeakPolarHBondContact CA-O 3.3Å; P1061-F1096 HydrophobicContact CB-CD1 3.68Å; P1061-F1096 HydrophobicContact CB-CE1 3.77Å; P1061-F1096 HydrophobicContact CB-CG 4.4Å; P1061-F1096 HydrophobicContact CG-CD1 3.57Å; P1061-F1096 HydrophobicContact CG-CE1 3.8Å |
| 1062 | H | 84.1 | Confident | 68.4 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 26% | 0.264 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.4 | -176.3 | 52.8 | 60.4 | 0 | 0 | 0 | 111.2 | A1060 V1095 | A1060-H1062 PolarHBondContact O-N 3.05Å; H1062-V1095 PolarHBondContact N-O 3.44Å; H1062-V1095 PolarHBondContact O-N 3.47Å |
| 1063 | S | 89.3 | Confident | 70.6 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.5 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | I1093 P1124 | S1063-I1093 CarbonylContact C-O 3.56Å; S1063-I1093 WeakPolarHBondContact CA-O 3.42Å; S1063-P1124 WeakPolarHBondContact O-CD 3.36Å; S1063-P1124 VanDerWaalsContact O-CG 3.24Å; S1063-P1124 WeakPolarHBondContact O-CG 3.44Å |
| 1064 | M | 89.4 | Confident | 72.9 | Confident | 21 Ų | 21 | 82.9 Ų | 82.9 | 10% | 0.103 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.1 | 171.1 | -61.2 | -175.6 | 72 | 0 | 0 | 108.1 | V1092 I1093 V1095 Y1105 L1121 | M1064-V1092 CarbonylContact O-C 3.51Å; M1064-V1092 WeakPolarHBondContact O-CA 3.24Å; M1064-I1093 PolarHBondContact N-O 3.43Å; M1064-I1093 PolarHBondContact O-N 2.85Å; M1064-V1095 HydrophobicContact CG-CG2 4.28Å; M1064-V1095 HydrophobicContact SD-CB 4.41Å; M1064-V1095 HydrophobicContact SD-CG2 3.95Å; M1064-Y1105 HydrophobicContact CE-CE2 4.4Å; M1064-Y1105 HydrophobicContact SD-CE2 4.17Å; M1064-L1121 HydrophobicContact CB-CB 4.13Å; M1064-L1121 HydrophobicContact CB-CD1 4.05Å; M1064-L1121 HydrophobicContact CE-CB 3.74Å; M1064-L1121 HydrophobicContact CE-CD1 4.37Å; M1064-L1121 HydrophobicContact SD-CB 4.34Å; M1064-L1121 HydrophobicContact SD-CD1 3.91Å |
| 1065 | V | 90.8 | Very high | 74.4 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.7 | -178.6 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | A1067 D1091 V1092 L1121 E1122 | V1065-A1067 PolarHBondContact O-N 3.25Å; V1065-D1091 CarbonylContact C-O 3.41Å; V1065-D1091 WeakPolarHBondContact CA-O 3.45Å; V1065-V1092 HydrophobicContact CG2-CG2 4.46Å; V1065-L1121 WeakPolarHBondContact O-CA 3.3Å; V1065-E1122 PolarHBondContact N-O 3.38Å; V1065-E1122 PolarHBondContact O-N 3.44Å |
| 1066 | A | 91.6 | Very high | 76.4 | Confident | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.025 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 122.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1087 R1088 G1090 D1091 I1093 F1120 | A1066-F1087 HydrophobicContact CB-CD2 3.42Å; A1066-F1087 VanDerWaalsContact CB-CD2 3.42Å; A1066-F1087 HydrophobicContact CB-CE2 3.77Å; A1066-F1087 HydrophobicContact CB-CG 4.37Å; A1066-R1088 VanDerWaalsContact CB-O 3.24Å; A1066-R1088 WeakPolarHBondContact CB-O 3.34Å; A1066-G1090 PolarHBondContact O-N 2.87Å; A1066-D1091 HydrophobicContact CB-CB 4.37Å; A1066-D1091 PolarHBondContact N-O 2.83Å; A1066-I1093 HydrophobicContact CB-CD1 4.03Å; A1066-F1120 CarbonylContact C-O 3.55Å; A1066-F1120 WeakPolarHBondContact CA-O 3.4Å |
| 1067 | A | 87.6 | Confident | 78 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -79.7 | -26.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1065 F1120 E1122 | V1065-A1067 PolarHBondContact O-N 3.25Å; A1067-F1120 PolarHBondContact N-O 3.44Å; A1067-E1122 HydrophobicContact CB-CB 4.45Å |
| 1068 | F | 88.5 | Confident | 79.7 | Confident | 126 Ų | 126 | 73.5 Ų | 73.5 | 55% | 0.553 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -137.2 | 161 | -176.3 | -52.7 | -71.5 | 0 | 0 | 0 | 111 | A1089 F1120 | F1068-A1089 PolarHBondContact O-N 3.24Å; F1068-F1120 HydrophobicContact CB-CD1 3.85Å; F1068-F1120 HydrophobicContact CB-CE1 4.23Å |
| 1069 | D | 88.4 | Confident | 80.4 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | trans | -69.3 | 143 | 168.7 | -69 | -27.5 | 0 | 0 | 0 | 110 | R1088 A1089 | D1069-R1088 WeakPolarHBondContact OD1-CA 3.32Å; D1069-R1088 VanDerWaalsContact OD1-CB 3.28Å; D1069-R1088 WeakPolarHBondContact OD1-CB 3.27Å; D1069-R1088 IonicContact OD2-NH1 3.86Å; D1069-A1089 PolarHBondContact OD1-N 3.14Å | ||
| 1070 | Y | 89.6 | Confident | 80.8 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -138.9 | 121.9 | 176.7 | -176.3 | -114.1 | 0 | 0 | 0 | 111.4 | P1072 E1084 F1087 P1117 F1120 | Y1070-P1072 HydrophobicContact CD1-CG 4.29Å; Y1070-P1072 HydrophobicContact CE1-CG 3.89Å; Y1070-E1084 HydrophobicContact CE1-CB 4.48Å; Y1070-E1084 PolarHBondContact OH-OE2 3.01Å; Y1070-F1087 VanDerWaalsContact CB-CE2 3.43Å; Y1070-F1087 HydrophobicContact CD1-CD1 4.12Å; Y1070-F1087 AromaticContact CD1-CE1 3.46Å; Y1070-F1087 HydrophobicContact CD1-CE1 3.46Å; Y1070-F1087 VanDerWaalsContact CD1-CE1 3.46Å; Y1070-F1087 AromaticContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CE1-CE1 4.36Å; Y1070-F1087 AromaticContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE2 4.35Å; Y1070-F1087 AromaticContact CG-CZ 3.77Å; Y1070-F1087 HydrophobicContact CG-CZ 3.77Å; Y1070-F1087 PolarHBondContact N-O 3.25Å; Y1070-F1087 PolarHBondContact O-N 3.21Å; Y1070-F1087 VanDerWaalsContact O-N 3.13Å; Y1070-F1087 VanDerWaalsContact O-O 3.13Å; Y1070-P1117 HydrophobicContact CD1-CG 4.27Å; Y1070-P1117 HydrophobicContact CD2-CG 4.28Å; Y1070-P1117 HydrophobicContact CE1-CG 3.67Å; Y1070-P1117 HydrophobicContact CE2-CG 3.72Å; Y1070-P1117 WeakPolarHBondContact OH-CG 3.39Å; Y1070-F1120 HydrophobicContact CD2-CD1 4.13Å; Y1070-F1120 AromaticContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE2 4.44Å; Y1070-F1120 HydrophobicContact CD2-CZ 4.03Å; Y1070-F1120 HydrophobicContact CG-CD1 4.4Å |
| 1071 | N | 86.4 | Confident | 81 | Confident | 56 Ų | 56 | 72.1 Ų | 72.1 | 30% | 0.299 | 40% | 0.395 | S | S | . | . | trans | -121.6 | 106.3 | 176.4 | -176.8 | 8 | 0 | 0 | 0 | 109.4 | Q1073 E1074 S1075 | N1071-Q1073 PolarHBondContact O-N 3.24Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 2.91Å; N1071-E1074 HydrophobicContact CB-CB 4.39Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.32Å; N1071-E1074 PolarHBondContact ND2-OE2 3.44Å; N1071-E1074 PolarHBondContact O-N 2.92Å; N1071-S1075 WeakPolarHBondContact O-CB 3.49Å; N1071-S1075 PolarHBondContact O-N 3.32Å | ||
| 1072 | P | 86.3 | Confident | 80.7 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 3% | 0.032 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -52.2 | -35.2 | -179.6 | -30.3 | 36.7 | 0 | 0 | 0 | 114 | Y1070 E1074 S1076 V1081 E1084 P1086 | Y1070-P1072 HydrophobicContact CD1-CG 4.29Å; Y1070-P1072 HydrophobicContact CE1-CG 3.89Å; P1072-E1074 VanDerWaalsContact C-N 3.26Å; P1072-E1074 PolarHBondContact O-N 3.48Å; P1072-S1076 WeakPolarHBondContact O-CB 3.27Å; P1072-S1076 PolarHBondContact O-N 2.94Å; P1072-S1076 VanDerWaalsContact O-N 3.13Å; P1072-V1081 HydrophobicContact CB-CB 4.18Å; P1072-V1081 WeakPolarHBondContact O-CG1 3.36Å; P1072-E1084 HydrophobicContact CB-CB 3.92Å; P1072-E1084 HydrophobicContact CG-CB 3.72Å; P1072-P1086 HydrophobicContact CG-CB 4.48Å |
| 1073 | Q | 77.8 | Confident | 80.5 | Confident | 133 Ų | 133 | 76.9 Ų | 76.9 | 62% | 0.621 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.8 | -18.2 | -178.2 | -58.7 | -66.1 | -41.4 | 0 | 0 | 114.3 | N1071 | N1071-Q1073 PolarHBondContact O-N 3.24Å; N1071-Q1073 VanDerWaalsContact O-N 3.11Å; N1071-Q1073 PolarHBondContact OD1-N 2.91Å |
| 1074 | E | 78.3 | Confident | 80.6 | Confident | 158 Ų | 158 | 74.8 Ų | 74.8 | 74% | 0.738 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -120 | -22.3 | -176.2 | -68 | 171.3 | 160.6 | 0 | 0 | 112.7 | N1071 P1072 | N1071-E1074 HydrophobicContact CB-CB 4.39Å; N1071-E1074 WeakPolarHBondContact ND2-CG 3.32Å; N1071-E1074 PolarHBondContact ND2-OE2 3.44Å; N1071-E1074 PolarHBondContact O-N 2.92Å; P1072-E1074 VanDerWaalsContact C-N 3.26Å; P1072-E1074 PolarHBondContact O-N 3.48Å |
| 1075 | S | 71.5 | Confident | 80.6 | Confident | 67 Ų | 67 | 74 Ų | 74 | 47% | 0.469 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -121.4 | -5.1 | -170.8 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | N1071 | N1071-S1075 WeakPolarHBondContact O-CB 3.49Å; N1071-S1075 PolarHBondContact O-N 3.32Å |
| 1076 | S | 74.9 | Confident | 80.6 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 15% | 0.147 | 40% | 0.403 | C | S | . | . | trans | -95.3 | 131.1 | 175.8 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | P1072 N1078 E1084 | P1072-S1076 WeakPolarHBondContact O-CB 3.27Å; P1072-S1076 PolarHBondContact O-N 2.94Å; P1072-S1076 VanDerWaalsContact O-N 3.13Å; S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 WeakPolarHBondContact OG-CB 3.42Å; S1076-N1078 PolarHBondContact OG-N 3.42Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.41Å; S1076-E1084 PolarHBondContact OG-OE1 3.16Å; S1076-E1084 PolarHBondContact OG-OE2 3.13Å | ||
| 1077 | P | 68.7 | Low | 80.6 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 81% | 0.812 | 40% | 0.404 | S | S | * | . | trans | -81.2 | -5.1 | 168.2 | 34.8 | -34.5 | 0 | 0 | 0 | 112.6 | ||||
| 1078 | N | 70.3 | Confident | 80.7 | Confident | 73 Ų | 73 | 81 Ų | 81 | 39% | 0.39 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -83.5 | 144.1 | -176.5 | -63.2 | -36.4 | 0 | 0 | 0 | 111.4 | S1076 D1080 V1081 E1084 | S1076-N1078 VanDerWaalsContact C-N 3.25Å; S1076-N1078 WeakPolarHBondContact OG-CB 3.42Å; S1076-N1078 PolarHBondContact OG-N 3.42Å; N1078-D1080 VanDerWaalsContact C-N 3.27Å; N1078-D1080 PolarHBondContact O-N 2.91Å; N1078-V1081 WeakPolarHBondContact O-CG1 3.37Å; N1078-E1084 PolarHBondContact ND2-OE1 3.5Å |
| 1079 | M | 62.7 | Low | 80.7 | Confident | 185 Ų | 185 | 77.7 Ų | 77.7 | 91% | 0.911 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -68 | -26.9 | 171.9 | -76.9 | 177.5 | 54.8 | 0 | 0 | 112.9 | V1081 | M1079-V1081 VanDerWaalsContact C-N 3.28Å; M1079-V1081 PolarHBondContact O-N 3.27Å |
| 1080 | D | 66.1 | Low | 80.5 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 66% | 0.663 | 42% | 0.415 | S | S | * | . | trans | -89.8 | 45.4 | -176.1 | -67.8 | -41.6 | 0 | 0 | 0 | 113.2 | N1078 E1082 A1083 | N1078-D1080 VanDerWaalsContact C-N 3.27Å; N1078-D1080 PolarHBondContact O-N 2.91Å; D1080-E1082 PolarHBondContact O-N 2.92Å; D1080-A1083 WeakPolarHBondContact O-CB 3.36Å; D1080-A1083 PolarHBondContact O-N 3.09Å | ||
| 1081 | V | 76.4 | Confident | 80.7 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -19.8 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 115 | P1072 N1078 M1079 A1083 | P1072-V1081 HydrophobicContact CB-CB 4.18Å; P1072-V1081 WeakPolarHBondContact O-CG1 3.36Å; N1078-V1081 WeakPolarHBondContact O-CG1 3.37Å; M1079-V1081 VanDerWaalsContact C-N 3.28Å; M1079-V1081 PolarHBondContact O-N 3.27Å; V1081-A1083 VanDerWaalsContact C-N 3.35Å |
| 1082 | E | 75.9 | Confident | 80.9 | Confident | 189 Ų | 189 | 78.5 Ų | 78.5 | 88% | 0.883 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -19.1 | 175.9 | -59.8 | -168.4 | 169.6 | 0 | 0 | 113.7 | D1080 | D1080-E1082 PolarHBondContact O-N 2.92Š|
| 1083 | A | 80.5 | Confident | 81.2 | Confident | 49 Ų | 49 | 78.2 Ų | 78.2 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -83.7 | -16.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1080 V1081 G1114 L1115 | D1080-A1083 WeakPolarHBondContact O-CB 3.36Å; D1080-A1083 PolarHBondContact O-N 3.09Å; V1081-A1083 VanDerWaalsContact C-N 3.35Å; A1083-G1114 CarbonylContact O-C 3.52Å; A1083-G1114 WeakPolarHBondContact O-CA 3.45Å; A1083-L1115 PolarHBondContact O-N 3.33Å |
| 1084 | E | 90.1 | Very high | 81.8 | Confident | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.056 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -92.9 | 147.3 | -178.2 | -69.5 | 169.8 | -172.9 | 0 | 0 | 111.8 | Y1070 P1072 S1076 N1078 L1115 | Y1070-E1084 HydrophobicContact CE1-CB 4.48Å; Y1070-E1084 PolarHBondContact OH-OE2 3.01Å; P1072-E1084 HydrophobicContact CB-CB 3.92Å; P1072-E1084 HydrophobicContact CG-CB 3.72Å; S1076-E1084 WeakPolarHBondContact CB-OE2 3.41Å; S1076-E1084 PolarHBondContact OG-OE1 3.16Å; S1076-E1084 PolarHBondContact OG-OE2 3.13Å; N1078-E1084 PolarHBondContact ND2-OE1 3.5Å; E1084-L1115 WeakPolarHBondContact CA-O 3.27Å; E1084-L1115 HydrophobicContact CG-CB 4.19Å |
| 1085 | L | 89.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -95.8 | 119.4 | -173.9 | -168.8 | 67.6 | 0 | 0 | 0 | 110.1 | F1087 I1093 L1109 Q1112 L1115 V1116 | L1085-F1087 WeakPolarHBondContact O-CD1 3.39Å; L1085-F1087 WeakPolarHBondContact O-CE1 3.45Å; L1085-I1093 HydrophobicContact CD2-CG2 4.44Å; L1085-L1109 HydrophobicContact CD2-CB 3.72Å; L1085-L1109 HydrophobicContact CG-CB 4.36Å; L1085-Q1112 HydrophobicContact CD1-CB 3.67Å; L1085-L1115 PolarHBondContact N-O 2.8Å; L1085-V1116 HydrophobicContact CB-CG2 3.82Å; L1085-V1116 HydrophobicContact CD2-CG2 3.67Å; L1085-V1116 HydrophobicContact CG-CG2 4.39Å |
| 1086 | P | 90.4 | Very high | 83.2 | Confident | 61 Ų | 61 | 66 Ų | 66 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 138.1 | 171.1 | 28.9 | -33.2 | 0 | 0 | 0 | 111 | P1072 | P1072-P1086 HydrophobicContact CG-CB 4.48Š|
| 1087 | F | 91.6 | Very high | 83.7 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -153.6 | 163.5 | 178.6 | 56.1 | -98.6 | 0 | 0 | 0 | 112.1 | A1066 Y1070 L1085 D1091 I1093 L1109 V1116 F1120 | A1066-F1087 HydrophobicContact CB-CD2 3.42Å; A1066-F1087 VanDerWaalsContact CB-CD2 3.42Å; A1066-F1087 HydrophobicContact CB-CE2 3.77Å; A1066-F1087 HydrophobicContact CB-CG 4.37Å; Y1070-F1087 VanDerWaalsContact CB-CE2 3.43Å; Y1070-F1087 HydrophobicContact CD1-CD1 4.12Å; Y1070-F1087 AromaticContact CD1-CE1 3.46Å; Y1070-F1087 HydrophobicContact CD1-CE1 3.46Å; Y1070-F1087 VanDerWaalsContact CD1-CE1 3.46Å; Y1070-F1087 AromaticContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CD1-CZ 3.81Å; Y1070-F1087 HydrophobicContact CE1-CE1 4.36Å; Y1070-F1087 AromaticContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE1 3.92Å; Y1070-F1087 HydrophobicContact CG-CE2 4.35Å; Y1070-F1087 AromaticContact CG-CZ 3.77Å; Y1070-F1087 HydrophobicContact CG-CZ 3.77Å; Y1070-F1087 PolarHBondContact N-O 3.25Å; Y1070-F1087 PolarHBondContact O-N 3.21Å; Y1070-F1087 VanDerWaalsContact O-N 3.13Å; Y1070-F1087 VanDerWaalsContact O-O 3.13Å; L1085-F1087 WeakPolarHBondContact O-CD1 3.39Å; L1085-F1087 WeakPolarHBondContact O-CE1 3.45Å; F1087-D1091 HydrophobicContact CB-CB 4.34Å; F1087-I1093 HydrophobicContact CB-CD1 3.89Å; F1087-I1093 HydrophobicContact CD1-CD1 3.71Å; F1087-I1093 HydrophobicContact CD2-CD1 3.88Å; F1087-I1093 HydrophobicContact CE1-CD1 4.2Å; F1087-I1093 HydrophobicContact CE2-CD1 4.31Å; F1087-I1093 HydrophobicContact CG-CD1 3.55Å; F1087-I1093 HydrophobicContact CZ-CD1 4.46Å; F1087-L1109 HydrophobicContact CB-CD2 3.47Å; F1087-L1109 VanDerWaalsContact CB-CD2 3.47Å; F1087-V1116 HydrophobicContact CD1-CG1 4.39Å; F1087-V1116 HydrophobicContact CE1-CB 4.48Å; F1087-V1116 HydrophobicContact CE1-CG1 3.68Å; F1087-V1116 HydrophobicContact CZ-CG1 4.1Å; F1087-F1120 HydrophobicContact CE2-CB 3.82Å; F1087-F1120 HydrophobicContact CE2-CD1 4.45Å; F1087-F1120 HydrophobicContact CZ-CB 3.69Å; F1087-F1120 HydrophobicContact CZ-CG 4.36Å |
| 1088 | R | 90 | Very high | 84.1 | Confident | 170 Ų | 170 | 62.9 Ų | 62.9 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | trans | -114.1 | 155.5 | 178.4 | -69.6 | -177.9 | 173.5 | -79.8 | -2.5 | 111.8 | A1066 D1069 G1090 D1091 | A1066-R1088 VanDerWaalsContact CB-O 3.24Å; A1066-R1088 WeakPolarHBondContact CB-O 3.34Å; D1069-R1088 WeakPolarHBondContact OD1-CA 3.32Å; D1069-R1088 VanDerWaalsContact OD1-CB 3.28Å; D1069-R1088 WeakPolarHBondContact OD1-CB 3.27Å; D1069-R1088 IonicContact OD2-NH1 3.86Å; R1088-G1090 PolarHBondContact O-N 3.49Å; R1088-D1091 PolarHBondContact N-OD2 3.29Å; R1088-D1091 VanDerWaalsContact O-CB 3.26Å; R1088-D1091 WeakPolarHBondContact O-CB 3.43Å; R1088-D1091 PolarHBondContact O-N 2.88Å | ||
| 1089 | A | 89.9 | Confident | 84.8 | Confident | 55 Ų | 55 | 64 Ų | 64 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 125.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1068 D1069 | F1068-A1089 PolarHBondContact O-N 3.24Å; D1069-A1089 PolarHBondContact OD1-N 3.14Å |
| 1090 | G | 84.3 | Confident | 85.8 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -8.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1066 R1088 | A1066-G1090 PolarHBondContact O-N 2.87Å; R1088-G1090 PolarHBondContact O-N 3.49Å |
| 1091 | D | 91.8 | Very high | 86.4 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | trans | -67 | 134.7 | 175.6 | -81.6 | -30.3 | 0 | 0 | 0 | 111.7 | V1065 A1066 F1087 R1088 I1093 L1109 | V1065-D1091 CarbonylContact C-O 3.41Å; V1065-D1091 WeakPolarHBondContact CA-O 3.45Å; A1066-D1091 HydrophobicContact CB-CB 4.37Å; A1066-D1091 PolarHBondContact N-O 2.83Å; F1087-D1091 HydrophobicContact CB-CB 4.34Å; R1088-D1091 PolarHBondContact N-OD2 3.29Å; R1088-D1091 VanDerWaalsContact O-CB 3.26Å; R1088-D1091 WeakPolarHBondContact O-CB 3.43Å; R1088-D1091 PolarHBondContact O-N 2.88Å; D1091-I1093 PolarHBondContact O-N 3.38Å; D1091-L1109 HydrophobicContact CB-CD1 3.88Å; D1091-L1109 HydrophobicContact CB-CD2 3.77Å | ||
| 1092 | V | 90.8 | Very high | 86.4 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 100.5 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | M1064 V1065 L1109 | M1064-V1092 CarbonylContact O-C 3.51Å; M1064-V1092 WeakPolarHBondContact O-CA 3.24Å; V1065-V1092 HydrophobicContact CG2-CG2 4.46Å; V1092-L1109 WeakPolarHBondContact O-CD1 3.33Å |
| 1093 | I | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.3 | -175.1 | -61.4 | 161.1 | 0 | 0 | 0 | 109 | S1063 M1064 A1066 L1085 F1087 D1091 V1095 L1109 V1116 L1121 | S1063-I1093 CarbonylContact C-O 3.56Å; S1063-I1093 WeakPolarHBondContact CA-O 3.42Å; M1064-I1093 PolarHBondContact N-O 3.43Å; M1064-I1093 PolarHBondContact O-N 2.85Å; A1066-I1093 HydrophobicContact CB-CD1 4.03Å; L1085-I1093 HydrophobicContact CD2-CG2 4.44Å; F1087-I1093 HydrophobicContact CB-CD1 3.89Å; F1087-I1093 HydrophobicContact CD1-CD1 3.71Å; F1087-I1093 HydrophobicContact CD2-CD1 3.88Å; F1087-I1093 HydrophobicContact CE1-CD1 4.2Å; F1087-I1093 HydrophobicContact CE2-CD1 4.31Å; F1087-I1093 HydrophobicContact CG-CD1 3.55Å; F1087-I1093 HydrophobicContact CZ-CD1 4.46Å; D1091-I1093 PolarHBondContact O-N 3.38Å; I1093-V1095 HydrophobicContact CG2-CG2 4.47Å; I1093-L1109 HydrophobicContact CG1-CB 4.17Å; I1093-L1109 HydrophobicContact CG1-CD1 4.12Å; I1093-L1109 HydrophobicContact CG1-CD2 4.14Å; I1093-L1109 HydrophobicContact CG1-CG 4.37Å; I1093-V1116 HydrophobicContact CD1-CG1 4.22Å; I1093-V1116 HydrophobicContact CG2-CG1 4.39Å; I1093-V1116 HydrophobicContact CG2-CG2 4.1Å; I1093-L1121 HydrophobicContact CD1-CD2 3.56Å |
| 1094 | T | 91.9 | Very high | 87.4 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 29% | 0.288 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 111.7 | 175.6 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | P1061 F1096 G1107 E1108 | P1061-T1094 HydrophobicContact CB-CG2 4.16Å; T1094-F1096 HydrophobicContact CG2-CE1 4.41Å; T1094-F1096 HydrophobicContact CG2-CE2 4Å; T1094-F1096 HydrophobicContact CG2-CZ 3.8Å; T1094-F1096 WeakPolarHBondContact O-CD2 3.39Å; T1094-F1096 WeakPolarHBondContact O-CE2 3.35Å; T1094-G1107 CarbonylContact O-C 3.5Å; T1094-G1107 WeakPolarHBondContact O-CA 3.08Å; T1094-E1108 PolarHBondContact N-O 2.83Å; T1094-E1108 PolarHBondContact O-N 2.86Å |
| 1095 | V | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 141.5 | 179.7 | 167 | 0 | 0 | 0 | 0 | 110.8 | P1061 H1062 M1064 I1093 Y1105 L1121 | P1061-V1095 CarbonylContact C-O 3.44Å; P1061-V1095 WeakPolarHBondContact CA-O 3.3Å; H1062-V1095 PolarHBondContact N-O 3.44Å; H1062-V1095 PolarHBondContact O-N 3.47Å; M1064-V1095 HydrophobicContact CG-CG2 4.28Å; M1064-V1095 HydrophobicContact SD-CB 4.41Å; M1064-V1095 HydrophobicContact SD-CG2 3.95Å; I1093-V1095 HydrophobicContact CG2-CG2 4.47Å; V1095-Y1105 HydrophobicContact CG1-CD1 3.4Å; V1095-Y1105 VanDerWaalsContact CG1-CD1 3.4Å; V1095-Y1105 HydrophobicContact CG1-CE1 4.08Å; V1095-Y1105 HydrophobicContact CG1-CG 3.67Å; V1095-Y1105 HydrophobicContact CG2-CD2 4.44Å; V1095-Y1105 HydrophobicContact CG2-CG 4.13Å; V1095-L1121 HydrophobicContact CG2-CD1 3.76Å |
| 1096 | F | 87.2 | Confident | 87.5 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.4 | 179.2 | -58 | -96.1 | 0 | 0 | 0 | 110.8 | P1061 T1094 Y1106 E1108 | P1061-F1096 HydrophobicContact CB-CD1 3.68Å; P1061-F1096 HydrophobicContact CB-CE1 3.77Å; P1061-F1096 HydrophobicContact CB-CG 4.4Å; P1061-F1096 HydrophobicContact CG-CD1 3.57Å; P1061-F1096 HydrophobicContact CG-CE1 3.8Å; T1094-F1096 HydrophobicContact CG2-CE1 4.41Å; T1094-F1096 HydrophobicContact CG2-CE2 4Å; T1094-F1096 HydrophobicContact CG2-CZ 3.8Å; T1094-F1096 WeakPolarHBondContact O-CD2 3.39Å; T1094-F1096 WeakPolarHBondContact O-CE2 3.35Å; F1096-Y1106 HydrophobicContact CD2-CD1 4.49Å; F1096-Y1106 WeakPolarHBondContact CD2-O 3.47Å; F1096-Y1106 PolarHBondContact N-O 3.14Å; F1096-E1108 HydrophobicContact CE2-CB 3.59Å; F1096-E1108 HydrophobicContact CZ-CB 4.19Å |
| 1097 | G | 83.6 | Confident | 87.5 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 32% | 0.32 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.5 | -161.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1098 | G | 77.8 | Confident | 87.6 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 176.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1099 | M | 85.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 52.3 Ų | 52.3 | 48% | 0.478 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 142.3 | 157.3 | -161.6 | 173.5 | 74.9 | 0 | 0 | 107.3 | F1104 Y1105 S1118 | M1099-F1104 CarbonylContact C-O 3.51Å; M1099-F1104 VanDerWaalsContact CA-O 3.32Å; M1099-F1104 WeakPolarHBondContact CA-O 3.43Å; M1099-F1104 VanDerWaalsContact CG-O 3.32Å; M1099-F1104 WeakPolarHBondContact CG-O 3.38Å; M1099-Y1105 HydrophobicContact CB-CD1 4.07Å; M1099-Y1105 HydrophobicContact CB-CE1 3.58Å; M1099-Y1105 HydrophobicContact CG-CD1 4.4Å; M1099-Y1105 HydrophobicContact CG-CE1 4.14Å; M1099-S1118 VanDerWaalsContact SD-CB 3.52Å; M1099-S1118 PolarHBondContact SD-OG 2.84Å; M1099-S1118 VanDerWaalsContact SD-OG 3.41Å |
| 1100 | D | 83.7 | Confident | 87.2 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | trans | -77.4 | 171.5 | 168.7 | 51.6 | 43.3 | 0 | 0 | 0 | 111.3 | D1102 G1103 F1104 | D1100-D1102 PolarHBondContact O-N 3.41Å; D1100-D1102 PolarHBondContact OD1-N 3.5Å; D1100-G1103 PolarHBondContact O-N 2.87Å; D1100-G1103 VanDerWaalsContact O-N 3.09Å; D1100-G1103 PolarHBondContact OD1-N 3.45Å; D1100-F1104 PolarHBondContact N-O 2.84Å; D1100-F1104 WeakPolarHBondContact OD1-CA 3.48Å; D1100-F1104 WeakPolarHBondContact OD1-CB 3.37Å; D1100-F1104 PolarHBondContact OD1-N 3.37Å | ||
| 1101 | D | 78.1 | Confident | 87 | Confident | 174 Ų | 174 | 57 Ų | 57 | 93% | 0.93 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.9 | -176.5 | -59.5 | -53.4 | 0 | 0 | 0 | 112.3 | G1103 | D1101-G1103 VanDerWaalsContact C-N 3.35Š|
| 1102 | D | 77.8 | Confident | 86.6 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.4 | 175.9 | -59.8 | -54.4 | 0 | 0 | 0 | 113.3 | D1100 F1104 | D1100-D1102 PolarHBondContact O-N 3.41Å; D1100-D1102 PolarHBondContact OD1-N 3.5Å; D1102-F1104 HydrophobicContact CB-CD2 4.07Å; D1102-F1104 WeakPolarHBondContact O-CD2 3.42Å |
| 1103 | G | 85.7 | Confident | 86.6 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 86.8 | 15.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D1100 D1101 S1118 | D1100-G1103 PolarHBondContact O-N 2.87Å; D1100-G1103 VanDerWaalsContact O-N 3.09Å; D1100-G1103 PolarHBondContact OD1-N 3.45Å; D1101-G1103 VanDerWaalsContact C-N 3.35Å; G1103-S1118 WeakPolarHBondContact O-CB 3.32Å; G1103-S1118 PolarHBondContact O-N 3.28Å; G1103-S1118 VanDerWaalsContact O-N 3.07Å; G1103-S1118 PolarHBondContact O-OG 3.31Å |
| 1104 | F | 89.9 | Confident | 86.4 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 160.9 | 176 | -67.9 | -105.2 | 0 | 0 | 0 | 111.8 | M1099 D1100 D1102 L1115 P1117 | M1099-F1104 CarbonylContact C-O 3.51Å; M1099-F1104 VanDerWaalsContact CA-O 3.32Å; M1099-F1104 WeakPolarHBondContact CA-O 3.43Å; M1099-F1104 VanDerWaalsContact CG-O 3.32Å; M1099-F1104 WeakPolarHBondContact CG-O 3.38Å; D1100-F1104 PolarHBondContact N-O 2.84Å; D1100-F1104 WeakPolarHBondContact OD1-CA 3.48Å; D1100-F1104 WeakPolarHBondContact OD1-CB 3.37Å; D1100-F1104 PolarHBondContact OD1-N 3.37Å; D1102-F1104 HydrophobicContact CB-CD2 4.07Å; D1102-F1104 WeakPolarHBondContact O-CD2 3.42Å; F1104-L1115 HydrophobicContact CB-CB 4.36Å; F1104-L1115 HydrophobicContact CB-CD2 4.4Å; F1104-L1115 HydrophobicContact CD1-CB 3.93Å; F1104-L1115 HydrophobicContact CG-CB 4.44Å; F1104-P1117 HydrophobicContact CD1-CB 4.31Å; F1104-P1117 HydrophobicContact CD1-CG 4.09Å; F1104-P1117 HydrophobicContact CE1-CB 4.16Å; F1104-P1117 HydrophobicContact CE1-CG 3.72Å |
| 1105 | Y | 91.2 | Very high | 86.4 | Confident | 37 Ų | 37 | 62.1 Ų | 62.1 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.1 | 171 | -74.8 | -62.7 | 0 | 0 | 0 | 109.8 | M1064 V1095 M1099 G1107 L1115 V1116 L1121 | M1064-Y1105 HydrophobicContact CE-CE2 4.4Å; M1064-Y1105 HydrophobicContact SD-CE2 4.17Å; V1095-Y1105 HydrophobicContact CG1-CD1 3.4Å; V1095-Y1105 VanDerWaalsContact CG1-CD1 3.4Å; V1095-Y1105 HydrophobicContact CG1-CE1 4.08Å; V1095-Y1105 HydrophobicContact CG1-CG 3.67Å; V1095-Y1105 HydrophobicContact CG2-CD2 4.44Å; V1095-Y1105 HydrophobicContact CG2-CG 4.13Å; M1099-Y1105 HydrophobicContact CB-CD1 4.07Å; M1099-Y1105 HydrophobicContact CB-CE1 3.58Å; M1099-Y1105 HydrophobicContact CG-CD1 4.4Å; M1099-Y1105 HydrophobicContact CG-CE1 4.14Å; Y1105-G1107 PolarHBondContact O-N 2.95Å; Y1105-L1115 CarbonylContact O-C 3.57Å; Y1105-V1116 PolarHBondContact N-O 3.28Å; Y1105-V1116 PolarHBondContact O-N 3.24Å; Y1105-L1121 HydrophobicContact CD2-CD1 3.74Å; Y1105-L1121 HydrophobicContact CE2-CD1 4.34Å |
| 1106 | Y | 91.5 | Very high | 86.4 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 108.9 | 166.6 | -162.2 | -107.1 | 0 | 0 | 0 | 109.6 | K1030 F1096 L1115 | K1030-Y1106 PolarHBondContact NZ-OH 2.94Å; K1030-Y1106 VanDerWaalsContact NZ-OH 3.15Å; F1096-Y1106 HydrophobicContact CD2-CD1 4.49Å; F1096-Y1106 WeakPolarHBondContact CD2-O 3.47Å; F1096-Y1106 PolarHBondContact N-O 3.14Å; Y1106-L1115 HydrophobicContact CD2-CD2 4.31Å |
| 1107 | G | 91.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 157.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1094 Y1105 R1113 G1114 | T1094-G1107 CarbonylContact O-C 3.5Å; T1094-G1107 WeakPolarHBondContact O-CA 3.08Å; Y1105-G1107 PolarHBondContact O-N 2.95Å; G1107-R1113 VanDerWaalsContact O-CA 3.3Å; G1107-R1113 WeakPolarHBondContact O-CA 3.3Å; G1107-G1114 PolarHBondContact N-O 3.06Å; G1107-G1114 PolarHBondContact O-N 3.23Å; G1107-G1114 VanDerWaalsContact O-N 3.16Å |
| 1108 | E | 92.5 | Very high | 86.8 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.2 | 166.5 | -172.8 | 169.5 | 176.2 | 0 | 0 | 110.2 | R1032 T1094 F1096 Q1112 R1113 | R1032-E1108 IonicContact NH2-OE1 3.23Å; R1032-E1108 IonicContact NH2-OE2 2.7Å; T1094-E1108 PolarHBondContact N-O 2.83Å; T1094-E1108 PolarHBondContact O-N 2.86Å; F1096-E1108 HydrophobicContact CE2-CB 3.59Å; F1096-E1108 HydrophobicContact CZ-CB 4.19Å; E1108-Q1112 CarbonylContact C-O 3.5Å; E1108-Q1112 VanDerWaalsContact CA-O 3.24Å; E1108-Q1112 WeakPolarHBondContact CA-O 3.41Å; E1108-R1113 HydrophobicContact CB-CG 3.89Å; E1108-R1113 HydrophobicContact CG-CG 3.75Å; E1108-R1113 IonicContact OE1-NE 2.77Å; E1108-R1113 IonicContact OE2-CZ 3.24Å; E1108-R1113 IonicContact OE2-NE 2.7Å; E1108-R1113 PolarHBondContact OE2-NE 3.44Å; E1108-R1113 IonicContact OE2-NH2 2.8Å; E1108-R1113 PolarHBondContact OE2-NH2 2.84Å |
| 1109 | L | 89.8 | Confident | 87.3 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.068 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.4 | 174.8 | -179.4 | 63.8 | 0 | 0 | 0 | 108.4 | L1085 F1087 D1091 V1092 I1093 G1111 Q1112 | L1085-L1109 HydrophobicContact CD2-CB 3.72Å; L1085-L1109 HydrophobicContact CG-CB 4.36Å; F1087-L1109 HydrophobicContact CB-CD2 3.47Å; F1087-L1109 VanDerWaalsContact CB-CD2 3.47Å; D1091-L1109 HydrophobicContact CB-CD1 3.88Å; D1091-L1109 HydrophobicContact CB-CD2 3.77Å; V1092-L1109 WeakPolarHBondContact O-CD1 3.33Å; I1093-L1109 HydrophobicContact CG1-CB 4.17Å; I1093-L1109 HydrophobicContact CG1-CD1 4.12Å; I1093-L1109 HydrophobicContact CG1-CD2 4.14Å; I1093-L1109 HydrophobicContact CG1-CG 4.37Å; L1109-G1111 PolarHBondContact O-N 2.86Å; L1109-Q1112 PolarHBondContact N-O 2.91Å; L1109-Q1112 PolarHBondContact O-N 2.81Å |
| 1110 | N | 82 | Confident | 87.5 | Confident | 147 Ų | 147 | 62 Ų | 62 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 24.8 | 179.7 | -62.3 | -39.6 | 0 | 0 | 0 | 114.9 | Q1112 | N1110-Q1112 VanDerWaalsContact C-N 3.32Š|
| 1111 | G | 80 | Confident | 87.7 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -4.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1109 | L1109-G1111 PolarHBondContact O-N 2.86Š|
| 1112 | Q | 83.4 | Confident | 88.1 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 146.6 | 166.4 | -66.5 | -177.4 | -3.6 | 0 | 0 | 109.6 | L1085 E1108 L1109 N1110 | L1085-Q1112 HydrophobicContact CD1-CB 3.67Å; E1108-Q1112 CarbonylContact C-O 3.5Å; E1108-Q1112 VanDerWaalsContact CA-O 3.24Å; E1108-Q1112 WeakPolarHBondContact CA-O 3.41Å; L1109-Q1112 PolarHBondContact N-O 2.91Å; L1109-Q1112 PolarHBondContact O-N 2.81Å; N1110-Q1112 VanDerWaalsContact C-N 3.32Å |
| 1113 | R | 89.9 | Confident | 88.1 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.4 | -175.6 | -72 | 175.5 | 163.8 | -132.8 | -18.6 | 110 | G1107 E1108 | G1107-R1113 VanDerWaalsContact O-CA 3.3Å; G1107-R1113 WeakPolarHBondContact O-CA 3.3Å; E1108-R1113 HydrophobicContact CB-CG 3.89Å; E1108-R1113 HydrophobicContact CG-CG 3.75Å; E1108-R1113 IonicContact OE1-NE 2.77Å; E1108-R1113 IonicContact OE2-CZ 3.24Å; E1108-R1113 IonicContact OE2-NE 2.7Å; E1108-R1113 PolarHBondContact OE2-NE 3.44Å; E1108-R1113 IonicContact OE2-NH2 2.8Å; E1108-R1113 PolarHBondContact OE2-NH2 2.84Å |
| 1114 | G | 89.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1083 G1107 | A1083-G1114 CarbonylContact O-C 3.52Å; A1083-G1114 WeakPolarHBondContact O-CA 3.45Å; G1107-G1114 PolarHBondContact N-O 3.06Å; G1107-G1114 PolarHBondContact O-N 3.23Å; G1107-G1114 VanDerWaalsContact O-N 3.16Å |
| 1115 | L | 91.9 | Very high | 84.6 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 142.6 | 169.4 | -62.5 | 174.3 | 0 | 0 | 0 | 110 | A1083 E1084 L1085 F1104 Y1105 Y1106 | A1083-L1115 PolarHBondContact O-N 3.33Å; E1084-L1115 WeakPolarHBondContact CA-O 3.27Å; E1084-L1115 HydrophobicContact CG-CB 4.19Å; L1085-L1115 PolarHBondContact N-O 2.8Å; F1104-L1115 HydrophobicContact CB-CB 4.36Å; F1104-L1115 HydrophobicContact CB-CD2 4.4Å; F1104-L1115 HydrophobicContact CD1-CB 3.93Å; F1104-L1115 HydrophobicContact CG-CB 4.44Å; Y1105-L1115 CarbonylContact O-C 3.57Å; Y1106-L1115 HydrophobicContact CD2-CD2 4.31Å |
| 1116 | V | 91.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 116 | -174.7 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | L1085 F1087 I1093 Y1105 S1118 L1121 | L1085-V1116 HydrophobicContact CB-CG2 3.82Å; L1085-V1116 HydrophobicContact CD2-CG2 3.67Å; L1085-V1116 HydrophobicContact CG-CG2 4.39Å; F1087-V1116 HydrophobicContact CD1-CG1 4.39Å; F1087-V1116 HydrophobicContact CE1-CB 4.48Å; F1087-V1116 HydrophobicContact CE1-CG1 3.68Å; F1087-V1116 HydrophobicContact CZ-CG1 4.1Å; I1093-V1116 HydrophobicContact CD1-CG1 4.22Å; I1093-V1116 HydrophobicContact CG2-CG1 4.39Å; I1093-V1116 HydrophobicContact CG2-CG2 4.1Å; Y1105-V1116 PolarHBondContact N-O 3.28Å; Y1105-V1116 PolarHBondContact O-N 3.24Å; V1116-S1118 PolarHBondContact O-N 3.49Å; V1116-L1121 HydrophobicContact CG1-CD1 3.65Å; V1116-L1121 HydrophobicContact CG1-CD2 3.69Å; V1116-L1121 HydrophobicContact CG1-CG 3.83Å |
| 1117 | P | 90.8 | Very high | 79.7 | Confident | 11 Ų | 11 | 68.3 Ų | 68.3 | 7% | 0.071 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 127.6 | -179.2 | -17 | 25.8 | 0 | 0 | 0 | 111.4 | Y1070 F1104 N1119 F1120 | Y1070-P1117 HydrophobicContact CD1-CG 4.27Å; Y1070-P1117 HydrophobicContact CD2-CG 4.28Å; Y1070-P1117 HydrophobicContact CE1-CG 3.67Å; Y1070-P1117 HydrophobicContact CE2-CG 3.72Å; Y1070-P1117 WeakPolarHBondContact OH-CG 3.39Å; F1104-P1117 HydrophobicContact CD1-CB 4.31Å; F1104-P1117 HydrophobicContact CD1-CG 4.09Å; F1104-P1117 HydrophobicContact CE1-CB 4.16Å; F1104-P1117 HydrophobicContact CE1-CG 3.72Å; P1117-N1119 VanDerWaalsContact C-N 3.28Å; P1117-N1119 PolarHBondContact O-N 3.01Å; P1117-F1120 HydrophobicContact CB-CD2 3.86Å; P1117-F1120 HydrophobicContact CB-CE2 4.45Å; P1117-F1120 HydrophobicContact CG-CD2 4.38Å; P1117-F1120 PolarHBondContact O-N 3.42Å |
| 1118 | S | 88.7 | Confident | 77.1 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 15% | 0.147 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -59.4 | -36.8 | -178.1 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | M1099 G1103 V1116 F1120 L1121 | M1099-S1118 VanDerWaalsContact SD-CB 3.52Å; M1099-S1118 PolarHBondContact SD-OG 2.84Å; M1099-S1118 VanDerWaalsContact SD-OG 3.41Å; G1103-S1118 WeakPolarHBondContact O-CB 3.32Å; G1103-S1118 PolarHBondContact O-N 3.28Å; G1103-S1118 VanDerWaalsContact O-N 3.07Å; G1103-S1118 PolarHBondContact O-OG 3.31Å; V1116-S1118 PolarHBondContact O-N 3.49Å; S1118-F1120 PolarHBondContact O-N 3.19Å; S1118-L1121 PolarHBondContact O-N 2.89Å |
| 1119 | N | 89.1 | Confident | 74.3 | Confident | 140 Ų | 140 | 75.2 Ų | 75.2 | 75% | 0.749 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -58.4 | -18.2 | 179.6 | -69 | -37 | 0 | 0 | 0 | 114.4 | P1117 | P1117-N1119 VanDerWaalsContact C-N 3.28Å; P1117-N1119 PolarHBondContact O-N 3.01Å |
| 1120 | F | 88.1 | Confident | 71.5 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 25% | 0.246 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -99.6 | 1.2 | -178.3 | -73 | -113.2 | 0 | 0 | 0 | 112.5 | A1066 A1067 F1068 Y1070 F1087 P1117 S1118 | A1066-F1120 CarbonylContact C-O 3.55Å; A1066-F1120 WeakPolarHBondContact CA-O 3.4Å; A1067-F1120 PolarHBondContact N-O 3.44Å; F1068-F1120 HydrophobicContact CB-CD1 3.85Å; F1068-F1120 HydrophobicContact CB-CE1 4.23Å; Y1070-F1120 HydrophobicContact CD2-CD1 4.13Å; Y1070-F1120 AromaticContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE1 3.86Å; Y1070-F1120 HydrophobicContact CD2-CE2 4.44Å; Y1070-F1120 HydrophobicContact CD2-CZ 4.03Å; Y1070-F1120 HydrophobicContact CG-CD1 4.4Å; F1087-F1120 HydrophobicContact CE2-CB 3.82Å; F1087-F1120 HydrophobicContact CE2-CD1 4.45Å; F1087-F1120 HydrophobicContact CZ-CB 3.69Å; F1087-F1120 HydrophobicContact CZ-CG 4.36Å; P1117-F1120 HydrophobicContact CB-CD2 3.86Å; P1117-F1120 HydrophobicContact CB-CE2 4.45Å; P1117-F1120 HydrophobicContact CG-CD2 4.38Å; P1117-F1120 PolarHBondContact O-N 3.42Å; S1118-F1120 PolarHBondContact O-N 3.19Å |
| 1121 | L | 88.8 | Confident | 69.3 | Low | 20 Ų | 20 | 80.1 Ų | 80.1 | 11% | 0.105 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.1 | -177.2 | -56.3 | -172.5 | 0 | 0 | 0 | 113.2 | M1064 V1065 I1093 V1095 Y1105 V1116 S1118 | M1064-L1121 HydrophobicContact CB-CB 4.13Å; M1064-L1121 HydrophobicContact CB-CD1 4.05Å; M1064-L1121 HydrophobicContact CE-CB 3.74Å; M1064-L1121 HydrophobicContact CE-CD1 4.37Å; M1064-L1121 HydrophobicContact SD-CB 4.34Å; M1064-L1121 HydrophobicContact SD-CD1 3.91Å; V1065-L1121 WeakPolarHBondContact O-CA 3.3Å; I1093-L1121 HydrophobicContact CD1-CD2 3.56Å; V1095-L1121 HydrophobicContact CG2-CD1 3.76Å; Y1105-L1121 HydrophobicContact CD2-CD1 3.74Å; Y1105-L1121 HydrophobicContact CE2-CD1 4.34Å; V1116-L1121 HydrophobicContact CG1-CD1 3.65Å; V1116-L1121 HydrophobicContact CG1-CD2 3.69Å; V1116-L1121 HydrophobicContact CG1-CG 3.83Å; S1118-L1121 PolarHBondContact O-N 2.89Å |
| 1122 | E | 87.4 | Confident | 66.9 | Low | 132 Ų | 132 | 85 Ų | 85 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.7 | 171.6 | -166.8 | 169.3 | -163.4 | 0 | 0 | 110.6 | V1065 A1067 | V1065-E1122 PolarHBondContact N-O 3.38Å; V1065-E1122 PolarHBondContact O-N 3.44Å; A1067-E1122 HydrophobicContact CB-CB 4.45Å |
| 1123 | G | 75.9 | Confident | 64.4 | Low | 49 Ų | 49 | 90 Ų | 90 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 143.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1125 | G1123-G1125 PolarHBondContact O-N 2.84Š|
| 1124 | P | 59.8 | Low | 61.5 | Low | 88 Ų | 88 | 93.5 Ų | 93.5 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118 | 175.2 | 29.9 | -34.6 | 0 | 0 | 0 | 110.4 | S1063 | S1063-P1124 WeakPolarHBondContact O-CD 3.36Å; S1063-P1124 VanDerWaalsContact O-CG 3.24Å; S1063-P1124 WeakPolarHBondContact O-CG 3.44Å |
| 1125 | G | 43.3 | Very low | 59.2 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 67% | 0.67 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 143 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1123 E1127 | G1123-G1125 PolarHBondContact O-N 2.84Å; G1125-E1127 PolarHBondContact O-N 2.92Å |
| 1126 | P | 43.2 | Very low | 56.1 | Low | 137 Ų | 137 | 106.7 Ų | 106.7 | 89% | 0.89 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 121.2 | 179.4 | 29.8 | -33.4 | 0 | 0 | 0 | 112 | ||
| 1127 | E | 37.1 | Very low | 53.2 | Low | 182 Ų | 182 | 112.9 Ų | 112.9 | 85% | 0.85 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 138.8 | 176.8 | -88.7 | -91.5 | 120.8 | 0 | 0 | 113.5 | G1125 | G1125-E1127 PolarHBondContact O-N 2.92Š|
| 1128 | A | 37.2 | Very low | 50.7 | Low | 96 Ų | 96 | 118 Ų | 118 | 79% | 0.793 | 69% | 0.687 | S | S | * | * | trans | 63.4 | 111.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1129 | G | 32.5 | Very low | 47.7 | Very low | 85 Ų | 85 | 125.7 Ų | 125.7 | 88% | 0.876 | 72% | 0.721 | S | S | * | * | trans | 178.3 | 78.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1130 | G | 31.4 | Very low | 45.1 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | 103.8 | 138.6 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1131 | L | 35.4 | Very low | 42.2 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | trans | -99.9 | 135.8 | -178.2 | -66.6 | 151.5 | 0 | 0 | 0 | 111.5 | ||||
| 1132 | D | 31 | Very low | 39.4 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | -168 | 170 | 117.1 | -130.3 | -37 | 0 | 0 | 0 | 113.9 | |||||
| 1133 | R | 30.3 | Very low | 36.9 | Very low | 231 Ų | 231 | 135.2 Ų | 135.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -58.7 | 139.1 | -156.2 | -75.1 | 170.1 | 155.6 | -177.7 | -6.3 | 123 | ||||
| 1134 | E | 28.9 | Very low | 34.7 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -10.6 | 168.8 | 136.3 | -87.1 | -156.3 | 101.5 | 0 | 0 | 122.2 | ||||
| 1135 | P | 41.3 | Very low | 33.3 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 62% | 0.617 | 82% | 0.815 | S | S | * | * | cis | -143.7 | 152 | -33.6 | 37.5 | -19.7 | 0 | 0 | 0 | 115.9 | ||||
| 1136 | R | 26.7 | Very low | 32.7 | Very low | 239 Ų | 239 | 155 Ų | 155 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | 176.3 | 116.8 | 136.5 | -101.2 | 166.9 | -176.2 | -179.8 | 1.4 | 113.1 | ||||
| 1137 | T | 31.2 | Very low | 32.2 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | trans | 13.5 | 134.3 | 149.7 | 54.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1138 | P | 37.1 | Very low | 32 | Very low | 118 Ų | 118 | 162.9 Ų | 162.9 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | -147.7 | 170 | 78.4 | 42.1 | -26.4 | 0 | 0 | 0 | 118.4 | |||||
| 1139 | Q | 25.2 | Very low | 31.8 | Very low | 184 Ų | 184 | 168 Ų | 168 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | 86.6 | 128.2 | 144.5 | -134.2 | 175.2 | -38.8 | 0 | 0 | 122.5 | ||||
| 1140 | A | 34.3 | Very low | 31.9 | Very low | 80 Ų | 80 | 170.7 Ų | 170.7 | 66% | 0.661 | 83% | 0.829 | S | S | * | * | trans | 61.5 | 133.4 | 145.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1141 | E | 27.8 | Very low | 32.1 | Very low | 191 Ų | 191 | 173.6 Ų | 173.6 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | 81.4 | 141.9 | 146.6 | -75.5 | -176.5 | 167.2 | 0 | 0 | 123.8 | ||||
| 1142 | S | 30.3 | Very low | 32.1 | Very low | 102 Ų | 102 | 174.7 Ų | 174.7 | 71% | 0.713 | 84% | 0.841 | S | S | * | * | trans | 73.2 | 114.3 | 164.6 | -88.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1143 | Q | 35.1 | Very low | 32.2 | Very low | 175 Ų | 175 | 175.6 Ų | 175.6 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | 71.2 | 117.7 | 139.5 | -57.7 | -177.9 | 18.1 | 0 | 0 | 120.3 | ||||
| 1144 | R | 28.6 | Very low | 32.3 | Very low | 247 Ų | 247 | 172.6 Ų | 172.6 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | -148.6 | 127.3 | 117.5 | -128.6 | 172.5 | -174.4 | 170 | 3.9 | 115.1 | |||||
| 1145 | T | 31.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 172.6 Ų | 172.6 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | trans | -60.6 | 155.1 | 173.7 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1146 | R | 31.3 | Very low | 32 | Very low | 247 Ų | 247 | 177.1 Ų | 177.1 | 93% | 0.932 | 85% | 0.854 | S | S | * | * | trans | -128.8 | 82.5 | 161.8 | -142.3 | -179.5 | -168 | -156.2 | 2.8 | 112.2 | ||||
| 1147 | R | 32.6 | Very low | 32.3 | Very low | 227 Ų | 227 | 173.3 Ų | 173.3 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | trans | 21 | 118.7 | 146.5 | -61.6 | 176.9 | 168.8 | -138.4 | -6.9 | 117.3 | ||||
| 1148 | R | 31.8 | Very low | 32.4 | Very low | 258 Ų | 258 | 176.1 Ų | 176.1 | 97% | 0.974 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 143.5 | 137 | -86.6 | -170.3 | 172 | -165.2 | -0.7 | 109.5 | ||
| 1149 | R | 33.3 | Very low | 32 | Very low | 203 Ų | 203 | 180.3 Ų | 180.3 | 77% | 0.766 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 123.7 | -178.9 | 169.9 | -168.7 | -84.8 | -173.6 | -5.6 | 106.7 | ||
| 1150 | V | 34.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 180 Ų | 180 | 86% | 0.861 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.7 | 165.9 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1151 | Q | 34.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 188.3 Ų | 188.3 | 68% | 0.682 | 88% | 0.877 | S | S | * | * | trans | -153.4 | 107 | 167.6 | -159.5 | 160.1 | 13 | 0 | 0 | 110.1 | ||||
| 1152 | C | 36.9 | Very low | 32.8 | Very low | 200 Ų | 200 | 188.1 Ų | 188.1 | 100% | 1.351 | 88% | 0.876 | S | S | * | * | trans | 47.8 | 0 | 166.9 | -62.5 | 0 | 0 | 0 | 0 | 117.5 |
Retrieved 1,152 of 1,152 residues in 216.8 ms
(Link to these results)