| 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 | 32.7 | Very low | 30.7 | Very low | 240 Ų | 240 | 157.9 Ų | 157.9 | 100% | 1.182 | 88% | 0.875 | S | S | * | * | 0 | 88.1 | 0 | -61.8 | 178.6 | 179.9 | 0 | 0 | 105.7 | |||||
| 2 | L | 32 | Very low | 30.9 | Very low | 158 Ų | 158 | 157.2 Ų | 157.2 | 83% | 0.827 | 88% | 0.878 | S | S | * | * | 48.2 | 100.3 | 76.3 | -87.6 | 161.5 | 0 | 0 | 0 | 114.1 | |||||
| 3 | W | 28.3 | Very low | 30.7 | Very low | 241 Ų | 241 | 150.4 Ų | 150.4 | 91% | 0.913 | 87% | 0.865 | S | S | * | * | trans | 178.3 | 108.9 | 140.9 | -89.4 | 5.5 | 0 | 0 | 0 | 106.7 | ||||
| 4 | T | 30 | Very low | 30.9 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 76% | 0.761 | 86% | 0.861 | S | S | * | * | 50.4 | 112.7 | 72.6 | 60.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 5 | S | 31.3 | Very low | 30.9 | Very low | 124 Ų | 124 | 152 Ų | 152 | 87% | 0.867 | 86% | 0.863 | S | S | * | * | 165.4 | 150.7 | 124.8 | 116 | 0 | 0 | 0 | 0 | 108 | |||||
| 6 | A | 30.2 | Very low | 30.7 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 78% | 0.777 | 86% | 0.855 | S | S | * | * | cis | -170.4 | 154.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 7 | A | 29.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 156.8 Ų | 156.8 | 80% | 0.802 | 86% | 0.859 | S | S | * | * | trans | -77 | 158.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 8 | Q | 29 | Very low | 30.3 | Very low | 202 Ų | 202 | 153.8 Ų | 153.8 | 94% | 0.944 | 85% | 0.85 | S | S | * | * | trans | -152.8 | 138 | 139.9 | -116.1 | 175.7 | -3.7 | 0 | 0 | 112.6 | ||||
| 9 | R | 30.6 | Very low | 30 | Very low | 252 Ų | 252 | 159.3 Ų | 159.3 | 95% | 0.951 | 86% | 0.857 | S | S | * | * | trans | -88.6 | 156.2 | -174.8 | -71.7 | 171.5 | 165.4 | 173.4 | -4.8 | 111.9 | ||||
| 10 | G | 28.4 | Very low | 29.8 | Very low | 72 Ų | 72 | 156.7 Ų | 156.7 | 74% | 0.742 | 85% | 0.851 | S | S | * | * | trans | 175.5 | 142 | 152.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 11 | P | 35.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 157 Ų | 157 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -107 | 159.1 | -146.9 | 37.4 | -27.7 | 0 | 0 | 0 | 115.5 | ||||
| 12 | V | 32.8 | Very low | 29.5 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 119 | 169.6 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 13 | G | 28.7 | Very low | 29.2 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 138 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 14 | L | 32.6 | Very low | 29 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.6 | 158.8 | -92.1 | 85.6 | 0 | 0 | 0 | 110 | ||
| 15 | L | 30.8 | Very low | 28.8 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -134 | 106.6 | 158 | -88.7 | 165.5 | 0 | 0 | 0 | 109.8 | ||||
| 16 | L | 29.1 | Very low | 28.7 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -66.6 | 141.4 | 152.7 | -92.1 | 80.3 | 0 | 0 | 0 | 109 | ||||
| 17 | R | 28.9 | Very low | 28.5 | Very low | 245 Ų | 245 | 145.9 Ų | 145.9 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -155.9 | 122.5 | 141.5 | -110 | 177.5 | -169.3 | -142.5 | 2.3 | 111.1 | ||||
| 18 | C | 24.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 70% | 0.696 | 82% | 0.823 | S | S | * | * | trans | -61 | 158.9 | 168 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 19 | W | 25.3 | Very low | 28.5 | Very low | 258 Ų | 258 | 144.4 Ų | 144.4 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | -158.8 | 144.1 | 116.2 | -90.9 | 2.8 | 0 | 0 | 0 | 111.8 | |||||
| 20 | S | 25.7 | Very low | 28.5 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -87.5 | 153.5 | -166.7 | 38.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | L | 28 | Very low | 28.6 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -143.9 | 107.8 | 153.5 | -89.2 | 166 | 0 | 0 | 0 | 111.6 | ||||
| 22 | T | 28.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | 50.1 | 123.7 | 133.7 | 42.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 23 | S | 25.4 | Very low | 27.6 | Very low | 83 Ų | 83 | 145.6 Ų | 145.6 | 58% | 0.58 | 81% | 0.814 | S | S | * | * | trans | -58 | 143.6 | 166.9 | 168.1 | 0 | 0 | 0 | 0 | 114.7 | H25 | S23-H25 PolarHBondContact OG-CD2 3.22Š| ||
| 24 | C | 25 | Very low | 27.5 | Very low | 132 Ų | 132 | 147.7 Ų | 147.7 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -139.7 | 115.9 | 142.4 | -75.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 25 | H | 26.4 | Very low | 27.2 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 140.4 | 173.9 | -71.9 | -91.5 | 0 | 0 | 0 | 111.3 | S23 | S23-H25 PolarHBondContact OG-CD2 3.22Š| ||
| 26 | T | 28 | Very low | 27 | Very low | 142 Ų | 142 | 148 Ų | 148 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | trans | -145 | 109.5 | 149.1 | -2.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 27 | A | 26.9 | Very low | 27 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 132.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 28 | V | 28.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 124.8 | 160.7 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 29 | T | 29.1 | Very low | 27.1 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 138.9 | -167.4 | 41.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 30 | T | 31.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -73.3 | 151.1 | 159.3 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 31 | P | 29.3 | Very low | 27.3 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -106.8 | 122.7 | 152.8 | 28.2 | -15.1 | 0 | 0 | 0 | 110.3 | ||||
| 32 | R | 25.8 | Very low | 27.2 | Very low | 242 Ų | 242 | 145 Ų | 145 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -69 | 138.9 | 155.4 | -79 | 174.8 | 162.7 | 172.4 | -5.1 | 108.5 | ||||
| 33 | C | 22.1 | Very low | 27.3 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -126.1 | 125.3 | 156.7 | -159.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 34 | T | 27.3 | Very low | 27.5 | Very low | 114 Ų | 114 | 145.3 Ų | 145.3 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | -100.1 | 140.1 | -179.1 | 31.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 35 | L | 27.1 | Very low | 27.9 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | 68.9 | 116.1 | 150.3 | -63 | 168 | 0 | 0 | 0 | 119 | ||||
| 36 | L | 26.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | -153.6 | 119.7 | 119.2 | -105.4 | 153.5 | 0 | 0 | 0 | 109.6 | |||||
| 37 | A | 29.1 | Very low | 28.3 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -71.2 | 132.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 38 | S | 26 | Very low | 28.7 | Very low | 93 Ų | 93 | 150.8 Ų | 150.8 | 65% | 0.65 | 82% | 0.822 | S | S | * | * | trans | -139.4 | 110 | 160.8 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | Y40 | S38-Y40 WeakPolarHBondContact OG-CD2 3.42Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 39 | R | 28.6 | Very low | 28.9 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -80.9 | 119 | 167.2 | -71.5 | 179.1 | 179.8 | -175.9 | -0.2 | 107 | ||||
| 40 | Y | 27.4 | Very low | 29.2 | Very low | 214 Ų | 214 | 148.3 Ų | 148.3 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | trans | -136.7 | 114 | 153.3 | -78.7 | -78.6 | 0 | 0 | 0 | 108.6 | S38 | S38-Y40 WeakPolarHBondContact OG-CD2 3.42Å; S38-Y40 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 41 | F | 27.3 | Very low | 29.2 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -72.7 | 132.4 | 156.8 | -76.7 | -87.1 | 0 | 0 | 0 | 107.6 | ||||
| 42 | S | 25.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -162.4 | 126.7 | 141.9 | -124.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 43 | S | 30.1 | Very low | 30 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -72.3 | 131.9 | 171.1 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 44 | S | 30.3 | Very low | 30.5 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -172.3 | 119.8 | 149.6 | 49.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 45 | Y | 33.2 | Very low | 31.2 | Very low | 219 Ų | 219 | 145.4 Ų | 145.4 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | 33.7 | 136.5 | 150.8 | -62.9 | -86 | 0 | 0 | 0 | 121 | A47 | Y45-A47 PolarHBondContact O-N 3.49Š| ||
| 46 | P | 33.7 | Very low | 32.3 | Very low | 130 Ų | 130 | 146 Ų | 146 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 123 | 177.5 | 27.4 | -30.8 | 0 | 0 | 0 | 110.8 | ||
| 47 | A | 29.6 | Very low | 34 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 135.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y45 A49 | Y45-A47 PolarHBondContact O-N 3.49Å; A47-A49 PolarHBondContact O-N 3.2Å |
| 48 | K | 35 | Very low | 36.2 | Very low | 209 Ų | 209 | 140.3 Ų | 140.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.7 | 170.6 | -84.1 | 175.8 | 170.4 | -179.9 | 0 | 110.7 | ||
| 49 | A | 33 | Very low | 39 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 153 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A47 | A47-A49 PolarHBondContact O-N 3.2Š|
| 50 | P | 34.4 | Very low | 41.7 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 136.7 | -174.1 | 27.8 | -32.4 | 0 | 0 | 0 | 111.4 | H52 | P50-H52 PolarHBondContact O-N 3.25Š|
| 51 | T | 32.3 | Very low | 44.6 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.4 | 178.3 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 52 | H | 35.1 | Very low | 47.8 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 82% | 0.819 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 125.6 | 163.1 | -148.8 | -83.3 | 0 | 0 | 0 | 107.4 | P50 G54 | P50-H52 PolarHBondContact O-N 3.25Å; H52-G54 PolarHBondContact O-N 3.45Å |
| 53 | D | 35.8 | Very low | 51.1 | Low | 162 Ų | 162 | 117.7 Ų | 117.7 | 87% | 0.866 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -67.6 | 116.9 | 176 | -87 | -37.9 | 0 | 0 | 0 | 110 | ||
| 54 | G | 34 | Very low | 54.2 | Low | 56 Ų | 56 | 115.6 Ų | 115.6 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 158.1 | 117.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | H52 E56 | H52-G54 PolarHBondContact O-N 3.45Å; G54-E56 PolarHBondContact O-N 3.29Å |
| 55 | V | 40.8 | Very low | 57.4 | Low | 157 Ų | 157 | 112.4 Ų | 112.4 | 95% | 0.952 | 64% | 0.638 | S | S | * | * | trans | -65.7 | 87.8 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 107 | A57 | V55-A57 PolarHBondContact O-N 3.25Š| ||
| 56 | E | 51.1 | Low | 60.4 | Low | 170 Ų | 170 | 106.4 Ų | 106.4 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | trans | -68.2 | 113.5 | 170.3 | -77.5 | -176.3 | 169.3 | 0 | 0 | 107.1 | G54 S58 | G54-E56 PolarHBondContact O-N 3.29Å; E56-S58 PolarHBondContact O-N 3.44Å | ||
| 57 | A | 62.6 | Low | 63.5 | Low | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 137.4 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | V55 | V55-A57 PolarHBondContact O-N 3.25Š|
| 58 | S | 75.1 | Confident | 66.6 | Low | 92 Ų | 92 | 97 Ų | 97 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 131.3 | 177.8 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | E56 | E56-S58 PolarHBondContact O-N 3.44Š|
| 59 | P | 83.9 | Confident | 69.4 | Low | 39 Ų | 39 | 89.1 Ų | 89.1 | 25% | 0.253 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.9 | -178.2 | 19.3 | -24.6 | 0 | 0 | 0 | 110.9 | R61 Q62 V101 | P59-R61 PolarHBondContact O-N 2.76Å; P59-Q62 HydrophobicContact CB-CG 3.87Å; P59-Q62 VanDerWaalsContact CG-CD 3.41Å; P59-Q62 HydrophobicContact CG-CG 3.53Å; P59-V101 CarbonylContact C-O 3.45Å; P59-V101 WeakPolarHBondContact CA-O 3.42Å; P59-V101 WeakPolarHBondContact CB-O 3.32Å |
| 60 | L | 85 | Confident | 72.4 | Confident | 55 Ų | 55 | 91.6 Ų | 91.6 | 29% | 0.288 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -61.5 | -35.1 | 177.5 | -62.4 | 174.7 | 0 | 0 | 0 | 111.7 | V101 Q108 | L60-V101 PolarHBondContact N-O 2.84Å; L60-Q108 HydrophobicContact CD2-CG 4.09Å |
| 61 | R | 88.9 | Confident | 75.3 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 42% | 0.419 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 149 | 179 | -151.7 | 165.6 | -161.7 | -157.7 | 11.7 | 110.6 | P59 W63 S100 V101 T112 L115 | P59-R61 PolarHBondContact O-N 2.76Å; R61-W63 HydrophobicContact CB-CH2 4.07Å; R61-W63 HydrophobicContact CB-CZ3 4.2Å; R61-W63 VanDerWaalsContact CD-CH2 3.48Å; R61-W63 HydrophobicContact CG-CH2 3.75Å; R61-W63 HydrophobicContact CG-CZ2 3.92Å; R61-W63 HydrophobicContact CG-CZ3 4.18Å; R61-S100 WeakPolarHBondContact O-CA 3.49Å; R61-V101 HydrophobicContact CB-CB 4.28Å; R61-V101 HydrophobicContact CB-CG2 4.14Å; R61-V101 PolarHBondContact O-N 2.93Å; R61-T112 PolarHBondContact NH1-O 3.42Å; R61-L115 PolarHBondContact NH1-O 3.32Å |
| 62 | Q | 93.4 | Very high | 78.5 | Confident | 132 Ų | 132 | 80.1 Ų | 80.1 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.1 | 176.4 | -67.1 | -172.1 | -37.1 | 0 | 0 | 112 | P59 I99 | P59-Q62 HydrophobicContact CB-CG 3.87Å; P59-Q62 VanDerWaalsContact CG-CD 3.41Å; P59-Q62 HydrophobicContact CG-CG 3.53Å; Q62-I99 CarbonylContact C-O 3.53Å; Q62-I99 WeakPolarHBondContact CA-O 3.46Å |
| 63 | W | 95.8 | Very high | 81.5 | Confident | 48 Ų | 48 | 71.7 Ų | 71.7 | 18% | 0.182 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 142.6 | 168 | -61.9 | -96.6 | 0 | 0 | 0 | 110.1 | R61 L65 L98 I99 V101 L115 V117 | R61-W63 HydrophobicContact CB-CH2 4.07Å; R61-W63 HydrophobicContact CB-CZ3 4.2Å; R61-W63 VanDerWaalsContact CD-CH2 3.48Å; R61-W63 HydrophobicContact CG-CH2 3.75Å; R61-W63 HydrophobicContact CG-CZ2 3.92Å; R61-W63 HydrophobicContact CG-CZ3 4.18Å; W63-L65 HydrophobicContact CB-CD2 4.4Å; W63-L65 HydrophobicContact CB-CG 4.26Å; W63-L98 WeakPolarHBondContact O-CA 3.49Å; W63-I99 HydrophobicContact CB-CB 4.35Å; W63-I99 HydrophobicContact CE3-CB 4.02Å; W63-I99 HydrophobicContact CE3-CG2 3.8Å; W63-I99 HydrophobicContact CZ3-CG2 4.14Å; W63-I99 PolarHBondContact N-O 2.92Å; W63-I99 PolarHBondContact O-N 3.49Å; W63-V101 HydrophobicContact CH2-CG2 4.13Å; W63-V101 HydrophobicContact CZ3-CG2 3.52Å; W63-L115 HydrophobicContact CH2-CD2 3.46Å; W63-L115 VanDerWaalsContact CH2-CD2 3.46Å; W63-L115 HydrophobicContact CH2-CG 3.78Å; W63-L115 HydrophobicContact CZ3-CD2 3.88Å; W63-L115 HydrophobicContact CZ3-CG 4.48Å; W63-V117 HydrophobicContact CD2-CB 4.11Å; W63-V117 HydrophobicContact CD2-CG1 4.47Å; W63-V117 HydrophobicContact CD2-CG2 3.93Å; W63-V117 HydrophobicContact CE3-CG2 3.91Å; W63-V117 HydrophobicContact CG-CB 4.39Å; W63-V117 HydrophobicContact CG-CG1 4.38Å; W63-V117 HydrophobicContact CH2-CG2 3.81Å; W63-V117 HydrophobicContact CZ2-CB 4.27Å; W63-V117 HydrophobicContact CZ2-CG2 3.84Å; W63-V117 HydrophobicContact CZ3-CG2 3.84Å |
| 64 | A | 96.3 | Very high | 84.5 | Confident | 69 Ų | 69 | 68.7 Ų | 68.7 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 103 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L98 | A64-L98 HydrophobicContact CB-CD2 3.88Å |
| 65 | L | 96.9 | Very high | 87.5 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.1 | -173.1 | -57.1 | 174.6 | 0 | 0 | 0 | 110.6 | W63 V67 R96 A97 I99 V117 L126 | W63-L65 HydrophobicContact CB-CD2 4.4Å; W63-L65 HydrophobicContact CB-CG 4.26Å; L65-V67 HydrophobicContact CB-CG1 3.92Å; L65-R96 VanDerWaalsContact O-CA 3.3Å; L65-R96 WeakPolarHBondContact O-CA 3.41Å; L65-R96 WeakPolarHBondContact O-CD 3.43Å; L65-A97 PolarHBondContact N-O 2.8Å; L65-A97 PolarHBondContact O-N 2.8Å; L65-I99 HydrophobicContact CD1-CD1 4.16Å; L65-V117 HydrophobicContact CD1-CG1 3.77Å; L65-L126 HydrophobicContact CD1-CD1 3.56Å; L65-L126 HydrophobicContact CD1-CD2 4.36Å |
| 66 | D | 96.5 | Very high | 90.2 | Very high | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.3 | 163.4 | -78.8 | -65.2 | 0 | 0 | 0 | 108.9 | N95 R96 Y119 | D66-N95 WeakPolarHBondContact CA-O 3.49Å; D66-R96 IonicContact OD1-CZ 3.96Å; D66-R96 IonicContact OD1-NE 2.73Å; D66-R96 PolarHBondContact OD1-NE 2.89Å; D66-R96 IonicContact OD1-NH1 2.89Å; D66-R96 PolarHBondContact OD1-NH1 3.06Å; D66-R96 IonicContact OD1-NH2 2.77Å; D66-R96 PolarHBondContact OD1-NH2 2.91Å; D66-R96 IonicContact OD2-CZ 3.79Å; D66-R96 IonicContact OD2-NH1 3.33Å; D66-R96 PolarHBondContact OD2-NH1 3.04Å; D66-R96 IonicContact OD2-NH2 3.33Å; D66-R96 PolarHBondContact OD2-NH2 2.86Å; D66-Y119 VanDerWaalsContact O-CD1 3.29Å; D66-Y119 WeakPolarHBondContact O-CD1 3.35Å; D66-Y119 VanDerWaalsContact O-CE1 3.3Å; D66-Y119 WeakPolarHBondContact O-CE1 3.45Å |
| 67 | V | 97.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | trans | -131 | 162.1 | -176 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | L65 T71 N95 A97 Y119 P144 | L65-V67 HydrophobicContact CB-CG1 3.92Å; V67-T71 HydrophobicContact CB-CG2 4.4Å; V67-T71 HydrophobicContact CG2-CG2 4.24Å; V67-N95 PolarHBondContact N-O 3.03Å; V67-N95 CarbonylContact O-C 3.54Å; V67-N95 WeakPolarHBondContact O-CA 3.48Å; V67-N95 WeakPolarHBondContact O-CB 3.41Å; V67-A97 HydrophobicContact CG1-CB 3.9Å; V67-A97 HydrophobicContact CG2-CB 3.96Å; V67-Y119 HydrophobicContact CB-CD2 4.28Å; V67-Y119 HydrophobicContact CB-CE1 4.38Å; V67-Y119 HydrophobicContact CB-CE2 3.9Å; V67-Y119 HydrophobicContact CG1-CD1 4.18Å; V67-Y119 HydrophobicContact CG1-CD2 3.72Å; V67-Y119 HydrophobicContact CG1-CE1 4.33Å; V67-Y119 HydrophobicContact CG1-CE2 3.87Å; V67-Y119 HydrophobicContact CG1-CG 3.88Å; V67-P144 HydrophobicContact CG2-CG 3.72Å | ||
| 68 | S | 95.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | trans | -66 | 141.4 | 170 | 177 | 0 | 0 | 0 | 0 | 110.8 | F70 T71 Y119 Q124 | S68-F70 PolarHBondContact O-N 3.21Å; S68-F70 VanDerWaalsContact O-N 3.09Å; S68-F70 PolarHBondContact OG-N 3.33Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 WeakPolarHBondContact O-CG2 3.42Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.12Å; S68-Y119 PolarHBondContact N-OH 3.34Å; S68-Q124 PolarHBondContact OG-OE1 3.1Å | ||
| 69 | P | 94.5 | Very high | 94.7 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 29% | 0.286 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -19.9 | 170.4 | -25.5 | 35.2 | 0 | 0 | 0 | 114.6 | E93 A94 P144 | P69-E93 WeakPolarHBondContact CG-O 3.49Å; P69-A94 VanDerWaalsContact CA-O 3.25Å; P69-A94 WeakPolarHBondContact CA-O 3.18Å; P69-A94 HydrophobicContact CB-CB 4.33Å; P69-P144 WeakPolarHBondContact O-CB 3.4Å |
| 70 | F | 94.7 | Very high | 95.4 | Very high | 138 Ų | 138 | 48.5 Ų | 48.5 | 61% | 0.605 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | 35.1 | 178.8 | -55.6 | -80.3 | 0 | 0 | 0 | 111.8 | S68 K146 | S68-F70 PolarHBondContact O-N 3.21Å; S68-F70 VanDerWaalsContact O-N 3.09Å; S68-F70 PolarHBondContact OG-N 3.33Å; F70-K146 HydrophobicContact CD1-CB 3.83Å; F70-K146 HydrophobicContact CD1-CG 4.34Å; F70-K146 HydrophobicContact CE1-CB 4.09Å; F70-K146 HydrophobicContact CE1-CG 4.1Å |
| 71 | T | 96.1 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66.5 | 159.6 | -178.4 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | V67 S68 Q124 P144 T147 N148 | V67-T71 HydrophobicContact CB-CG2 4.4Å; V67-T71 HydrophobicContact CG2-CG2 4.24Å; S68-T71 VanDerWaalsContact O-CB 3.31Å; S68-T71 WeakPolarHBondContact O-CB 3.2Å; S68-T71 WeakPolarHBondContact O-CG2 3.42Å; S68-T71 PolarHBondContact O-N 2.89Å; S68-T71 VanDerWaalsContact O-N 3.12Å; T71-Q124 WeakPolarHBondContact CA-O 3.38Å; T71-Q124 WeakPolarHBondContact CB-O 3.5Å; T71-Q124 PolarHBondContact OG1-O 2.79Å; T71-P144 HydrophobicContact CG2-CG 4.29Å; T71-T147 HydrophobicContact CG2-CG2 3.9Å; T71-T147 WeakPolarHBondContact CG2-OG1 3.34Å; T71-T147 VanDerWaalsContact O-CA 3.25Å; T71-T147 WeakPolarHBondContact O-CA 3.48Å; T71-N148 PolarHBondContact O-N 3.36Å | ||
| 72 | T | 98.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | 169.9 | -66.1 | 0 | 0 | 0 | 0 | 109.9 | R74 Q124 E125 L126 N148 F150 | T72-R74 HydrophobicContact CG2-CG 4.39Å; T72-Q124 PolarHBondContact N-O 3.3Å; T72-E125 CarbonylContact O-C 3.51Å; T72-E125 VanDerWaalsContact O-CA 3.3Å; T72-E125 WeakPolarHBondContact O-CA 2.9Å; T72-L126 PolarHBondContact O-N 2.89Å; T72-N148 HydrophobicContact CG2-CB 4.22Å; T72-F150 HydrophobicContact CG2-CD2 3.56Å; T72-F150 HydrophobicContact CG2-CE2 3.52Å |
| 73 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 128.6 | 175.3 | 174 | 0 | 0 | 0 | 0 | 109.8 | L126 I128 M141 T147 N148 L149 F150 | V73-L126 CarbonylContact C-O 3.31Å; V73-L126 WeakPolarHBondContact CA-O 3.34Å; V73-L126 HydrophobicContact CG2-CB 4.1Å; V73-L126 HydrophobicContact CG2-CD2 4.13Å; V73-L126 HydrophobicContact CG2-CG 4.33Å; V73-I128 HydrophobicContact CG1-CD1 4.29Å; V73-M141 HydrophobicContact CB-CE 4.43Å; V73-M141 HydrophobicContact CG1-CE 4.28Å; V73-M141 HydrophobicContact CG1-SD 4.1Å; V73-M141 HydrophobicContact CG2-CE 3.32Å; V73-M141 HydrophobicContact CG2-SD 4.15Å; V73-T147 HydrophobicContact CB-CG2 4.08Å; V73-T147 HydrophobicContact CG2-CG2 3.39Å; V73-N148 PolarHBondContact N-O 2.95Å; V73-L149 HydrophobicContact CB-CD2 4.04Å; V73-L149 HydrophobicContact CG2-CD2 4.45Å; V73-F150 PolarHBondContact O-N 2.91Å |
| 74 | R | 98.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 114.7 | 170 | -56.7 | 179.2 | 176.9 | -80.6 | -4.4 | 108.9 | T72 E125 L126 L127 I128 F150 | T72-R74 HydrophobicContact CG2-CG 4.39Å; R74-E125 IonicContact CZ-OE1 3.52Å; R74-E125 VanDerWaalsContact CZ-OE1 3.3Å; R74-E125 VanDerWaalsContact NE-CD 3.28Å; R74-E125 IonicContact NE-OE1 2.66Å; R74-E125 PolarHBondContact NE-OE1 3.34Å; R74-E125 IonicContact NE-OE2 3.3Å; R74-E125 PolarHBondContact NE-OE2 3.37Å; R74-E125 IonicContact NH2-OE1 4Å; R74-E125 PolarHBondContact NH2-OE1 3.02Å; R74-L126 PolarHBondContact N-O 3.19Å; R74-L127 HydrophobicContact CB-CD2 3.75Å; R74-L127 HydrophobicContact CG-CD2 4.21Å; R74-L127 WeakPolarHBondContact O-CA 3.29Å; R74-I128 PolarHBondContact O-N 2.87Å; R74-F150 CarbonylContact C-O 3.6Å; R74-F150 VanDerWaalsContact CA-O 3.3Å; R74-F150 WeakPolarHBondContact CA-O 3.48Å; R74-F150 HydrophobicContact CG-CB 4.27Å; R74-F150 HydrophobicContact CG-CD2 4.47Å |
| 75 | A | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L77 I81 I128 F150 I151 T152 | A75-L77 HydrophobicContact CB-CD1 4.03Å; A75-L77 HydrophobicContact CB-CD2 4.33Å; A75-L77 HydrophobicContact CB-CG 4.07Å; A75-I81 HydrophobicContact CB-CD1 4.24Å; A75-I128 CarbonylContact C-O 3.1Å; A75-I128 VanDerWaalsContact CA-O 3.24Å; A75-I128 WeakPolarHBondContact CA-O 3.44Å; A75-I128 HydrophobicContact CB-CB 4.2Å; A75-F150 PolarHBondContact N-O 3.34Å; A75-I151 HydrophobicContact CB-CG1 4.28Å; A75-I151 HydrophobicContact CB-CG2 4.31Å; A75-T152 PolarHBondContact O-N 2.73Å |
| 76 | R | 97.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 43% | 0.426 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.5 | 170.9 | -68.2 | -168.7 | 69 | -134.6 | -11.2 | 109.2 | I128 S129 A130 E131 T152 E154 | R76-I128 PolarHBondContact N-O 2.92Å; R76-S129 CarbonylContact O-C 3.52Å; R76-S129 WeakPolarHBondContact O-CA 3.39Å; R76-A130 PolarHBondContact O-N 2.83Å; R76-E131 HydrophobicContact CB-CG 4.24Å; R76-E131 IonicContact CZ-OE1 3.12Å; R76-E131 IonicContact CZ-OE2 2.92Å; R76-E131 IonicContact NE-OE1 3.13Å; R76-E131 IonicContact NH1-OE1 2.72Å; R76-E131 PolarHBondContact NH1-OE1 2.87Å; R76-E131 IonicContact NH1-OE2 3.56Å; R76-E131 IonicContact NH2-OE1 2.72Å; R76-E131 PolarHBondContact NH2-OE1 3.35Å; R76-E131 IonicContact NH2-OE2 3.49Å; R76-E131 PolarHBondContact NH2-OE2 2.87Å; R76-T152 WeakPolarHBondContact CA-O 3.33Å; R76-E154 IonicContact CZ-OE1 2.77Å; R76-E154 IonicContact NH2-OE1 2.78Å; R76-E154 PolarHBondContact NH2-OE1 2.86Å |
| 77 | L | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 143.9 | -162.2 | -45.8 | 171.9 | 0 | 0 | 0 | 112 | A75 I81 I128 A130 I139 T152 T153 E154 | A75-L77 HydrophobicContact CB-CD1 4.03Å; A75-L77 HydrophobicContact CB-CD2 4.33Å; A75-L77 HydrophobicContact CB-CG 4.07Å; L77-I81 HydrophobicContact CD1-CB 3.55Å; L77-I81 HydrophobicContact CD1-CD1 3.78Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD1-CG2 3.63Å; L77-I128 HydrophobicContact CD2-CB 4.41Å; L77-I128 HydrophobicContact CD2-CG2 3.73Å; L77-A130 HydrophobicContact CB-CB 4.44Å; L77-A130 HydrophobicContact CD2-CB 3.58Å; L77-I139 HydrophobicContact CD1-CD1 4.31Å; L77-I139 HydrophobicContact CD2-CD1 3.81Å; L77-T152 PolarHBondContact N-O 3.31Å; L77-T153 HydrophobicContact CB-CG2 4.32Å; L77-T153 CarbonylContact O-C 3.59Å; L77-T153 WeakPolarHBondContact O-CA 3.23Å; L77-E154 PolarHBondContact O-N 3.33Å |
| 78 | G | 93.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 8% | 0.082 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -91 | -2.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A130 V133 | G78-A130 PolarHBondContact N-O 3.38Å; G78-V133 CarbonylContact C-O 3.56Å; G78-V133 VanDerWaalsContact CA-O 3.23Å; G78-V133 WeakPolarHBondContact CA-O 3.47Å; G78-V133 VanDerWaalsContact O-O 3.13Å |
| 79 | C | 94.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -117.9 | 180 | -170.2 | 63.5 | 0 | 0 | 0 | 0 | 113 | V133 N134 V137 G157 | C79-V133 HydrophobicContact CB-CB 4.17Å; C79-V133 HydrophobicContact CB-CG1 3.87Å; C79-V133 PolarHBondContact N-O 2.9Å; C79-N134 WeakPolarHBondContact CB-O 3.22Å; C79-V137 HydrophobicContact CB-CB 4.12Å; C79-V137 WeakPolarHBondContact CB-O 3.35Å; C79-G157 VanDerWaalsContact O-CA 3.29Å; C79-G157 WeakPolarHBondContact O-CA 3.35Å |
| 80 | N | 97.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 148.7 | 178.7 | -50.6 | -53.2 | 0 | 0 | 0 | 111.2 | S135 V137 T138 I139 N158 | N80-S135 PolarHBondContact ND2-O 2.86Å; N80-V137 PolarHBondContact N-O 2.86Å; N80-V137 PolarHBondContact ND2-O 2.95Å; N80-T138 HydrophobicContact CB-CG2 4.13Å; N80-T138 PolarHBondContact ND2-OG1 2.88Å; N80-T138 WeakPolarHBondContact O-CA 3.4Å; N80-I139 PolarHBondContact O-N 3.45Å; N80-N158 CarbonylContact C-O 3.59Å; N80-N158 VanDerWaalsContact CA-O 3.22Å; N80-N158 WeakPolarHBondContact CA-O 3.45Å; N80-N158 WeakPolarHBondContact OD1-CB 3.29Å; N80-N158 PolarHBondContact OD1-N 2.73Å; N80-N158 PolarHBondContact OD1-ND2 2.96Å |
| 81 | I | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 138.1 | 170.5 | -175.5 | 166.7 | 0 | 0 | 0 | 111.8 | A75 L77 V83 I139 I151 N158 V159 Q160 | A75-I81 HydrophobicContact CB-CD1 4.24Å; L77-I81 HydrophobicContact CD1-CB 3.55Å; L77-I81 HydrophobicContact CD1-CD1 3.78Å; L77-I81 HydrophobicContact CD1-CG1 4.22Å; L77-I81 HydrophobicContact CD1-CG2 3.63Å; I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 3.94Å; I81-I139 CarbonylContact C-O 3.54Å; I81-I139 VanDerWaalsContact CA-O 3.25Å; I81-I139 WeakPolarHBondContact CA-O 3.43Å; I81-I139 HydrophobicContact CB-CB 4.44Å; I81-I139 HydrophobicContact CD1-CG2 4.45Å; I81-I139 HydrophobicContact CG1-CB 4.3Å; I81-I139 HydrophobicContact CG1-CG2 4.39Å; I81-I151 HydrophobicContact CG2-CG2 3.78Å; I81-N158 PolarHBondContact N-O 2.87Å; I81-V159 HydrophobicContact CG2-CB 4.38Å; I81-V159 HydrophobicContact CG2-CG1 4.18Å; I81-V159 HydrophobicContact CG2-CG2 4.02Å; I81-V159 CarbonylContact O-C 3.34Å; I81-Q160 PolarHBondContact O-N 3.45Å |
| 82 | C | 98.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 116.6 | 170.1 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | I139 E140 M141 Q160 | C82-I139 PolarHBondContact N-O 2.8Å; C82-E140 HydrophobicContact CB-CG 4.49Å; C82-E140 WeakPolarHBondContact O-CA 3.41Å; C82-M141 PolarHBondContact O-N 3.03Å; C82-Q160 CarbonylContact C-O 3.48Å; C82-Q160 WeakPolarHBondContact CA-O 3.3Å; C82-Q160 HydrophobicContact CB-CB 4.17Å |
| 83 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.4 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | I81 M141 A143 L149 I151 Q160 K162 M164 | I81-V83 HydrophobicContact CD1-CG2 3.94Å; I81-V83 HydrophobicContact CG1-CG2 3.94Å; V83-M141 WeakPolarHBondContact CA-O 3.49Å; V83-M141 HydrophobicContact CG1-SD 4.48Å; V83-M141 HydrophobicContact CG2-CB 4.39Å; V83-M141 HydrophobicContact CG2-SD 4.49Å; V83-A143 HydrophobicContact CG1-CB 4.34Å; V83-L149 HydrophobicContact CG1-CD1 4.3Å; V83-L149 HydrophobicContact CG1-CD2 4.03Å; V83-I151 HydrophobicContact CG2-CD1 3.91Å; V83-Q160 PolarHBondContact N-O 3.23Å; V83-K162 PolarHBondContact O-N 3.49Å; V83-M164 HydrophobicContact CG1-CG 4.44Å; V83-M164 HydrophobicContact CG1-SD 4.33Å |
| 84 | R | 98.2 | Very high | 94.7 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 159.1 | 175.9 | 64.1 | -174.2 | 172 | 83.5 | 2.8 | 110.5 | M141 D142 A143 K162 | R84-M141 PolarHBondContact N-O 2.77Å; R84-D142 WeakPolarHBondContact CD-OD1 3.48Å; R84-D142 WeakPolarHBondContact CG-OD1 3.35Å; R84-D142 IonicContact CZ-OD1 3.52Å; R84-D142 IonicContact CZ-OD2 3.97Å; R84-D142 IonicContact NE-OD1 3.11Å; R84-D142 PolarHBondContact NE-OD1 2.86Å; R84-D142 IonicContact NH1-OD1 2.74Å; R84-D142 PolarHBondContact NH1-OD1 2.88Å; R84-D142 IonicContact NH1-OD2 3.16Å; R84-D142 PolarHBondContact NH1-OD2 3.11Å; R84-D142 VanDerWaalsContact NH1-OD2 3.11Å; R84-D142 IonicContact NH2-OD1 2.7Å; R84-D142 PolarHBondContact NH2-OD1 2.71Å; R84-D142 VanDerWaalsContact NH2-OD1 3.1Å; R84-D142 IonicContact NH2-OD2 3.4Å; R84-D142 PolarHBondContact NH2-OD2 2.79Å; R84-D142 WeakPolarHBondContact O-CA 3.25Å; R84-A143 PolarHBondContact O-N 3.36Å; R84-K162 HydrophobicContact CB-CB 4.34Å |
| 85 | P | 97.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 142.6 | 177.6 | 26.8 | -36.3 | 0 | 0 | 0 | 110 | A143 I145 K162 K163 M164 | P85-A143 CarbonylContact C-O 3.55Å; P85-A143 WeakPolarHBondContact CA-O 3.12Å; P85-I145 HydrophobicContact CB-CB 4.16Å; P85-I145 HydrophobicContact CB-CD1 4.47Å; P85-I145 HydrophobicContact CB-CG1 4.1Å; P85-K162 WeakPolarHBondContact CD-O 3.46Å; P85-K163 HydrophobicContact CG-CB 4.02Å; P85-M164 HydrophobicContact CB-SD 4.09Å |
| 86 | L | 96.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | trans | -58 | 142.6 | 166.5 | -170.7 | 72.6 | 0 | 0 | 0 | 109.9 | V88 Y91 R96 L98 D142 A143 | L86-V88 PolarHBondContact O-N 2.93Å; L86-Y91 HydrophobicContact CD1-CD2 3.65Å; L86-Y91 HydrophobicContact CD1-CE2 3.97Å; L86-Y91 HydrophobicContact CD1-CG 4.19Å; L86-Y91 HydrophobicContact CD2-CD1 4.47Å; L86-Y91 HydrophobicContact CD2-CD2 3.96Å; L86-Y91 HydrophobicContact CD2-CG 3.7Å; L86-Y91 HydrophobicContact CG-CD2 3.69Å; L86-Y91 HydrophobicContact CG-CE2 4.49Å; L86-Y91 HydrophobicContact CG-CG 3.98Å; L86-R96 HydrophobicContact CD2-CB 3.93Å; L86-R96 WeakPolarHBondContact CD2-O 3.25Å; L86-L98 HydrophobicContact CD1-CD1 3.85Å; L86-L98 HydrophobicContact CD1-CG 3.93Å; L86-D142 HydrophobicContact CD1-CB 3.89Å; L86-A143 WeakPolarHBondContact CB-O 3.28Å; L86-A143 PolarHBondContact N-O 3Å | ||
| 87 | D | 93.5 | Very high | 94.5 | Very high | 82 Ų | 82 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | trans | -65 | 109.9 | 174.7 | -179.9 | 8.4 | 0 | 0 | 0 | 110.5 | H89 A90 Y91 | D87-H89 PolarHBondContact O-N 2.91Å; D87-H89 WeakPolarHBondContact OD1-CB 3.46Å; D87-H89 IonicContact OD1-CD2 3.67Å; D87-H89 IonicContact OD1-CG 3.01Å; D87-H89 PolarHBondContact OD1-N 3.1Å; D87-A90 HydrophobicContact CB-CB 4.1Å; D87-A90 PolarHBondContact O-N 2.82Å; D87-Y91 PolarHBondContact O-N 2.84Å | ||
| 88 | V | 89.8 | Confident | 94.5 | Very high | 83 Ų | 83 | 52 Ų | 52 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -26.1 | -178.8 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L86 Y91 S92 | L86-V88 PolarHBondContact O-N 2.93Å; V88-Y91 CarbonylContact O-C 3.47Å; V88-S92 WeakPolarHBondContact O-CA 3.32Å; V88-S92 PolarHBondContact O-N 2.82Å |
| 89 | H | 89.6 | Confident | 94.7 | Very high | 182 Ų | 182 | 51.8 Ų | 51.8 | 84% | 0.843 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -37.3 | 177.8 | -65.1 | -61.6 | 0 | 0 | 0 | 112.1 | D87 | D87-H89 PolarHBondContact O-N 2.91Å; D87-H89 WeakPolarHBondContact OD1-CB 3.46Å; D87-H89 IonicContact OD1-CD2 3.67Å; D87-H89 IonicContact OD1-CG 3.01Å; D87-H89 PolarHBondContact OD1-N 3.1Å |
| 90 | A | 90.7 | Very high | 94.8 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -29.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D87 | D87-A90 HydrophobicContact CB-CB 4.1Å; D87-A90 PolarHBondContact O-N 2.82Å |
| 91 | Y | 91.5 | Very high | 94.6 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 34% | 0.337 | 27% | 0.272 | S | S | . | . | trans | -134.4 | 75.7 | -174.6 | -58.8 | -84.3 | 0 | 0 | 0 | 111.6 | L86 D87 V88 E93 A94 R96 L98 | L86-Y91 HydrophobicContact CD1-CD2 3.65Å; L86-Y91 HydrophobicContact CD1-CE2 3.97Å; L86-Y91 HydrophobicContact CD1-CG 4.19Å; L86-Y91 HydrophobicContact CD2-CD1 4.47Å; L86-Y91 HydrophobicContact CD2-CD2 3.96Å; L86-Y91 HydrophobicContact CD2-CG 3.7Å; L86-Y91 HydrophobicContact CG-CD2 3.69Å; L86-Y91 HydrophobicContact CG-CE2 4.49Å; L86-Y91 HydrophobicContact CG-CG 3.98Å; D87-Y91 PolarHBondContact O-N 2.84Å; V88-Y91 CarbonylContact O-C 3.47Å; Y91-E93 VanDerWaalsContact C-N 3.25Å; Y91-E93 PolarHBondContact O-N 3.06Å; Y91-A94 PolarHBondContact O-N 2.78Å; Y91-A94 VanDerWaalsContact O-N 3.1Å; Y91-R96 HydrophobicContact CD1-CB 4.22Å; Y91-R96 HydrophobicContact CD1-CG 3.83Å; Y91-R96 HydrophobicContact CE1-CG 4.11Å; Y91-L98 HydrophobicContact CE2-CD1 4.01Å | ||
| 92 | S | 90.1 | Very high | 94.3 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.6 | -175.8 | 59.4 | 0 | 0 | 0 | 0 | 114.3 | V88 A94 | V88-S92 WeakPolarHBondContact O-CA 3.32Å; V88-S92 PolarHBondContact O-N 2.82Å; S92-A94 PolarHBondContact O-N 2.9Å |
| 93 | E | 89.9 | Confident | 93.7 | Very high | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.8 | -177.4 | -57.1 | -49.6 | 117.5 | 0 | 0 | 113.4 | P69 Y91 N95 | P69-E93 WeakPolarHBondContact CG-O 3.49Å; Y91-E93 VanDerWaalsContact C-N 3.25Å; Y91-E93 PolarHBondContact O-N 3.06Å; E93-N95 HydrophobicContact CB-CB 4.32Å; E93-N95 PolarHBondContact O-N 2.92Å |
| 94 | A | 92.1 | Very high | 92.7 | Very high | 24 Ų | 24 | 57 Ų | 57 | 20% | 0.198 | 31% | 0.306 | C | S | . | . | trans | 48.9 | 34.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P69 Y91 S92 P144 | P69-A94 VanDerWaalsContact CA-O 3.25Å; P69-A94 WeakPolarHBondContact CA-O 3.18Å; P69-A94 HydrophobicContact CB-CB 4.33Å; Y91-A94 PolarHBondContact O-N 2.78Å; Y91-A94 VanDerWaalsContact O-N 3.1Å; S92-A94 PolarHBondContact O-N 2.9Å; A94-P144 HydrophobicContact CB-CB 4.36Å; A94-P144 VanDerWaalsContact O-CB 3.28Å; A94-P144 WeakPolarHBondContact O-CB 3.3Å; A94-P144 WeakPolarHBondContact O-CG 3.29Å | ||
| 95 | N | 94.2 | Very high | 91.1 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | trans | -109.1 | 23.2 | -174.3 | 68.9 | -19.2 | 0 | 0 | 0 | 113.1 | D66 V67 E93 | D66-N95 WeakPolarHBondContact CA-O 3.49Å; V67-N95 PolarHBondContact N-O 3.03Å; V67-N95 CarbonylContact O-C 3.54Å; V67-N95 WeakPolarHBondContact O-CA 3.48Å; V67-N95 WeakPolarHBondContact O-CB 3.41Å; E93-N95 HydrophobicContact CB-CB 4.32Å; E93-N95 PolarHBondContact O-N 2.92Å | ||
| 96 | R | 96.7 | Very high | 89.1 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.7 | -179.2 | -65.6 | -69.3 | -173.8 | -175.3 | -14.7 | 110.8 | L65 D66 L86 Y91 P144 | L65-R96 VanDerWaalsContact O-CA 3.3Å; L65-R96 WeakPolarHBondContact O-CA 3.41Å; L65-R96 WeakPolarHBondContact O-CD 3.43Å; D66-R96 IonicContact OD1-CZ 3.96Å; D66-R96 IonicContact OD1-NE 2.73Å; D66-R96 PolarHBondContact OD1-NE 2.89Å; D66-R96 IonicContact OD1-NH1 2.89Å; D66-R96 PolarHBondContact OD1-NH1 3.06Å; D66-R96 IonicContact OD1-NH2 2.77Å; D66-R96 PolarHBondContact OD1-NH2 2.91Å; D66-R96 IonicContact OD2-CZ 3.79Å; D66-R96 IonicContact OD2-NH1 3.33Å; D66-R96 PolarHBondContact OD2-NH1 3.04Å; D66-R96 IonicContact OD2-NH2 3.33Å; D66-R96 PolarHBondContact OD2-NH2 2.86Å; L86-R96 HydrophobicContact CD2-CB 3.93Å; L86-R96 WeakPolarHBondContact CD2-O 3.25Å; Y91-R96 HydrophobicContact CD1-CB 4.22Å; Y91-R96 HydrophobicContact CD1-CG 3.83Å; Y91-R96 HydrophobicContact CE1-CG 4.11Å; R96-P144 VanDerWaalsContact O-CD 3.32Å; R96-P144 WeakPolarHBondContact O-CD 3.36Å |
| 97 | A | 97.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | L65 V67 L126 M141 D142 | L65-A97 PolarHBondContact N-O 2.8Å; L65-A97 PolarHBondContact O-N 2.8Å; V67-A97 HydrophobicContact CG1-CB 3.9Å; V67-A97 HydrophobicContact CG2-CB 3.96Å; A97-L126 HydrophobicContact CB-CD2 3.86Å; A97-M141 HydrophobicContact CB-CE 4.24Å; A97-D142 CarbonylContact C-O 3.55Å; A97-D142 WeakPolarHBondContact CA-O 3.47Å |
| 98 | L | 97.7 | Very high | 85.3 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126 | 175.9 | -46.8 | 176 | 0 | 0 | 0 | 107.9 | W63 A64 L86 Y91 M141 D142 | W63-L98 WeakPolarHBondContact O-CA 3.49Å; A64-L98 HydrophobicContact CB-CD2 3.88Å; L86-L98 HydrophobicContact CD1-CD1 3.85Å; L86-L98 HydrophobicContact CD1-CG 3.93Å; Y91-L98 HydrophobicContact CE2-CD1 4.01Å; L98-M141 CarbonylContact O-C 3.48Å; L98-M141 WeakPolarHBondContact O-CA 3.25Å; L98-D142 HydrophobicContact CB-CB 4.13Å; L98-D142 HydrophobicContact CG-CB 4.49Å; L98-D142 PolarHBondContact N-O 2.96Å; L98-D142 PolarHBondContact O-N 2.79Å |
| 99 | I | 97.5 | Very high | 83.5 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.3 | -178.8 | -58.6 | 159.2 | 0 | 0 | 0 | 107.4 | Q62 W63 L65 V117 L126 I128 I139 E140 M141 | Q62-I99 CarbonylContact C-O 3.53Å; Q62-I99 WeakPolarHBondContact CA-O 3.46Å; W63-I99 HydrophobicContact CB-CB 4.35Å; W63-I99 HydrophobicContact CE3-CB 4.02Å; W63-I99 HydrophobicContact CE3-CG2 3.8Å; W63-I99 HydrophobicContact CZ3-CG2 4.14Å; W63-I99 PolarHBondContact N-O 2.92Å; W63-I99 PolarHBondContact O-N 3.49Å; L65-I99 HydrophobicContact CD1-CD1 4.16Å; I99-V117 HydrophobicContact CD1-CG1 3.47Å; I99-V117 VanDerWaalsContact CD1-CG1 3.47Å; I99-L126 HydrophobicContact CD1-CD1 4.47Å; I99-L126 HydrophobicContact CD1-CD2 4.19Å; I99-I128 HydrophobicContact CD1-CD1 4.14Å; I99-I139 HydrophobicContact CG2-CG2 3.77Å; I99-E140 CarbonylContact C-O 3.5Å; I99-E140 WeakPolarHBondContact CA-O 3.38Å; I99-M141 HydrophobicContact CG1-CB 4.48Å; I99-M141 HydrophobicContact CG1-CG 4.08Å |
| 100 | S | 95.5 | Very high | 81.9 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 13% | 0.133 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.7 | 175.4 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | R61 H102 I139 E140 | R61-S100 WeakPolarHBondContact O-CA 3.49Å; S100-H102 PolarHBondContact OG-NE2 3.03Å; S100-I139 CarbonylContact O-C 3.58Å; S100-I139 WeakPolarHBondContact O-CA 3.32Å; S100-E140 PolarHBondContact N-O 2.89Å; S100-E140 PolarHBondContact O-N 3.46Å |
| 101 | V | 93.9 | Very high | 80.5 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.9 | -178 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | P59 L60 R61 W63 L115 V137 | P59-V101 CarbonylContact C-O 3.45Å; P59-V101 WeakPolarHBondContact CA-O 3.42Å; P59-V101 WeakPolarHBondContact CB-O 3.32Å; L60-V101 PolarHBondContact N-O 2.84Å; R61-V101 HydrophobicContact CB-CB 4.28Å; R61-V101 HydrophobicContact CB-CG2 4.14Å; R61-V101 PolarHBondContact O-N 2.93Å; W63-V101 HydrophobicContact CH2-CG2 4.13Å; W63-V101 HydrophobicContact CZ3-CG2 3.52Å; V101-L115 HydrophobicContact CB-CD2 4.37Å; V101-L115 HydrophobicContact CG1-CD2 4.18Å; V101-L115 HydrophobicContact CG2-CD2 3.34Å; V101-V137 HydrophobicContact CG1-CG1 3.47Å; V101-V137 VanDerWaalsContact CG1-CG1 3.47Å |
| 102 | H | 90.9 | Very high | 79.1 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141.9 | 179.4 | -55.1 | -81.9 | 0 | 0 | 0 | 109.2 | S100 V137 T138 E140 | S100-H102 PolarHBondContact OG-NE2 3.03Å; H102-V137 CarbonylContact O-C 3.57Å; H102-V137 WeakPolarHBondContact O-CA 3.46Å; H102-V137 WeakPolarHBondContact O-CG1 3.36Å; H102-T138 PolarHBondContact N-O 2.93Å; H102-T138 PolarHBondContact O-N 2.8Å; H102-E140 IonicContact CD2-OE2 2.87Å; H102-E140 IonicContact CE1-OE2 3.31Å; H102-E140 IonicContact NE2-OE2 2.92Å; H102-E140 PolarHBondContact NE2-OE2 3.02Å |
| 103 | G | 85.6 | Confident | 78 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | trans | -164.5 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | P | 78.6 | Confident | 77.6 | Confident | 55 Ų | 55 | 61.3 Ų | 61.3 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | trans | -62.4 | 137.7 | 178.9 | 25.5 | -32.5 | 0 | 0 | 0 | 111.2 | S106 | P104-S106 PolarHBondContact O-N 3.01Š| ||
| 105 | D | 64.4 | Low | 77.5 | Confident | 108 Ų | 108 | 60.5 Ų | 60.5 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -61.9 | -14.6 | -177.3 | -75.1 | -36.3 | 0 | 0 | 0 | 114.2 | D107 | D105-D107 PolarHBondContact O-N 3.34Š|
| 106 | S | 55.9 | Low | 77.4 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -76.2 | -17.5 | -169.3 | 51.3 | 0 | 0 | 0 | 0 | 115.5 | P104 | P104-S106 PolarHBondContact O-N 3.01Š|
| 107 | D | 54.4 | Low | 77.4 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 43% | 0.428 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -136 | 53 | -171 | -64.7 | -50.1 | 0 | 0 | 0 | 112.1 | D105 G109 Y111 | D105-D107 PolarHBondContact O-N 3.34Å; D107-G109 PolarHBondContact O-N 3.01Å; D107-Y111 HydrophobicContact CB-CD2 4.15Å; D107-Y111 HydrophobicContact CB-CE2 3.5Å; D107-Y111 VanDerWaalsContact CB-CE2 3.5Å |
| 108 | Q | 54.3 | Low | 77.3 | Confident | 141 Ų | 141 | 66.3 Ų | 66.3 | 66% | 0.659 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -3.1 | 179.2 | -79 | -177.9 | 11.8 | 0 | 0 | 115.1 | L60 | L60-Q108 HydrophobicContact CD2-CG 4.09Š|
| 109 | G | 51.6 | Low | 77.3 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -27.6 | -164.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | D107 | D107-G109 PolarHBondContact O-N 3.01Š|
| 110 | D | 57.6 | Low | 77.3 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.7 | -27.6 | -159.6 | -145.3 | 16.3 | 0 | 0 | 0 | 115.2 | ||
| 111 | Y | 60.9 | Low | 77.1 | Confident | 83 Ų | 83 | 70.7 Ų | 70.7 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -16.7 | -174.6 | -53.7 | -61.5 | 0 | 0 | 0 | 114.9 | D107 | D107-Y111 HydrophobicContact CB-CD2 4.15Å; D107-Y111 HydrophobicContact CB-CE2 3.5Å; D107-Y111 VanDerWaalsContact CB-CE2 3.5Å |
| 112 | T | 61.6 | Low | 77.1 | Confident | 34 Ų | 34 | 79.5 Ų | 79.5 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -15 | -172.2 | 44.1 | 0 | 0 | 0 | 0 | 114.4 | R61 | R61-T112 PolarHBondContact NH1-O 3.42Š|
| 113 | E | 66.8 | Low | 77.3 | Confident | 160 Ų | 160 | 80.1 Ų | 80.1 | 75% | 0.748 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -32.5 | 176.8 | -64.2 | -140.7 | 150.3 | 0 | 0 | 112.2 | L115 | E113-L115 PolarHBondContact O-N 2.64Š|
| 114 | D | 81.3 | Confident | 77.8 | Confident | 54 Ų | 54 | 83 Ų | 83 | 29% | 0.289 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1 | 177.6 | -73.6 | -50.9 | 0 | 0 | 0 | 113.5 | K132 V133 | D114-K132 HydrophobicContact CB-CB 4.22Å; D114-K132 WeakPolarHBondContact OD1-CD 3Å; D114-K132 IonicContact OD1-NZ 2.93Å; D114-K132 PolarHBondContact OD1-NZ 2.89Å; D114-V133 HydrophobicContact CB-CG2 4.45Å |
| 115 | L | 90.2 | Very high | 78.7 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | trans | -99.2 | 112.4 | 177.1 | 178.4 | 62.4 | 0 | 0 | 0 | 111.1 | R61 W63 V101 E113 I128 S129 A130 I139 | R61-L115 PolarHBondContact NH1-O 3.32Å; W63-L115 HydrophobicContact CH2-CD2 3.46Å; W63-L115 VanDerWaalsContact CH2-CD2 3.46Å; W63-L115 HydrophobicContact CH2-CG 3.78Å; W63-L115 HydrophobicContact CZ3-CD2 3.88Å; W63-L115 HydrophobicContact CZ3-CG 4.48Å; V101-L115 HydrophobicContact CB-CD2 4.37Å; V101-L115 HydrophobicContact CG1-CD2 4.18Å; V101-L115 HydrophobicContact CG2-CD2 3.34Å; E113-L115 PolarHBondContact O-N 2.64Å; L115-I128 HydrophobicContact CD1-CG2 4.23Å; L115-S129 WeakPolarHBondContact CA-O 3.4Å; L115-A130 HydrophobicContact CD1-CB 3.56Å; L115-I139 HydrophobicContact CD1-CD1 3.84Å | ||
| 116 | H | 92.6 | Very high | 80.3 | Confident | 116 Ų | 116 | 77.6 Ų | 77.6 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.6 | 179 | -59.3 | -70.3 | 0 | 0 | 0 | 111.1 | I128 S129 | H116-I128 CarbonylContact O-C 3.6Å; H116-I128 WeakPolarHBondContact O-CA 3.32Å; H116-S129 PolarHBondContact N-O 2.95Å; H116-S129 PolarHBondContact O-N 2.67Å |
| 117 | V | 96 | Very high | 82.3 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 15% | 0.145 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.7 | 174.8 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | W63 L65 I99 L126 L127 I128 | W63-V117 HydrophobicContact CD2-CB 4.11Å; W63-V117 HydrophobicContact CD2-CG1 4.47Å; W63-V117 HydrophobicContact CD2-CG2 3.93Å; W63-V117 HydrophobicContact CE3-CG2 3.91Å; W63-V117 HydrophobicContact CG-CB 4.39Å; W63-V117 HydrophobicContact CG-CG1 4.38Å; W63-V117 HydrophobicContact CH2-CG2 3.81Å; W63-V117 HydrophobicContact CZ2-CB 4.27Å; W63-V117 HydrophobicContact CZ2-CG2 3.84Å; W63-V117 HydrophobicContact CZ3-CG2 3.84Å; L65-V117 HydrophobicContact CD1-CG1 3.77Å; I99-V117 HydrophobicContact CD1-CG1 3.47Å; I99-V117 VanDerWaalsContact CD1-CG1 3.47Å; V117-L126 HydrophobicContact CG1-CD1 3.88Å; V117-L127 WeakPolarHBondContact CA-O 3.41Å; V117-I128 HydrophobicContact CG2-CG2 4.34Å |
| 118 | H | 96.3 | Very high | 84.4 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 130.8 | -178.1 | 178.3 | -87.6 | 0 | 0 | 0 | 111 | L127 | H118-L127 PolarHBondContact N-O 2.8Å; H118-L127 PolarHBondContact O-N 3.22Å |
| 119 | Y | 97.7 | Very high | 86.3 | Confident | 51 Ų | 51 | 68 Ų | 68 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.7 | 172.8 | 178.3 | -112.5 | 0 | 0 | 0 | 110.4 | D66 V67 S68 E125 L126 | D66-Y119 VanDerWaalsContact O-CD1 3.29Å; D66-Y119 WeakPolarHBondContact O-CD1 3.35Å; D66-Y119 VanDerWaalsContact O-CE1 3.3Å; D66-Y119 WeakPolarHBondContact O-CE1 3.45Å; V67-Y119 HydrophobicContact CB-CD2 4.28Å; V67-Y119 HydrophobicContact CB-CE1 4.38Å; V67-Y119 HydrophobicContact CB-CE2 3.9Å; V67-Y119 HydrophobicContact CG1-CD1 4.18Å; V67-Y119 HydrophobicContact CG1-CD2 3.72Å; V67-Y119 HydrophobicContact CG1-CE1 4.33Å; V67-Y119 HydrophobicContact CG1-CE2 3.87Å; V67-Y119 HydrophobicContact CG1-CG 3.88Å; S68-Y119 PolarHBondContact N-OH 3.34Å; Y119-E125 WeakPolarHBondContact CA-O 3.35Å; Y119-E125 WeakPolarHBondContact CD2-O 3.38Å; Y119-L126 HydrophobicContact CD2-CB 4.03Å |
| 120 | D | 96.6 | Very high | 88.3 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 30% | 0.299 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.4 | 170 | 174.1 | 19.7 | 0 | 0 | 0 | 110.3 | Q122 S123 Q124 E125 | D120-Q122 VanDerWaalsContact C-N 3.29Å; D120-Q122 PolarHBondContact O-N 3.26Å; D120-Q122 PolarHBondContact OD1-N 2.94Å; D120-S123 WeakPolarHBondContact CB-OG 3.17Å; D120-S123 VanDerWaalsContact OD2-CB 3.29Å; D120-S123 WeakPolarHBondContact OD2-CB 3.46Å; D120-S123 PolarHBondContact OD2-N 2.9Å; D120-S123 PolarHBondContact OD2-OG 3.12Å; D120-Q124 VanDerWaalsContact O-CA 3.23Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.09Å; D120-E125 PolarHBondContact N-O 3.4Å; D120-E125 PolarHBondContact O-N 2.58Å |
| 121 | G | 92.9 | Very high | 89.7 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 122 | Q | 93.3 | Very high | 90.7 | Very high | 188 Ų | 188 | 66 Ų | 66 | 88% | 0.879 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -48 | 179.1 | -64.5 | -173.2 | 2.3 | 0 | 0 | 111.3 | D120 | D120-Q122 VanDerWaalsContact C-N 3.29Å; D120-Q122 PolarHBondContact O-N 3.26Å; D120-Q122 PolarHBondContact OD1-N 2.94Å |
| 123 | S | 94.8 | Very high | 91.7 | Very high | 57 Ų | 57 | 64.7 Ų | 64.7 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12.5 | 176.3 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | D120 E125 | D120-S123 WeakPolarHBondContact CB-OG 3.17Å; D120-S123 VanDerWaalsContact OD2-CB 3.29Å; D120-S123 WeakPolarHBondContact OD2-CB 3.46Å; D120-S123 PolarHBondContact OD2-N 2.9Å; D120-S123 PolarHBondContact OD2-OG 3.12Å; S123-E125 PolarHBondContact O-N 2.99Å; S123-E125 PolarHBondContact OG-N 3.15Å |
| 124 | Q | 96.7 | Very high | 92.4 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 38% | 0.383 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 29.8 | -172.1 | -51.6 | -174.7 | -0.7 | 0 | 0 | 112.8 | S68 T71 T72 D120 | S68-Q124 PolarHBondContact OG-OE1 3.1Å; T71-Q124 WeakPolarHBondContact CA-O 3.38Å; T71-Q124 WeakPolarHBondContact CB-O 3.5Å; T71-Q124 PolarHBondContact OG1-O 2.79Å; T72-Q124 PolarHBondContact N-O 3.3Å; D120-Q124 VanDerWaalsContact O-CA 3.23Å; D120-Q124 WeakPolarHBondContact O-CA 3.45Å; D120-Q124 PolarHBondContact O-N 3.09Å |
| 125 | E | 97.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.7 | -179.6 | -63.2 | -162.4 | 148.2 | 0 | 0 | 112 | T72 R74 Y119 D120 S123 | T72-E125 CarbonylContact O-C 3.51Å; T72-E125 VanDerWaalsContact O-CA 3.3Å; T72-E125 WeakPolarHBondContact O-CA 2.9Å; R74-E125 IonicContact CZ-OE1 3.52Å; R74-E125 VanDerWaalsContact CZ-OE1 3.3Å; R74-E125 VanDerWaalsContact NE-CD 3.28Å; R74-E125 IonicContact NE-OE1 2.66Å; R74-E125 PolarHBondContact NE-OE1 3.34Å; R74-E125 IonicContact NE-OE2 3.3Å; R74-E125 PolarHBondContact NE-OE2 3.37Å; R74-E125 IonicContact NH2-OE1 4Å; R74-E125 PolarHBondContact NH2-OE1 3.02Å; Y119-E125 WeakPolarHBondContact CA-O 3.35Å; Y119-E125 WeakPolarHBondContact CD2-O 3.38Å; D120-E125 PolarHBondContact N-O 3.4Å; D120-E125 PolarHBondContact O-N 2.58Å; S123-E125 PolarHBondContact O-N 2.99Å; S123-E125 PolarHBondContact OG-N 3.15Å |
| 126 | L | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.7 | 171.6 | 174.1 | 52.4 | 0 | 0 | 0 | 109.2 | L65 T72 V73 R74 A97 I99 V117 Y119 I128 M141 | L65-L126 HydrophobicContact CD1-CD1 3.56Å; L65-L126 HydrophobicContact CD1-CD2 4.36Å; T72-L126 PolarHBondContact O-N 2.89Å; V73-L126 CarbonylContact C-O 3.31Å; V73-L126 WeakPolarHBondContact CA-O 3.34Å; V73-L126 HydrophobicContact CG2-CB 4.1Å; V73-L126 HydrophobicContact CG2-CD2 4.13Å; V73-L126 HydrophobicContact CG2-CG 4.33Å; R74-L126 PolarHBondContact N-O 3.19Å; A97-L126 HydrophobicContact CB-CD2 3.86Å; I99-L126 HydrophobicContact CD1-CD1 4.47Å; I99-L126 HydrophobicContact CD1-CD2 4.19Å; V117-L126 HydrophobicContact CG1-CD1 3.88Å; Y119-L126 HydrophobicContact CD2-CB 4.03Å; L126-I128 HydrophobicContact CG-CG1 4.46Å; L126-M141 HydrophobicContact CD2-CE 3.41Å; L126-M141 VanDerWaalsContact CD2-CE 3.41Å; L126-M141 HydrophobicContact CG-CE 4.49Å |
| 127 | L | 98.1 | Very high | 92.1 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.7 | 179.2 | -56 | -179.7 | 0 | 0 | 0 | 110.1 | R74 V117 H118 | R74-L127 HydrophobicContact CB-CD2 3.75Å; R74-L127 HydrophobicContact CG-CD2 4.21Å; R74-L127 WeakPolarHBondContact O-CA 3.29Å; V117-L127 WeakPolarHBondContact CA-O 3.41Å; H118-L127 PolarHBondContact N-O 2.8Å; H118-L127 PolarHBondContact O-N 3.22Å |
| 128 | I | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 113.8 | 173.3 | -51.6 | 177.4 | 0 | 0 | 0 | 108.2 | V73 R74 A75 R76 L77 I99 L115 H116 V117 L126 I139 M141 | V73-I128 HydrophobicContact CG1-CD1 4.29Å; R74-I128 PolarHBondContact O-N 2.87Å; A75-I128 CarbonylContact C-O 3.1Å; A75-I128 VanDerWaalsContact CA-O 3.24Å; A75-I128 WeakPolarHBondContact CA-O 3.44Å; A75-I128 HydrophobicContact CB-CB 4.2Å; R76-I128 PolarHBondContact N-O 2.92Å; L77-I128 HydrophobicContact CD2-CB 4.41Å; L77-I128 HydrophobicContact CD2-CG2 3.73Å; I99-I128 HydrophobicContact CD1-CD1 4.14Å; L115-I128 HydrophobicContact CD1-CG2 4.23Å; H116-I128 CarbonylContact O-C 3.6Å; H116-I128 WeakPolarHBondContact O-CA 3.32Å; V117-I128 HydrophobicContact CG2-CG2 4.34Å; L126-I128 HydrophobicContact CG-CG1 4.46Å; I128-I139 HydrophobicContact CG2-CD1 4.05Å; I128-M141 HydrophobicContact CD1-SD 3.84Å |
| 129 | S | 95.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126 | -179 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | R76 L115 H116 | R76-S129 CarbonylContact O-C 3.52Å; R76-S129 WeakPolarHBondContact O-CA 3.39Å; L115-S129 WeakPolarHBondContact CA-O 3.4Å; H116-S129 PolarHBondContact N-O 2.95Å; H116-S129 PolarHBondContact O-N 2.67Å |
| 130 | A | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 40 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R76 L77 G78 L115 K132 V133 I139 | R76-A130 PolarHBondContact O-N 2.83Å; L77-A130 HydrophobicContact CB-CB 4.44Å; L77-A130 HydrophobicContact CD2-CB 3.58Å; G78-A130 PolarHBondContact N-O 3.38Å; L115-A130 HydrophobicContact CD1-CB 3.56Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 2.83Å; A130-V133 HydrophobicContact CB-CB 4.2Å; A130-V133 HydrophobicContact CB-CG2 3.86Å; A130-V133 WeakPolarHBondContact O-CB 3.48Å; A130-V133 PolarHBondContact O-N 2.82Å; A130-I139 HydrophobicContact CB-CD1 4.27Å |
| 131 | E | 86.3 | Confident | 92.1 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -33.3 | -167.8 | -68.3 | 173.7 | -149.4 | 0 | 0 | 113.4 | R76 | R76-E131 HydrophobicContact CB-CG 4.24Å; R76-E131 IonicContact CZ-OE1 3.12Å; R76-E131 IonicContact CZ-OE2 2.92Å; R76-E131 IonicContact NE-OE1 3.13Å; R76-E131 IonicContact NH1-OE1 2.72Å; R76-E131 PolarHBondContact NH1-OE1 2.87Å; R76-E131 IonicContact NH1-OE2 3.56Å; R76-E131 IonicContact NH2-OE1 2.72Å; R76-E131 PolarHBondContact NH2-OE1 3.35Å; R76-E131 IonicContact NH2-OE2 3.49Å; R76-E131 PolarHBondContact NH2-OE2 2.87Å |
| 132 | K | 83.6 | Confident | 92.4 | Very high | 154 Ų | 154 | 49.3 Ų | 49.3 | 67% | 0.67 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.2 | 179.1 | -59 | -178 | -157.4 | 149.9 | 0 | 113.9 | D114 A130 | D114-K132 HydrophobicContact CB-CB 4.22Å; D114-K132 WeakPolarHBondContact OD1-CD 3Å; D114-K132 IonicContact OD1-NZ 2.93Å; D114-K132 PolarHBondContact OD1-NZ 2.89Å; A130-K132 VanDerWaalsContact C-N 3.32Å; A130-K132 PolarHBondContact O-N 2.83Å |
| 133 | V | 83 | Confident | 92.6 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -79 | 131.3 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | G78 C79 D114 A130 V137 | G78-V133 CarbonylContact C-O 3.56Å; G78-V133 VanDerWaalsContact CA-O 3.23Å; G78-V133 WeakPolarHBondContact CA-O 3.47Å; G78-V133 VanDerWaalsContact O-O 3.13Å; C79-V133 HydrophobicContact CB-CB 4.17Å; C79-V133 HydrophobicContact CB-CG1 3.87Å; C79-V133 PolarHBondContact N-O 2.9Å; D114-V133 HydrophobicContact CB-CG2 4.45Å; A130-V133 HydrophobicContact CB-CB 4.2Å; A130-V133 HydrophobicContact CB-CG2 3.86Å; A130-V133 WeakPolarHBondContact O-CB 3.48Å; A130-V133 PolarHBondContact O-N 2.82Å; V133-V137 HydrophobicContact CG1-CB 3.6Å; V133-V137 HydrophobicContact CG1-CG1 3.91Å; V133-V137 HydrophobicContact CG1-CG2 3.61Å |
| 134 | N | 81.3 | Confident | 92.7 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 31% | 0.31 | 20% | 0.2 | S | C | . | . | trans | -75.3 | 168.4 | -177.3 | 70.4 | 41.1 | 0 | 0 | 0 | 113 | C79 S136 V137 | C79-N134 WeakPolarHBondContact CB-O 3.22Å; N134-S136 PolarHBondContact O-N 3.39Å; N134-S136 VanDerWaalsContact O-N 3.15Å; N134-S136 VanDerWaalsContact OD1-CB 3.32Å; N134-S136 WeakPolarHBondContact OD1-CB 3.33Å; N134-S136 PolarHBondContact OD1-N 3.41Å; N134-S136 PolarHBondContact OD1-OG 2.96Å; N134-V137 PolarHBondContact O-N 2.79Å | ||
| 135 | S | 79.4 | Confident | 92.7 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 42% | 0.42 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 2.3 | -178 | 58.3 | 0 | 0 | 0 | 0 | 115.7 | N80 V137 | N80-S135 PolarHBondContact ND2-O 2.86Å; S135-V137 VanDerWaalsContact C-N 3.33Å |
| 136 | S | 85.6 | Confident | 92.7 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -19.9 | 171.1 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | N134 | N134-S136 PolarHBondContact O-N 3.39Å; N134-S136 VanDerWaalsContact O-N 3.15Å; N134-S136 VanDerWaalsContact OD1-CB 3.32Å; N134-S136 WeakPolarHBondContact OD1-CB 3.33Å; N134-S136 PolarHBondContact OD1-N 3.41Å; N134-S136 PolarHBondContact OD1-OG 2.96Å |
| 137 | V | 91.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | trans | -86.4 | 143.3 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | C79 N80 V101 H102 V133 N134 S135 | C79-V137 HydrophobicContact CB-CB 4.12Å; C79-V137 WeakPolarHBondContact CB-O 3.35Å; N80-V137 PolarHBondContact N-O 2.86Å; N80-V137 PolarHBondContact ND2-O 2.95Å; V101-V137 HydrophobicContact CG1-CG1 3.47Å; V101-V137 VanDerWaalsContact CG1-CG1 3.47Å; H102-V137 CarbonylContact O-C 3.57Å; H102-V137 WeakPolarHBondContact O-CA 3.46Å; H102-V137 WeakPolarHBondContact O-CG1 3.36Å; V133-V137 HydrophobicContact CG1-CB 3.6Å; V133-V137 HydrophobicContact CG1-CG1 3.91Å; V133-V137 HydrophobicContact CG1-CG2 3.61Å; N134-V137 PolarHBondContact O-N 2.79Å; S135-V137 VanDerWaalsContact C-N 3.33Å | ||
| 138 | T | 95 | Very high | 92.7 | Very high | 42 Ų | 42 | 36 Ų | 36 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.7 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | N80 H102 E140 | N80-T138 HydrophobicContact CB-CG2 4.13Å; N80-T138 PolarHBondContact ND2-OG1 2.88Å; N80-T138 WeakPolarHBondContact O-CA 3.4Å; H102-T138 PolarHBondContact N-O 2.93Å; H102-T138 PolarHBondContact O-N 2.8Å; T138-E140 HydrophobicContact CG2-CG 4.43Å |
| 139 | I | 96.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.2 | 171 | -59.1 | 175.5 | 0 | 0 | 0 | 108 | L77 N80 I81 C82 I99 S100 L115 I128 A130 | L77-I139 HydrophobicContact CD1-CD1 4.31Å; L77-I139 HydrophobicContact CD2-CD1 3.81Å; N80-I139 PolarHBondContact O-N 3.45Å; I81-I139 CarbonylContact C-O 3.54Å; I81-I139 VanDerWaalsContact CA-O 3.25Å; I81-I139 WeakPolarHBondContact CA-O 3.43Å; I81-I139 HydrophobicContact CB-CB 4.44Å; I81-I139 HydrophobicContact CD1-CG2 4.45Å; I81-I139 HydrophobicContact CG1-CB 4.3Å; I81-I139 HydrophobicContact CG1-CG2 4.39Å; C82-I139 PolarHBondContact N-O 2.8Å; I99-I139 HydrophobicContact CG2-CG2 3.77Å; S100-I139 CarbonylContact O-C 3.58Å; S100-I139 WeakPolarHBondContact O-CA 3.32Å; L115-I139 HydrophobicContact CD1-CD1 3.84Å; I128-I139 HydrophobicContact CG2-CD1 4.05Å; A130-I139 HydrophobicContact CB-CD1 4.27Å |
| 140 | E | 97.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 36.4 Ų | 36.4 | 29% | 0.294 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.2 | 168.8 | -67.5 | -173.1 | 150.2 | 0 | 0 | 109.5 | C82 I99 S100 H102 T138 | C82-E140 HydrophobicContact CB-CG 4.49Å; C82-E140 WeakPolarHBondContact O-CA 3.41Å; I99-E140 CarbonylContact C-O 3.5Å; I99-E140 WeakPolarHBondContact CA-O 3.38Å; S100-E140 PolarHBondContact N-O 2.89Å; S100-E140 PolarHBondContact O-N 3.46Å; H102-E140 IonicContact CD2-OE2 2.87Å; H102-E140 IonicContact CE1-OE2 3.31Å; H102-E140 IonicContact NE2-OE2 2.92Å; H102-E140 PolarHBondContact NE2-OE2 3.02Å; T138-E140 HydrophobicContact CG2-CG 4.43Å |
| 141 | M | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 121.4 | -177.4 | 179.7 | 178.5 | -177.2 | 0 | 0 | 111.1 | V73 C82 V83 R84 A97 L98 I99 L126 I128 A143 | V73-M141 HydrophobicContact CB-CE 4.43Å; V73-M141 HydrophobicContact CG1-CE 4.28Å; V73-M141 HydrophobicContact CG1-SD 4.1Å; V73-M141 HydrophobicContact CG2-CE 3.32Å; V73-M141 HydrophobicContact CG2-SD 4.15Å; C82-M141 PolarHBondContact O-N 3.03Å; V83-M141 WeakPolarHBondContact CA-O 3.49Å; V83-M141 HydrophobicContact CG1-SD 4.48Å; V83-M141 HydrophobicContact CG2-CB 4.39Å; V83-M141 HydrophobicContact CG2-SD 4.49Å; R84-M141 PolarHBondContact N-O 2.77Å; A97-M141 HydrophobicContact CB-CE 4.24Å; L98-M141 CarbonylContact O-C 3.48Å; L98-M141 WeakPolarHBondContact O-CA 3.25Å; I99-M141 HydrophobicContact CG1-CB 4.48Å; I99-M141 HydrophobicContact CG1-CG 4.08Å; L126-M141 HydrophobicContact CD2-CE 3.41Å; L126-M141 VanDerWaalsContact CD2-CE 3.41Å; L126-M141 HydrophobicContact CG-CE 4.49Å; I128-M141 HydrophobicContact CD1-SD 3.84Å; M141-A143 HydrophobicContact CE-CB 3.65Å; M141-A143 HydrophobicContact CG-CB 4.28Å; M141-A143 HydrophobicContact SD-CB 4.47Å |
| 142 | D | 98.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.2 | 167.2 | -65.5 | -17.2 | 0 | 0 | 0 | 108.4 | R84 L86 A97 L98 | R84-D142 WeakPolarHBondContact CD-OD1 3.48Å; R84-D142 WeakPolarHBondContact CG-OD1 3.35Å; R84-D142 IonicContact CZ-OD1 3.52Å; R84-D142 IonicContact CZ-OD2 3.97Å; R84-D142 IonicContact NE-OD1 3.11Å; R84-D142 PolarHBondContact NE-OD1 2.86Å; R84-D142 IonicContact NH1-OD1 2.74Å; R84-D142 PolarHBondContact NH1-OD1 2.88Å; R84-D142 IonicContact NH1-OD2 3.16Å; R84-D142 PolarHBondContact NH1-OD2 3.11Å; R84-D142 VanDerWaalsContact NH1-OD2 3.11Å; R84-D142 IonicContact NH2-OD1 2.7Å; R84-D142 PolarHBondContact NH2-OD1 2.71Å; R84-D142 VanDerWaalsContact NH2-OD1 3.1Å; R84-D142 IonicContact NH2-OD2 3.4Å; R84-D142 PolarHBondContact NH2-OD2 2.79Å; R84-D142 WeakPolarHBondContact O-CA 3.25Å; L86-D142 HydrophobicContact CD1-CB 3.89Å; A97-D142 CarbonylContact C-O 3.55Å; A97-D142 WeakPolarHBondContact CA-O 3.47Å; L98-D142 HydrophobicContact CB-CB 4.13Å; L98-D142 HydrophobicContact CG-CB 4.49Å; L98-D142 PolarHBondContact N-O 2.96Å; L98-D142 PolarHBondContact O-N 2.79Å |
| 143 | A | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 155.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V83 R84 P85 L86 M141 I145 T147 M164 | V83-A143 HydrophobicContact CG1-CB 4.34Å; R84-A143 PolarHBondContact O-N 3.36Å; P85-A143 CarbonylContact C-O 3.55Å; P85-A143 WeakPolarHBondContact CA-O 3.12Å; L86-A143 WeakPolarHBondContact CB-O 3.28Å; L86-A143 PolarHBondContact N-O 3Å; M141-A143 HydrophobicContact CE-CB 3.65Å; M141-A143 HydrophobicContact CG-CB 4.28Å; M141-A143 HydrophobicContact SD-CB 4.47Å; A143-I145 PolarHBondContact O-N 2.86Å; A143-T147 HydrophobicContact CB-CG2 4.38Å; A143-M164 HydrophobicContact CB-CE 4.21Å |
| 144 | P | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -51.1 | 135.4 | 169.6 | -26 | 36.1 | 0 | 0 | 0 | 110.9 | V67 P69 T71 A94 R96 K146 T147 M164 | V67-P144 HydrophobicContact CG2-CG 3.72Å; P69-P144 WeakPolarHBondContact O-CB 3.4Å; T71-P144 HydrophobicContact CG2-CG 4.29Å; A94-P144 HydrophobicContact CB-CB 4.36Å; A94-P144 VanDerWaalsContact O-CB 3.28Å; A94-P144 WeakPolarHBondContact O-CB 3.3Å; A94-P144 WeakPolarHBondContact O-CG 3.29Å; R96-P144 VanDerWaalsContact O-CD 3.32Å; R96-P144 WeakPolarHBondContact O-CD 3.36Å; P144-K146 PolarHBondContact O-N 2.87Å; P144-T147 WeakPolarHBondContact CD-OG1 3.3Å; P144-T147 WeakPolarHBondContact O-CB 3.2Å; P144-T147 PolarHBondContact O-N 3.25Å; P144-T147 PolarHBondContact O-OG1 3.38Å; P144-M164 WeakPolarHBondContact O-CE 3.32Å | ||
| 145 | I | 96.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 29 Ų | 29 | 31% | 0.308 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.1 | -170.4 | -168.3 | 171.7 | 0 | 0 | 0 | 113.6 | P85 A143 T147 E165 | P85-I145 HydrophobicContact CB-CB 4.16Å; P85-I145 HydrophobicContact CB-CD1 4.47Å; P85-I145 HydrophobicContact CB-CG1 4.1Å; A143-I145 PolarHBondContact O-N 2.86Å; I145-T147 VanDerWaalsContact C-N 3.27Å; I145-T147 PolarHBondContact O-N 3.49Å; I145-E165 HydrophobicContact CD1-CB 4.31Å; I145-E165 HydrophobicContact CG1-CB 4.01Å; I145-E165 CarbonylContact O-C 3.58Å; I145-E165 VanDerWaalsContact O-C 3.31Å; I145-E165 PolarHBondContact O-N 3.38Å |
| 146 | K | 96.7 | Very high | 96.2 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 33% | 0.326 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12.6 | 179.5 | -68.5 | -78.4 | 160.7 | -172.2 | 0 | 114.6 | F70 P144 N148 E165 | F70-K146 HydrophobicContact CD1-CB 3.83Å; F70-K146 HydrophobicContact CD1-CG 4.34Å; F70-K146 HydrophobicContact CE1-CB 4.09Å; F70-K146 HydrophobicContact CE1-CG 4.1Å; P144-K146 PolarHBondContact O-N 2.87Å; K146-N148 PolarHBondContact O-N 2.59Å; K146-E165 VanDerWaalsContact CA-O 3.29Å; K146-E165 WeakPolarHBondContact CA-O 3.06Å; K146-E165 WeakPolarHBondContact CD-O 3.25Å; K146-E165 WeakPolarHBondContact CE-OE1 3.4Å; K146-E165 IonicContact NZ-OE1 3.61Å; K146-E165 PolarHBondContact NZ-OE1 2.8Å |
| 147 | T | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -71.1 | 125.7 | -177.9 | -64 | 0 | 0 | 0 | 0 | 112.2 | T71 V73 A143 P144 I145 L149 S166 | T71-T147 HydrophobicContact CG2-CG2 3.9Å; T71-T147 WeakPolarHBondContact CG2-OG1 3.34Å; T71-T147 VanDerWaalsContact O-CA 3.25Å; T71-T147 WeakPolarHBondContact O-CA 3.48Å; V73-T147 HydrophobicContact CB-CG2 4.08Å; V73-T147 HydrophobicContact CG2-CG2 3.39Å; A143-T147 HydrophobicContact CB-CG2 4.38Å; P144-T147 WeakPolarHBondContact CD-OG1 3.3Å; P144-T147 WeakPolarHBondContact O-CB 3.2Å; P144-T147 PolarHBondContact O-N 3.25Å; P144-T147 PolarHBondContact O-OG1 3.38Å; I145-T147 VanDerWaalsContact C-N 3.27Å; I145-T147 PolarHBondContact O-N 3.49Å; T147-L149 HydrophobicContact CG2-CD2 3.85Å; T147-S166 WeakPolarHBondContact O-CB 3.41Å | ||
| 148 | N | 98.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.144 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.1 | 169.6 | -71.8 | -35.4 | 0 | 0 | 0 | 110.5 | T71 T72 V73 K146 F150 D167 V168 | T71-N148 PolarHBondContact O-N 3.36Å; T72-N148 HydrophobicContact CG2-CB 4.22Å; V73-N148 PolarHBondContact N-O 2.95Å; K146-N148 PolarHBondContact O-N 2.59Å; N148-F150 HydrophobicContact CB-CE2 4.24Å; N148-D167 PolarHBondContact OD1-N 2.89Å; N148-V168 WeakPolarHBondContact CA-O 3.31Å; N148-V168 PolarHBondContact OD1-N 2.8Å |
| 149 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.4 | -173.5 | -58 | 175.9 | 0 | 0 | 0 | 111.4 | V73 V83 T147 I151 V161 M164 V168 K170 | V73-L149 HydrophobicContact CB-CD2 4.04Å; V73-L149 HydrophobicContact CG2-CD2 4.45Å; V83-L149 HydrophobicContact CG1-CD1 4.3Å; V83-L149 HydrophobicContact CG1-CD2 4.03Å; T147-L149 HydrophobicContact CG2-CD2 3.85Å; L149-I151 HydrophobicContact CB-CD1 4.48Å; L149-V161 HydrophobicContact CD1-CB 4.49Å; L149-V161 HydrophobicContact CD1-CG1 3.49Å; L149-V161 VanDerWaalsContact CD1-CG1 3.49Å; L149-V161 HydrophobicContact CD1-CG2 4.13Å; L149-M164 HydrophobicContact CD1-CB 4.46Å; L149-M164 HydrophobicContact CD1-CG 4.16Å; L149-V168 PolarHBondContact N-O 3.32Å; L149-K170 PolarHBondContact O-N 2.81Å |
| 150 | F | 98.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 95.8 | 169.7 | -60.9 | -92.5 | 0 | 0 | 0 | 108.2 | T72 V73 R74 A75 N148 V168 K170 | T72-F150 HydrophobicContact CG2-CD2 3.56Å; T72-F150 HydrophobicContact CG2-CE2 3.52Å; V73-F150 PolarHBondContact O-N 2.91Å; R74-F150 CarbonylContact C-O 3.6Å; R74-F150 VanDerWaalsContact CA-O 3.3Å; R74-F150 WeakPolarHBondContact CA-O 3.48Å; R74-F150 HydrophobicContact CG-CB 4.27Å; R74-F150 HydrophobicContact CG-CD2 4.47Å; A75-F150 PolarHBondContact N-O 3.34Å; N148-F150 HydrophobicContact CB-CE2 4.24Å; F150-V168 HydrophobicContact CE1-CG1 3.89Å; F150-V168 HydrophobicContact CE2-CG1 4.45Å; F150-V168 HydrophobicContact CZ-CB 4.29Å; F150-V168 HydrophobicContact CZ-CG1 3.72Å; F150-K170 WeakPolarHBondContact CA-O 3.31Å; F150-K170 HydrophobicContact CD1-CB 4.06Å; F150-K170 HydrophobicContact CD1-CD 4.01Å; F150-K170 HydrophobicContact CD1-CG 4.08Å; F150-K170 HydrophobicContact CE1-CD 3.83Å; F150-K170 HydrophobicContact CE1-CG 4.06Å |
| 151 | I | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.6 | -174.2 | -57.5 | 170.1 | 0 | 0 | 0 | 108.6 | A75 I81 V83 L149 T153 V159 V161 K170 V171 Q172 | A75-I151 HydrophobicContact CB-CG1 4.28Å; A75-I151 HydrophobicContact CB-CG2 4.31Å; I81-I151 HydrophobicContact CG2-CG2 3.78Å; V83-I151 HydrophobicContact CG2-CD1 3.91Å; L149-I151 HydrophobicContact CB-CD1 4.48Å; I151-T153 HydrophobicContact CG2-CG2 4.33Å; I151-V159 HydrophobicContact CD1-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG2 3.75Å; I151-V161 HydrophobicContact CD1-CG2 4.09Å; I151-K170 PolarHBondContact N-O 2.88Å; I151-V171 CarbonylContact O-C 3.58Å; I151-V171 VanDerWaalsContact O-CA 3.31Å; I151-V171 WeakPolarHBondContact O-CA 3.36Å; I151-Q172 PolarHBondContact O-N 2.88Å |
| 152 | T | 98.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 23% | 0.233 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.3 | 172.8 | -61.5 | 0 | 0 | 0 | 0 | 108.6 | A75 R76 L77 Q172 | A75-T152 PolarHBondContact O-N 2.73Å; R76-T152 WeakPolarHBondContact CA-O 3.33Å; L77-T152 PolarHBondContact N-O 3.31Å; T152-Q172 CarbonylContact C-O 2.96Å; T152-Q172 WeakPolarHBondContact CA-O 3.23Å; T152-Q172 HydrophobicContact CG2-CB 4.25Å |
| 153 | T | 97 | Very high | 97.3 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 136 | 171.4 | 65.1 | 0 | 0 | 0 | 0 | 112 | L77 I151 G157 V159 Q172 T173 E174 | L77-T153 HydrophobicContact CB-CG2 4.32Å; L77-T153 CarbonylContact O-C 3.59Å; L77-T153 WeakPolarHBondContact O-CA 3.23Å; I151-T153 HydrophobicContact CG2-CG2 4.33Å; T153-G157 VanDerWaalsContact CB-O 3.31Å; T153-G157 WeakPolarHBondContact CB-O 3.38Å; T153-G157 PolarHBondContact OG1-O 2.88Å; T153-V159 HydrophobicContact CG2-CG2 3.4Å; T153-V159 VanDerWaalsContact CG2-CG2 3.4Å; T153-Q172 PolarHBondContact N-O 3.41Å; T153-T173 WeakPolarHBondContact OG1-CG2 3.37Å; T153-E174 PolarHBondContact O-N 3.17Å; T153-E174 VanDerWaalsContact O-N 3.08Å |
| 154 | E | 93.9 | Very high | 97.3 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | trans | -103.3 | 155.9 | 174.1 | -63.8 | 178.5 | -164.5 | 0 | 0 | 109.4 | R76 L77 G156 | R76-E154 IonicContact CZ-OE1 2.77Å; R76-E154 IonicContact NH2-OE1 2.78Å; R76-E154 PolarHBondContact NH2-OE1 2.86Å; L77-E154 PolarHBondContact O-N 3.33Å; E154-G156 PolarHBondContact O-N 2.82Å | ||
| 155 | G | 92.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 29% | 0.289 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -131.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | E174 K175 G176 | G155-E174 PolarHBondContact N-OE2 3.06Å; G155-K175 WeakPolarHBondContact O-CA 3.29Å; G155-K175 VanDerWaalsContact O-CB 3.28Å; G155-K175 WeakPolarHBondContact O-CB 3.42Å; G155-K175 PolarHBondContact O-N 2.79Å; G155-G176 PolarHBondContact O-N 2.84Å |
| 156 | G | 93.2 | Very high | 97.3 | Very high | 33 Ų | 33 | 34.6 Ų | 34.6 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E154 N158 | E154-G156 PolarHBondContact O-N 2.82Å; G156-N158 PolarHBondContact O-N 2.86Å |
| 157 | G | 95.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -66.4 | 119.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C79 T153 G176 | C79-G157 VanDerWaalsContact O-CA 3.29Å; C79-G157 WeakPolarHBondContact O-CA 3.35Å; T153-G157 VanDerWaalsContact CB-O 3.31Å; T153-G157 WeakPolarHBondContact CB-O 3.38Å; T153-G157 PolarHBondContact OG1-O 2.88Å; G157-G176 WeakPolarHBondContact O-CA 3.36Å | ||
| 158 | N | 97.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 32% | 0.316 | 20% | 0.2 | S | C | . | . | trans | -85.4 | 147.7 | 178.7 | -58.4 | -70.6 | 0 | 0 | 0 | 111.9 | N80 I81 G156 S177 | N80-N158 CarbonylContact C-O 3.59Å; N80-N158 VanDerWaalsContact CA-O 3.22Å; N80-N158 WeakPolarHBondContact CA-O 3.45Å; N80-N158 WeakPolarHBondContact OD1-CB 3.29Å; N80-N158 PolarHBondContact OD1-N 2.73Å; N80-N158 PolarHBondContact OD1-ND2 2.96Å; I81-N158 PolarHBondContact N-O 2.87Å; G156-N158 PolarHBondContact O-N 2.86Å; N158-S177 CarbonylContact C-O 3.58Å; N158-S177 VanDerWaalsContact CA-O 3.3Å; N158-S177 WeakPolarHBondContact CA-O 3.3Å; N158-S177 PolarHBondContact OD1-N 2.86Å | ||
| 159 | V | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.1 | 177.4 | -179.2 | 0 | 0 | 0 | 0 | 110 | I81 I151 T153 V161 V171 T173 S177 C178 L179 | I81-V159 HydrophobicContact CG2-CB 4.38Å; I81-V159 HydrophobicContact CG2-CG1 4.18Å; I81-V159 HydrophobicContact CG2-CG2 4.02Å; I81-V159 CarbonylContact O-C 3.34Å; I151-V159 HydrophobicContact CD1-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG1 4.02Å; I151-V159 HydrophobicContact CG2-CG2 3.75Å; T153-V159 HydrophobicContact CG2-CG2 3.4Å; T153-V159 VanDerWaalsContact CG2-CG2 3.4Å; V159-V161 HydrophobicContact CG1-CG2 4.12Å; V159-V171 HydrophobicContact CB-CG1 3.84Å; V159-V171 HydrophobicContact CG1-CG1 3.71Å; V159-V171 HydrophobicContact CG1-CG2 4.08Å; V159-V171 HydrophobicContact CG2-CG1 3.86Å; V159-T173 HydrophobicContact CG2-CG2 3.96Å; V159-S177 PolarHBondContact N-O 2.9Å; V159-C178 CarbonylContact O-C 3.31Å; V159-C178 WeakPolarHBondContact O-CA 3.2Å; V159-L179 PolarHBondContact O-N 2.84Å |
| 160 | Q | 98.7 | Very high | 97.4 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 32% | 0.318 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.8 | 169.5 | -51 | -172.9 | 22.1 | 0 | 0 | 109.9 | I81 C82 V83 L179 | I81-Q160 PolarHBondContact O-N 3.45Å; C82-Q160 CarbonylContact C-O 3.48Å; C82-Q160 WeakPolarHBondContact CA-O 3.3Å; C82-Q160 HydrophobicContact CB-CB 4.17Å; V83-Q160 PolarHBondContact N-O 3.23Å; Q160-L179 CarbonylContact C-O 3.53Å; Q160-L179 WeakPolarHBondContact CA-O 3.13Å; Q160-L179 HydrophobicContact CB-CB 4.45Å; Q160-L179 HydrophobicContact CB-CD2 4.48Å; Q160-L179 HydrophobicContact CG-CB 4.15Å; Q160-L179 HydrophobicContact CG-CD2 4.18Å |
| 161 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.7 | 172.3 | -175.5 | 0 | 0 | 0 | 0 | 108.4 | L149 I151 V159 M164 V171 L179 L180 H181 V183 | L149-V161 HydrophobicContact CD1-CB 4.49Å; L149-V161 HydrophobicContact CD1-CG1 3.49Å; L149-V161 VanDerWaalsContact CD1-CG1 3.49Å; L149-V161 HydrophobicContact CD1-CG2 4.13Å; I151-V161 HydrophobicContact CD1-CG2 4.09Å; V159-V161 HydrophobicContact CG1-CG2 4.12Å; V161-M164 HydrophobicContact CG1-CB 4.04Å; V161-M164 HydrophobicContact CG1-CG 3.69Å; V161-V171 HydrophobicContact CG2-CG2 4.39Å; V161-L179 PolarHBondContact N-O 3.28Å; V161-L180 HydrophobicContact CB-CD2 3.79Å; V161-L180 HydrophobicContact CG2-CD2 4.03Å; V161-H181 PolarHBondContact O-N 2.92Å; V161-V183 HydrophobicContact CB-CG2 4.16Å; V161-V183 HydrophobicContact CG1-CG2 3.82Å |
| 162 | K | 98.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.2 | -171.9 | -59.7 | 177 | -178.9 | 160.2 | 0 | 110.3 | V83 R84 P85 M164 H181 | V83-K162 PolarHBondContact O-N 3.49Å; R84-K162 HydrophobicContact CB-CB 4.34Å; P85-K162 WeakPolarHBondContact CD-O 3.46Å; K162-M164 PolarHBondContact O-N 3.18Å; K162-H181 CarbonylContact C-O 3.49Å; K162-H181 WeakPolarHBondContact CA-O 3.23Å; K162-H181 HydrophobicContact CB-CB 4.46Å; K162-H181 HydrophobicContact CG-CB 4.1Å |
| 163 | K | 98.1 | Very high | 97.4 | Very high | 134 Ų | 134 | 38.5 Ų | 38.5 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 54.9 | 23.1 | 168.2 | -55.9 | 179.5 | -179 | 177.1 | 0 | 115.7 | P85 H181 S182 | P85-K163 HydrophobicContact CG-CB 4.02Å; K163-H181 PolarHBondContact N-O 2.9Å; K163-S182 WeakPolarHBondContact CA-O 3.49Å |
| 164 | M | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -77.9 | 148.2 | 176.2 | -63.2 | -57.7 | -66.2 | 0 | 0 | 111.1 | V83 P85 A143 P144 L149 V161 K162 K184 | V83-M164 HydrophobicContact CG1-CG 4.44Å; V83-M164 HydrophobicContact CG1-SD 4.33Å; P85-M164 HydrophobicContact CB-SD 4.09Å; A143-M164 HydrophobicContact CB-CE 4.21Å; P144-M164 WeakPolarHBondContact O-CE 3.32Å; L149-M164 HydrophobicContact CD1-CB 4.46Å; L149-M164 HydrophobicContact CD1-CG 4.16Å; V161-M164 HydrophobicContact CG1-CB 4.04Å; V161-M164 HydrophobicContact CG1-CG 3.69Å; K162-M164 PolarHBondContact O-N 3.18Å; M164-K184 PolarHBondContact O-N 2.94Å | ||
| 165 | E | 97.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 92.4 | 177 | -173.3 | 177.7 | 129.3 | 0 | 0 | 111 | I145 K146 K184 | I145-E165 HydrophobicContact CD1-CB 4.31Å; I145-E165 HydrophobicContact CG1-CB 4.01Å; I145-E165 CarbonylContact O-C 3.58Å; I145-E165 VanDerWaalsContact O-C 3.31Å; I145-E165 PolarHBondContact O-N 3.38Å; K146-E165 VanDerWaalsContact CA-O 3.29Å; K146-E165 WeakPolarHBondContact CA-O 3.06Å; K146-E165 WeakPolarHBondContact CD-O 3.25Å; K146-E165 WeakPolarHBondContact CE-OE1 3.4Å; K146-E165 IonicContact NZ-OE1 3.61Å; K146-E165 PolarHBondContact NZ-OE1 2.8Å; E165-K184 CarbonylContact C-O 3.56Å; E165-K184 WeakPolarHBondContact CA-O 3.44Å; E165-K184 HydrophobicContact CB-CB 4.37Å; E165-K184 HydrophobicContact CG-CB 4Å; E165-K184 HydrophobicContact CG-CD 4.33Å; E165-K184 IonicContact OE2-NZ 3Å |
| 166 | S | 96.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -177.3 | -171.6 | 67.1 | 0 | 0 | 0 | 0 | 113 | T147 V168 K184 A185 H186 | T147-S166 WeakPolarHBondContact O-CB 3.41Å; S166-V168 PolarHBondContact OG-O 2.92Å; S166-K184 PolarHBondContact N-O 3.18Å; S166-A185 WeakPolarHBondContact O-CA 3.43Å; S166-H186 PolarHBondContact O-N 2.84Å |
| 167 | D | 98.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 57% | 0.572 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -40 | 166.3 | -67.8 | -32.3 | 0 | 0 | 0 | 110 | N148 H186 Q187 | N148-D167 PolarHBondContact OD1-N 2.89Å; D167-H186 WeakPolarHBondContact O-CA 3.45Å; D167-H186 WeakPolarHBondContact O-CB 3.34Å; D167-H186 PolarHBondContact O-N 2.86Å; D167-Q187 PolarHBondContact O-N 2.87Å |
| 168 | V | 98.5 | Very high | 97.9 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.6 | -175.2 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | N148 L149 F150 S166 K170 Q187 | N148-V168 WeakPolarHBondContact CA-O 3.31Å; N148-V168 PolarHBondContact OD1-N 2.8Å; L149-V168 PolarHBondContact N-O 3.32Å; F150-V168 HydrophobicContact CE1-CG1 3.89Å; F150-V168 HydrophobicContact CE2-CG1 4.45Å; F150-V168 HydrophobicContact CZ-CB 4.29Å; F150-V168 HydrophobicContact CZ-CG1 3.72Å; S166-V168 PolarHBondContact OG-O 2.92Å; V168-K170 HydrophobicContact CG1-CD 4.18Å; V168-K170 HydrophobicContact CG1-CG 3.57Å; V168-Q187 WeakPolarHBondContact CA-O 3.42Å |
| 169 | C | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 103.6 | 168.2 | 177.6 | 0 | 0 | 0 | 0 | 109 | V183 A185 Q187 V188 E189 | C169-V183 HydrophobicContact CB-CG1 4.34Å; C169-A185 HydrophobicContact CB-CB 4.24Å; C169-Q187 PolarHBondContact N-O 2.91Å; C169-V188 CarbonylContact O-C 3.56Å; C169-V188 WeakPolarHBondContact O-CA 3.39Å; C169-E189 PolarHBondContact O-N 3Å |
| 170 | K | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.3 | 177.2 | -55 | -158.5 | 179.8 | -152.5 | 0 | 110.8 | L149 F150 I151 V168 E189 | L149-K170 PolarHBondContact O-N 2.81Å; F150-K170 WeakPolarHBondContact CA-O 3.31Å; F150-K170 HydrophobicContact CD1-CB 4.06Å; F150-K170 HydrophobicContact CD1-CD 4.01Å; F150-K170 HydrophobicContact CD1-CG 4.08Å; F150-K170 HydrophobicContact CE1-CD 3.83Å; F150-K170 HydrophobicContact CE1-CG 4.06Å; I151-K170 PolarHBondContact N-O 2.88Å; V168-K170 HydrophobicContact CG1-CD 4.18Å; V168-K170 HydrophobicContact CG1-CG 3.57Å; K170-E189 CarbonylContact C-O 3.56Å; K170-E189 VanDerWaalsContact CA-O 3.3Å; K170-E189 WeakPolarHBondContact CA-O 3.39Å; K170-E189 HydrophobicContact CB-CB 4.45Å; K170-E189 HydrophobicContact CD-CB 4.34Å; K170-E189 WeakPolarHBondContact CD-OE2 3.32Å; K170-E189 WeakPolarHBondContact CE-OE2 3.4Å; K170-E189 HydrophobicContact CG-CB 4.04Å; K170-E189 IonicContact NZ-OE2 3.86Å; K170-E189 PolarHBondContact NZ-OE2 2.99Å |
| 171 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.3 | 177 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | I151 V159 V161 T173 C178 L180 E189 V190 R191 | I151-V171 CarbonylContact O-C 3.58Å; I151-V171 VanDerWaalsContact O-CA 3.31Å; I151-V171 WeakPolarHBondContact O-CA 3.36Å; V159-V171 HydrophobicContact CB-CG1 3.84Å; V159-V171 HydrophobicContact CG1-CG1 3.71Å; V159-V171 HydrophobicContact CG1-CG2 4.08Å; V159-V171 HydrophobicContact CG2-CG1 3.86Å; V161-V171 HydrophobicContact CG2-CG2 4.39Å; V171-T173 HydrophobicContact CG1-CG2 4.06Å; V171-C178 HydrophobicContact CG1-CB 4.36Å; V171-L180 HydrophobicContact CG2-CD2 4.48Å; V171-E189 PolarHBondContact N-O 3.48Å; V171-V190 HydrophobicContact CB-CG2 4.5Å; V171-V190 CarbonylContact O-C 3.52Å; V171-V190 WeakPolarHBondContact O-CA 3.28Å; V171-R191 PolarHBondContact O-N 3.32Å |
| 172 | Q | 98.6 | Very high | 98 | Very high | 81 Ų | 81 | 45.3 Ų | 45.3 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.2 | 173.1 | -60.8 | -173.4 | -11.9 | 0 | 0 | 109.2 | I151 T152 T153 R191 | I151-Q172 PolarHBondContact O-N 2.88Å; T152-Q172 CarbonylContact C-O 2.96Å; T152-Q172 WeakPolarHBondContact CA-O 3.23Å; T152-Q172 HydrophobicContact CG2-CB 4.25Å; T153-Q172 PolarHBondContact N-O 3.41Å; Q172-R191 CarbonylContact C-O 3.57Å; Q172-R191 VanDerWaalsContact CA-O 3.25Å; Q172-R191 WeakPolarHBondContact CA-O 3.24Å; Q172-R191 HydrophobicContact CG-CB 4.29Å |
| 173 | T | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.6 | -179.1 | 54.3 | 0 | 0 | 0 | 0 | 110 | T153 V159 V171 G176 C178 R191 S192 Q193 | T153-T173 WeakPolarHBondContact OG1-CG2 3.37Å; V159-T173 HydrophobicContact CG2-CG2 3.96Å; V171-T173 HydrophobicContact CG1-CG2 4.06Å; T173-G176 WeakPolarHBondContact CB-O 3.42Å; T173-G176 PolarHBondContact OG1-O 3Å; T173-C178 HydrophobicContact CG2-CB 4.3Å; T173-R191 PolarHBondContact N-O 2.85Å; T173-S192 WeakPolarHBondContact O-CA 3.28Å; T173-S192 WeakPolarHBondContact OG1-CA 3.39Å; T173-S192 VanDerWaalsContact OG1-CB 3.29Å; T173-S192 WeakPolarHBondContact OG1-CB 3.46Å; T173-S192 PolarHBondContact OG1-OG 2.78Å; T173-Q193 PolarHBondContact O-N 3.41Å |
| 174 | E | 96.8 | Very high | 98 | Very high | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -82.1 | -63 | 174.2 | -166.5 | -162.8 | 153.6 | 0 | 0 | 111.8 | T153 G155 Q193 G194 | T153-E174 PolarHBondContact O-N 3.17Å; T153-E174 VanDerWaalsContact O-N 3.08Å; G155-E174 PolarHBondContact N-OE2 3.06Å; E174-Q193 CarbonylContact O-C 3.59Å; E174-Q193 VanDerWaalsContact O-C 3.23Å; E174-Q193 WeakPolarHBondContact O-CB 3.3Å; E174-G194 VanDerWaalsContact O-CA 3.28Å; E174-G194 WeakPolarHBondContact O-CA 3.4Å; E174-G194 PolarHBondContact O-N 2.9Å |
| 175 | K | 95.6 | Very high | 98 | Very high | 139 Ų | 139 | 41.3 Ų | 41.3 | 60% | 0.604 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -127.3 | -12.9 | 177.9 | -53 | 178.3 | -176.5 | 171.5 | 0 | 113.3 | G155 G194 G195 | G155-K175 WeakPolarHBondContact O-CA 3.29Å; G155-K175 VanDerWaalsContact O-CB 3.28Å; G155-K175 WeakPolarHBondContact O-CB 3.42Å; G155-K175 PolarHBondContact O-N 2.79Å; K175-G194 CarbonylContact C-O 3.56Å; K175-G194 VanDerWaalsContact C-O 3.25Å; K175-G194 WeakPolarHBondContact CA-O 3.37Å; K175-G195 WeakPolarHBondContact O-CA 3.44Å |
| 176 | G | 95.7 | Very high | 98 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -73.5 | 156.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G155 G157 T173 | G155-G176 PolarHBondContact O-N 2.84Å; G157-G176 WeakPolarHBondContact O-CA 3.36Å; T173-G176 WeakPolarHBondContact CB-O 3.42Å; T173-G176 PolarHBondContact OG1-O 3Å |
| 177 | S | 97.8 | Very high | 98.1 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 28% | 0.28 | 24% | 0.235 | S | C | . | . | trans | -85 | 150.9 | 176.8 | -62.2 | 0 | 0 | 0 | 0 | 112 | N158 V159 H196 | N158-S177 CarbonylContact C-O 3.58Å; N158-S177 VanDerWaalsContact CA-O 3.3Å; N158-S177 WeakPolarHBondContact CA-O 3.3Å; N158-S177 PolarHBondContact OD1-N 2.86Å; V159-S177 PolarHBondContact N-O 2.9Å; S177-H196 CarbonylContact C-O 3.53Å; S177-H196 VanDerWaalsContact CA-O 3.28Å; S177-H196 WeakPolarHBondContact CA-O 3.36Å; S177-H196 WeakPolarHBondContact CB-O 3.31Å; S177-H196 PolarHBondContact OG-N 2.79Å; S177-H196 VanDerWaalsContact OG-N 3.09Å | ||
| 178 | C | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.9 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | V159 V171 T173 V190 H196 V197 T198 | V159-C178 CarbonylContact O-C 3.31Å; V159-C178 WeakPolarHBondContact O-CA 3.2Å; V171-C178 HydrophobicContact CG1-CB 4.36Å; T173-C178 HydrophobicContact CG2-CB 4.3Å; C178-V190 HydrophobicContact CB-CG1 4.09Å; C178-H196 PolarHBondContact N-O 2.75Å; C178-V197 HydrophobicContact CB-CG2 4.42Å; C178-V197 CarbonylContact O-C 3.55Å; C178-V197 WeakPolarHBondContact O-CA 2.93Å; C178-T198 PolarHBondContact O-N 3.42Å |
| 179 | L | 98.8 | Very high | 98.2 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 19% | 0.194 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.2 | 174.3 | 175.9 | 70.8 | 0 | 0 | 0 | 109.9 | V159 Q160 V161 T198 L200 | V159-L179 PolarHBondContact O-N 2.84Å; Q160-L179 CarbonylContact C-O 3.53Å; Q160-L179 WeakPolarHBondContact CA-O 3.13Å; Q160-L179 HydrophobicContact CB-CB 4.45Å; Q160-L179 HydrophobicContact CB-CD2 4.48Å; Q160-L179 HydrophobicContact CG-CB 4.15Å; Q160-L179 HydrophobicContact CG-CD2 4.18Å; V161-L179 PolarHBondContact N-O 3.28Å; L179-T198 WeakPolarHBondContact CA-O 3.15Å; L179-T198 HydrophobicContact CD1-CG2 3.83Å; L179-L200 HydrophobicContact CD1-CD1 3.7Å; L179-L200 HydrophobicContact CD1-CG 3.72Å |
| 180 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.2 | 169 | -58.2 | -174.8 | 0 | 0 | 0 | 109.2 | V161 V171 V183 V188 V190 T198 G199 L200 I203 | V161-L180 HydrophobicContact CB-CD2 3.79Å; V161-L180 HydrophobicContact CG2-CD2 4.03Å; V171-L180 HydrophobicContact CG2-CD2 4.48Å; L180-V183 HydrophobicContact CB-CG2 4.11Å; L180-V183 HydrophobicContact CD2-CG2 4.37Å; L180-V188 HydrophobicContact CD1-CG1 3.71Å; L180-V190 HydrophobicContact CD1-CG2 3.65Å; L180-V190 HydrophobicContact CG-CG2 4.42Å; L180-T198 PolarHBondContact N-O 2.94Å; L180-G199 CarbonylContact O-C 3.59Å; L180-G199 WeakPolarHBondContact O-CA 3.42Å; L180-L200 PolarHBondContact O-N 2.78Å; L180-I203 HydrophobicContact CB-CD1 4.05Å; L180-I203 HydrophobicContact CB-CG1 4.32Å; L180-I203 HydrophobicContact CD1-CD1 4.04Å |
| 181 | H | 98.6 | Very high | 98.2 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 29% | 0.292 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 107.1 | 179.7 | -175.8 | -169.9 | 0 | 0 | 0 | 111.5 | V161 K162 K163 V183 L200 | V161-H181 PolarHBondContact O-N 2.92Å; K162-H181 CarbonylContact C-O 3.49Å; K162-H181 WeakPolarHBondContact CA-O 3.23Å; K162-H181 HydrophobicContact CB-CB 4.46Å; K162-H181 HydrophobicContact CG-CB 4.1Å; K163-H181 PolarHBondContact N-O 2.9Å; H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 2.93Å; H181-L200 CarbonylContact C-O 3.55Å; H181-L200 WeakPolarHBondContact CA-O 3.46Å; H181-L200 HydrophobicContact CB-CB 4.17Å |
| 182 | S | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 55 | 45.3 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 113.3 | K163 L200 T202 | K163-S182 WeakPolarHBondContact CA-O 3.49Å; S182-L200 PolarHBondContact N-O 2.93Å; S182-T202 CarbonylContact C-O 3.57Å; S182-T202 VanDerWaalsContact CA-O 3.25Å; S182-T202 WeakPolarHBondContact CA-O 3.44Å |
| 183 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -84.9 | 136.2 | -179.5 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | V161 C169 L180 H181 T202 I203 H204 | V161-V183 HydrophobicContact CB-CG2 4.16Å; V161-V183 HydrophobicContact CG1-CG2 3.82Å; C169-V183 HydrophobicContact CB-CG1 4.34Å; L180-V183 HydrophobicContact CB-CG2 4.11Å; L180-V183 HydrophobicContact CD2-CG2 4.37Å; H181-V183 VanDerWaalsContact C-N 3.33Å; H181-V183 PolarHBondContact O-N 2.93Å; V183-T202 PolarHBondContact N-O 2.8Å; V183-I203 WeakPolarHBondContact O-CA 3.43Å; V183-H204 PolarHBondContact O-N 2.96Å | ||
| 184 | K | 98.6 | Very high | 97.7 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.9 | 171.3 | -57.8 | 180 | -171.3 | 168.4 | 0 | 108.8 | M164 E165 S166 H204 | M164-K184 PolarHBondContact O-N 2.94Å; E165-K184 CarbonylContact C-O 3.56Å; E165-K184 WeakPolarHBondContact CA-O 3.44Å; E165-K184 HydrophobicContact CB-CB 4.37Å; E165-K184 HydrophobicContact CG-CB 4Å; E165-K184 HydrophobicContact CG-CD 4.33Å; E165-K184 IonicContact OE2-NZ 3Å; S166-K184 PolarHBondContact N-O 3.18Å; K184-H204 HydrophobicContact CB-CB 4.16Å; K184-H204 HydrophobicContact CG-CB 3.92Å |
| 185 | A | 98.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 164.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S166 C169 Q187 V188 H204 G205 | S166-A185 WeakPolarHBondContact O-CA 3.43Å; C169-A185 HydrophobicContact CB-CB 4.24Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 WeakPolarHBondContact CB-O 3.49Å; A185-V188 HydrophobicContact CB-CG2 3.77Å; A185-H204 PolarHBondContact N-O 3.4Å; A185-H204 CarbonylContact O-C 3.57Å; A185-G205 WeakPolarHBondContact O-CA 3.25Å |
| 186 | H | 98.3 | Very high | 97.7 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.588 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -41.3 | 165.9 | -174.8 | 72.9 | 0 | 0 | 0 | 110.3 | S166 D167 N206 | S166-H186 PolarHBondContact O-N 2.84Å; D167-H186 WeakPolarHBondContact O-CA 3.45Å; D167-H186 WeakPolarHBondContact O-CB 3.34Å; D167-H186 PolarHBondContact O-N 2.86Å; H186-N206 WeakPolarHBondContact O-CB 3.25Å; H186-N206 PolarHBondContact O-N 3.18Å |
| 187 | Q | 98.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 35% | 0.346 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.5 | 175.7 | -176.8 | 175.2 | 3.3 | 0 | 0 | 111.2 | D167 V168 C169 A185 N206 | D167-Q187 PolarHBondContact O-N 2.87Å; V168-Q187 WeakPolarHBondContact CA-O 3.42Å; C169-Q187 PolarHBondContact N-O 2.91Å; A185-Q187 VanDerWaalsContact C-N 3.34Å; A185-Q187 WeakPolarHBondContact CB-O 3.49Å; Q187-N206 WeakPolarHBondContact CA-O 3.33Å |
| 188 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.8 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | C169 L180 A185 I203 N206 V207 D208 | C169-V188 CarbonylContact O-C 3.56Å; C169-V188 WeakPolarHBondContact O-CA 3.39Å; L180-V188 HydrophobicContact CD1-CG1 3.71Å; A185-V188 HydrophobicContact CB-CG2 3.77Å; V188-I203 HydrophobicContact CB-CG2 4.23Å; V188-I203 HydrophobicContact CG1-CG2 3.99Å; V188-I203 HydrophobicContact CG2-CG2 3.95Å; V188-N206 PolarHBondContact N-O 2.92Å; V188-V207 HydrophobicContact CB-CG2 4.24Å; V188-V207 CarbonylContact O-C 3.51Å; V188-V207 WeakPolarHBondContact O-CA 3.31Å; V188-D208 PolarHBondContact O-N 2.83Å |
| 189 | E | 98.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.2 | 179.4 | -171.2 | 177.4 | 164.4 | 0 | 0 | 109.9 | C169 K170 V171 R191 D208 | C169-E189 PolarHBondContact O-N 3Å; K170-E189 CarbonylContact C-O 3.56Å; K170-E189 VanDerWaalsContact CA-O 3.3Å; K170-E189 WeakPolarHBondContact CA-O 3.39Å; K170-E189 HydrophobicContact CB-CB 4.45Å; K170-E189 HydrophobicContact CD-CB 4.34Å; K170-E189 WeakPolarHBondContact CD-OE2 3.32Å; K170-E189 WeakPolarHBondContact CE-OE2 3.4Å; K170-E189 HydrophobicContact CG-CB 4.04Å; K170-E189 IonicContact NZ-OE2 3.86Å; K170-E189 PolarHBondContact NZ-OE2 2.99Å; V171-E189 PolarHBondContact N-O 3.48Å; E189-R191 IonicContact OE1-CZ 3.93Å; E189-R191 IonicContact OE1-NE 2.79Å; E189-R191 PolarHBondContact OE1-NE 3.09Å; E189-R191 IonicContact OE1-NH2 2.83Å; E189-R191 PolarHBondContact OE1-NH2 2.89Å; E189-D208 CarbonylContact C-O 3.59Å; E189-D208 VanDerWaalsContact CA-O 3.27Å; E189-D208 WeakPolarHBondContact CA-O 3.42Å; E189-D208 HydrophobicContact CG-CB 4.47Å |
| 190 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.6 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | V171 C178 L180 V197 D208 I209 S210 | V171-V190 HydrophobicContact CB-CG2 4.5Å; V171-V190 CarbonylContact O-C 3.52Å; V171-V190 WeakPolarHBondContact O-CA 3.28Å; C178-V190 HydrophobicContact CB-CG1 4.09Å; L180-V190 HydrophobicContact CD1-CG2 3.65Å; L180-V190 HydrophobicContact CG-CG2 4.42Å; V190-V197 HydrophobicContact CG1-CG1 4.03Å; V190-V197 HydrophobicContact CG1-CG2 3.78Å; V190-D208 PolarHBondContact N-O 3.27Å; V190-I209 HydrophobicContact CB-CG1 4.21Å; V190-I209 HydrophobicContact CG2-CG1 4.4Å; V190-I209 CarbonylContact O-C 3.54Å; V190-I209 WeakPolarHBondContact O-CA 3.49Å; V190-S210 PolarHBondContact O-N 2.7Å |
| 191 | R | 98.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 43.3 Ų | 43.3 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129 | 170.7 | -57.5 | -172.6 | -172.4 | -161.8 | -1.5 | 109.9 | V171 Q172 T173 E189 S210 | V171-R191 PolarHBondContact O-N 3.32Å; Q172-R191 CarbonylContact C-O 3.57Å; Q172-R191 VanDerWaalsContact CA-O 3.25Å; Q172-R191 WeakPolarHBondContact CA-O 3.24Å; Q172-R191 HydrophobicContact CG-CB 4.29Å; T173-R191 PolarHBondContact N-O 2.85Å; E189-R191 IonicContact OE1-CZ 3.93Å; E189-R191 IonicContact OE1-NE 2.79Å; E189-R191 PolarHBondContact OE1-NE 3.09Å; E189-R191 IonicContact OE1-NH2 2.83Å; E189-R191 PolarHBondContact OE1-NH2 2.89Å; R191-S210 CarbonylContact C-O 3.55Å; R191-S210 WeakPolarHBondContact CA-O 3.33Å |
| 192 | S | 97.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.4 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | T173 G194 S210 T211 K212 | T173-S192 WeakPolarHBondContact O-CA 3.28Å; T173-S192 WeakPolarHBondContact OG1-CA 3.39Å; T173-S192 VanDerWaalsContact OG1-CB 3.29Å; T173-S192 WeakPolarHBondContact OG1-CB 3.46Å; T173-S192 PolarHBondContact OG1-OG 2.78Å; S192-G194 VanDerWaalsContact OG-C 3.29Å; S192-G194 PolarHBondContact OG-N 2.76Å; S192-G194 PolarHBondContact OG-O 2.66Å; S192-S210 PolarHBondContact N-O 2.76Å; S192-T211 CarbonylContact O-C 3.52Å; S192-T211 WeakPolarHBondContact O-CA 3.3Å; S192-K212 PolarHBondContact O-N 3.35Å |
| 193 | Q | 97.3 | Very high | 97.8 | Very high | 97 Ų | 97 | 40.3 Ų | 40.3 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -80.3 | -13.4 | 170.5 | -53.6 | -58.6 | -54.3 | 0 | 0 | 111.8 | T173 E174 | T173-Q193 PolarHBondContact O-N 3.41Å; E174-Q193 CarbonylContact O-C 3.59Å; E174-Q193 VanDerWaalsContact O-C 3.23Å; E174-Q193 WeakPolarHBondContact O-CB 3.3Å |
| 194 | G | 90.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 178 | 153.4 | -172 | 0 | 0 | 0 | 0 | 0 | 110.1 | E174 K175 S192 S215 | E174-G194 VanDerWaalsContact O-CA 3.28Å; E174-G194 WeakPolarHBondContact O-CA 3.4Å; E174-G194 PolarHBondContact O-N 2.9Å; K175-G194 CarbonylContact C-O 3.56Å; K175-G194 VanDerWaalsContact C-O 3.25Å; K175-G194 WeakPolarHBondContact CA-O 3.37Å; S192-G194 VanDerWaalsContact OG-C 3.29Å; S192-G194 PolarHBondContact OG-N 2.76Å; S192-G194 PolarHBondContact OG-O 2.66Å; G194-S215 VanDerWaalsContact CA-OG 3.32Å; G194-S215 WeakPolarHBondContact CA-OG 3.5Å |
| 195 | G | 93.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 96 | 178.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K175 S215 | K175-G195 WeakPolarHBondContact O-CA 3.44Å; G195-S215 PolarHBondContact N-OG 3.41Å; G195-S215 WeakPolarHBondContact O-CA 3.38Å; G195-S215 WeakPolarHBondContact O-CB 3.39Å; G195-S215 PolarHBondContact O-OG 3.31Å |
| 196 | H | 97.9 | Very high | 97.8 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | trans | -107.1 | 147.3 | -175.3 | -58.9 | -30.5 | 0 | 0 | 0 | 111.7 | S177 C178 V216 | S177-H196 CarbonylContact C-O 3.53Å; S177-H196 VanDerWaalsContact CA-O 3.28Å; S177-H196 WeakPolarHBondContact CA-O 3.36Å; S177-H196 WeakPolarHBondContact CB-O 3.31Å; S177-H196 PolarHBondContact OG-N 2.79Å; S177-H196 VanDerWaalsContact OG-N 3.09Å; C178-H196 PolarHBondContact N-O 2.75Å; H196-V216 WeakPolarHBondContact CA-O 3.35Å; H196-V216 PolarHBondContact ND1-N 2.8Å | ||
| 197 | V | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.3 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | C178 V190 I209 T211 V216 V217 D218 | C178-V197 HydrophobicContact CB-CG2 4.42Å; C178-V197 CarbonylContact O-C 3.55Å; C178-V197 WeakPolarHBondContact O-CA 2.93Å; V190-V197 HydrophobicContact CG1-CG1 4.03Å; V190-V197 HydrophobicContact CG1-CG2 3.78Å; V197-I209 HydrophobicContact CB-CG2 4.35Å; V197-I209 HydrophobicContact CG1-CD1 4.46Å; V197-I209 HydrophobicContact CG1-CG2 3.99Å; V197-I209 HydrophobicContact CG2-CG2 4.4Å; V197-T211 HydrophobicContact CB-CG2 4.36Å; V197-T211 HydrophobicContact CG2-CG2 3.59Å; V197-V216 PolarHBondContact N-O 2.91Å; V197-V217 HydrophobicContact CB-CG2 4.33Å; V197-V217 WeakPolarHBondContact O-CA 3.34Å; V197-D218 PolarHBondContact O-N 2.86Å |
| 198 | T | 98.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.3 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | C178 L179 L180 L200 D218 | C178-T198 PolarHBondContact O-N 3.42Å; L179-T198 WeakPolarHBondContact CA-O 3.15Å; L179-T198 HydrophobicContact CD1-CG2 3.83Å; L180-T198 PolarHBondContact N-O 2.94Å; T198-L200 HydrophobicContact CG2-CD2 4.06Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; T198-D218 CarbonylContact C-O 3.59Å; T198-D218 WeakPolarHBondContact CA-O 3.29Å |
| 199 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 104.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L180 D218 K220 | L180-G199 CarbonylContact O-C 3.59Å; L180-G199 WeakPolarHBondContact O-CA 3.42Å; G199-D218 PolarHBondContact N-O 2.87Å; G199-K220 PolarHBondContact O-N 2.78Å |
| 200 | L | 97.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 28% | 0.277 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 140.9 | 172.7 | -61.4 | -177.5 | 0 | 0 | 0 | 110.9 | L179 L180 H181 S182 T198 K220 | L179-L200 HydrophobicContact CD1-CD1 3.7Å; L179-L200 HydrophobicContact CD1-CG 3.72Å; L180-L200 PolarHBondContact O-N 2.78Å; H181-L200 CarbonylContact C-O 3.55Å; H181-L200 WeakPolarHBondContact CA-O 3.46Å; H181-L200 HydrophobicContact CB-CB 4.17Å; S182-L200 PolarHBondContact N-O 2.93Å; T198-L200 HydrophobicContact CG2-CD2 4.06Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; L200-K220 HydrophobicContact CD2-CD 4.3Å |
| 201 | G | 97.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 26% | 0.258 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.3 | -140.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K221 | G201-K221 PolarHBondContact O-N 3.27Å |
| 202 | T | 98.4 | Very high | 97.7 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.6 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | S182 V183 K221 Q223 | S182-T202 CarbonylContact C-O 3.57Å; S182-T202 VanDerWaalsContact CA-O 3.25Å; S182-T202 WeakPolarHBondContact CA-O 3.44Å; V183-T202 PolarHBondContact N-O 2.8Å; T202-K221 WeakPolarHBondContact CA-O 3.16Å; T202-K221 HydrophobicContact CG2-CD 4.19Å; T202-K221 HydrophobicContact CG2-CG 4.13Å; T202-K221 WeakPolarHBondContact OG1-CD 3.13Å; T202-Q223 HydrophobicContact CG2-CB 3.97Å |
| 203 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.4 | 163.1 | -55.4 | 171.4 | 0 | 0 | 0 | 106.6 | L180 V183 V188 V207 V219 K221 L222 Q223 | L180-I203 HydrophobicContact CB-CD1 4.05Å; L180-I203 HydrophobicContact CB-CG1 4.32Å; L180-I203 HydrophobicContact CD1-CD1 4.04Å; V183-I203 WeakPolarHBondContact O-CA 3.43Å; V188-I203 HydrophobicContact CB-CG2 4.23Å; V188-I203 HydrophobicContact CG1-CG2 3.99Å; V188-I203 HydrophobicContact CG2-CG2 3.95Å; I203-V207 HydrophobicContact CG2-CG2 3.81Å; I203-V219 HydrophobicContact CD1-CG1 4.08Å; I203-K221 PolarHBondContact N-O 2.87Å; I203-L222 HydrophobicContact CB-CD2 3.82Å; I203-L222 HydrophobicContact CD1-CD2 4.12Å; I203-L222 HydrophobicContact CG1-CD2 4.42Å; I203-L222 HydrophobicContact CG2-CD2 4.41Å; I203-Q223 PolarHBondContact O-N 2.82Å |
| 204 | H | 98.6 | Very high | 97.7 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 34% | 0.343 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.9 | -179 | -172 | 88.5 | 0 | 0 | 0 | 110.6 | V183 K184 A185 Q223 | V183-H204 PolarHBondContact O-N 2.96Å; K184-H204 HydrophobicContact CB-CB 4.16Å; K184-H204 HydrophobicContact CG-CB 3.92Å; A185-H204 PolarHBondContact N-O 3.4Å; A185-H204 CarbonylContact O-C 3.57Å; H204-Q223 CarbonylContact C-O 3.46Å; H204-Q223 WeakPolarHBondContact CA-O 3.45Å; H204-Q223 PolarHBondContact ND1-O 2.83Å |
| 205 | G | 98.2 | Very high | 98 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 6% | 0.062 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140 | -172.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | A185 Q223 M227 | A185-G205 WeakPolarHBondContact O-CA 3.25Å; G205-Q223 PolarHBondContact N-O 2.86Å; G205-M227 WeakPolarHBondContact O-CE 3.41Å |
| 206 | N | 98.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 113 | 161.7 | -66.9 | -36.5 | 0 | 0 | 0 | 108.4 | H186 Q187 V188 T225 R226 | H186-N206 WeakPolarHBondContact O-CB 3.25Å; H186-N206 PolarHBondContact O-N 3.18Å; Q187-N206 WeakPolarHBondContact CA-O 3.33Å; V188-N206 PolarHBondContact N-O 2.92Å; N206-T225 WeakPolarHBondContact OD1-CB 3.4Å; N206-R226 WeakPolarHBondContact CA-O 3.44Å; N206-R226 PolarHBondContact OD1-N 3.08Å; N206-R226 VanDerWaalsContact OD1-N 3.16Å |
| 207 | V | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.6 | -169.4 | -178 | 0 | 0 | 0 | 0 | 110.3 | V188 I203 I209 L222 R226 M227 N228 | V188-V207 HydrophobicContact CB-CG2 4.24Å; V188-V207 CarbonylContact O-C 3.51Å; V188-V207 WeakPolarHBondContact O-CA 3.31Å; I203-V207 HydrophobicContact CG2-CG2 3.81Å; V207-I209 HydrophobicContact CG1-CD1 3.79Å; V207-I209 HydrophobicContact CG1-CG1 3.77Å; V207-L222 HydrophobicContact CG1-CD2 4.21Å; V207-L222 HydrophobicContact CG2-CD2 4.25Å; V207-R226 PolarHBondContact N-O 2.83Å; V207-M227 HydrophobicContact CB-SD 3.64Å; V207-M227 HydrophobicContact CG2-CE 4.48Å; V207-M227 HydrophobicContact CG2-SD 3.67Å; V207-M227 CarbonylContact O-C 3.55Å; V207-N228 PolarHBondContact O-N 2.88Å |
| 208 | D | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 110.8 | 170.7 | -160.5 | -50.4 | 0 | 0 | 0 | 109.1 | V188 E189 V190 N228 | V188-D208 PolarHBondContact O-N 2.83Å; E189-D208 CarbonylContact C-O 3.59Å; E189-D208 VanDerWaalsContact CA-O 3.27Å; E189-D208 WeakPolarHBondContact CA-O 3.42Å; E189-D208 HydrophobicContact CG-CB 4.47Å; V190-D208 PolarHBondContact N-O 3.27Å; D208-N228 WeakPolarHBondContact CA-O 3.41Å; D208-N228 PolarHBondContact OD2-ND2 3.43Å |
| 209 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.1 | 177.3 | -63.8 | 168.6 | 0 | 0 | 0 | 107.6 | V190 V197 V207 T211 V217 V219 N228 I229 S230 | V190-I209 HydrophobicContact CB-CG1 4.21Å; V190-I209 HydrophobicContact CG2-CG1 4.4Å; V190-I209 CarbonylContact O-C 3.54Å; V190-I209 WeakPolarHBondContact O-CA 3.49Å; V197-I209 HydrophobicContact CB-CG2 4.35Å; V197-I209 HydrophobicContact CG1-CD1 4.46Å; V197-I209 HydrophobicContact CG1-CG2 3.99Å; V197-I209 HydrophobicContact CG2-CG2 4.4Å; V207-I209 HydrophobicContact CG1-CD1 3.79Å; V207-I209 HydrophobicContact CG1-CG1 3.77Å; I209-T211 HydrophobicContact CG2-CG2 4.34Å; I209-V217 HydrophobicContact CG2-CG1 4.3Å; I209-V217 HydrophobicContact CG2-CG2 4.13Å; I209-V219 HydrophobicContact CD1-CG2 4.17Å; I209-N228 PolarHBondContact N-O 3.04Å; I209-I229 HydrophobicContact CB-CG2 4.24Å; I209-I229 HydrophobicContact CG2-CG2 4.44Å; I209-I229 CarbonylContact O-C 3.51Å; I209-I229 VanDerWaalsContact O-CA 3.29Å; I209-I229 WeakPolarHBondContact O-CA 3.34Å; I209-S230 PolarHBondContact O-N 3.4Å |
| 210 | S | 98.5 | Very high | 98.2 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.6 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | V190 R191 S192 S230 | V190-S210 PolarHBondContact O-N 2.7Å; R191-S210 CarbonylContact C-O 3.55Å; R191-S210 WeakPolarHBondContact CA-O 3.33Å; S192-S210 PolarHBondContact N-O 2.76Å; S210-S230 WeakPolarHBondContact CA-O 3.25Å; S210-S230 WeakPolarHBondContact CA-OG 3.42Å; S210-S230 WeakPolarHBondContact CB-OG 2.99Å; S210-S230 PolarHBondContact OG-OG 2.88Å |
| 211 | T | 98.3 | Very high | 98.3 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.6 | 178 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | S192 V197 I209 S215 V217 S230 T231 E232 | S192-T211 CarbonylContact O-C 3.52Å; S192-T211 WeakPolarHBondContact O-CA 3.3Å; V197-T211 HydrophobicContact CB-CG2 4.36Å; V197-T211 HydrophobicContact CG2-CG2 3.59Å; I209-T211 HydrophobicContact CG2-CG2 4.34Å; T211-S215 PolarHBondContact OG1-O 3.2Å; T211-V217 HydrophobicContact CG2-CG2 3.49Å; T211-V217 VanDerWaalsContact CG2-CG2 3.49Å; T211-S230 PolarHBondContact N-O 2.92Å; T211-T231 WeakPolarHBondContact OG1-CG2 3.28Å; T211-E232 PolarHBondContact O-N 3.3Å |
| 212 | K | 97.9 | Very high | 98.3 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 43% | 0.426 | 20% | 0.203 | S | C | . | . | trans | -116.4 | 168.3 | 176.1 | -60.8 | -159.2 | -168.2 | 160.3 | 0 | 112.7 | S192 S215 E232 | S192-K212 PolarHBondContact O-N 3.35Å; K212-S215 WeakPolarHBondContact O-CB 3.29Å; K212-S215 PolarHBondContact O-N 3.1Å; K212-S215 PolarHBondContact O-OG 3.46Å; K212-E232 WeakPolarHBondContact CA-OE2 3.27Å; K212-E232 WeakPolarHBondContact CB-OE2 3.37Å | ||
| 213 | G | 96.9 | Very high | 98.3 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -141.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S215 E232 H233 G234 | G213-S215 PolarHBondContact O-N 3.41Å; G213-E232 PolarHBondContact N-OE2 3.27Å; G213-H233 WeakPolarHBondContact O-CB 3.42Å; G213-H233 PolarHBondContact O-N 3.14Å; G213-G234 PolarHBondContact O-N 2.96Å |
| 214 | D | 97 | Very high | 98.3 | Very high | 125 Ų | 125 | 40.5 Ų | 40.5 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 21.6 | -176.7 | -53.9 | -50.9 | 0 | 0 | 0 | 113.7 | V216 H233 | D214-V216 PolarHBondContact O-N 2.81Å; D214-H233 WeakPolarHBondContact OD1-CB 3.34Å |
| 215 | S | 97.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | trans | -69.6 | 117.3 | -174.2 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | G194 G195 T211 K212 G213 | G194-S215 VanDerWaalsContact CA-OG 3.32Å; G194-S215 WeakPolarHBondContact CA-OG 3.5Å; G195-S215 PolarHBondContact N-OG 3.41Å; G195-S215 WeakPolarHBondContact O-CA 3.38Å; G195-S215 WeakPolarHBondContact O-CB 3.39Å; G195-S215 PolarHBondContact O-OG 3.31Å; T211-S215 PolarHBondContact OG1-O 3.2Å; K212-S215 WeakPolarHBondContact O-CB 3.29Å; K212-S215 PolarHBondContact O-N 3.1Å; K212-S215 PolarHBondContact O-OG 3.46Å; G213-S215 PolarHBondContact O-N 3.41Å | ||
| 216 | V | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 31% | 0.309 | 24% | 0.238 | S | C | . | . | trans | -77.8 | 140 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | H196 V197 D214 A235 | H196-V216 WeakPolarHBondContact CA-O 3.35Å; H196-V216 PolarHBondContact ND1-N 2.8Å; V197-V216 PolarHBondContact N-O 2.91Å; D214-V216 PolarHBondContact O-N 2.81Å; V216-A235 WeakPolarHBondContact CA-O 3.37Å; V216-A235 HydrophobicContact CG1-CB 4.5Å | ||
| 217 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.2 | 169 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | V197 I209 T211 V219 I229 T231 A235 L236 K237 | V197-V217 HydrophobicContact CB-CG2 4.33Å; V197-V217 WeakPolarHBondContact O-CA 3.34Å; I209-V217 HydrophobicContact CG2-CG1 4.3Å; I209-V217 HydrophobicContact CG2-CG2 4.13Å; T211-V217 HydrophobicContact CG2-CG2 3.49Å; T211-V217 VanDerWaalsContact CG2-CG2 3.49Å; V217-V219 HydrophobicContact CG1-CG2 3.96Å; V217-I229 HydrophobicContact CG1-CG2 4.13Å; V217-T231 HydrophobicContact CB-CG2 4.21Å; V217-T231 HydrophobicContact CG2-CG2 3.6Å; V217-A235 PolarHBondContact N-O 3.49Å; V217-L236 HydrophobicContact CB-CG 4.42Å; V217-K237 PolarHBondContact O-N 2.88Å |
| 218 | D | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 107.8 | 173.2 | -176.1 | 2.1 | 0 | 0 | 0 | 110.6 | V197 T198 G199 K237 | V197-D218 PolarHBondContact O-N 2.86Å; T198-D218 CarbonylContact C-O 3.59Å; T198-D218 WeakPolarHBondContact CA-O 3.29Å; G199-D218 PolarHBondContact N-O 2.87Å; D218-K237 WeakPolarHBondContact CA-O 3.41Å |
| 219 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.4 | -176.7 | 179.9 | 0 | 0 | 0 | 0 | 111 | I203 I209 V217 L222 K237 V238 K239 | I203-V219 HydrophobicContact CD1-CG1 4.08Å; I209-V219 HydrophobicContact CD1-CG2 4.17Å; V217-V219 HydrophobicContact CG1-CG2 3.96Å; V219-L222 HydrophobicContact CG1-CD2 3.58Å; V219-L222 HydrophobicContact CG1-CG 3.84Å; V219-K237 PolarHBondContact N-O 3.45Å; V219-V238 HydrophobicContact CB-CG1 4.27Å; V219-V238 HydrophobicContact CB-CG2 4.34Å; V219-V238 HydrophobicContact CG1-CG1 4.38Å; V219-V238 CarbonylContact O-C 3.45Å; V219-V238 VanDerWaalsContact O-CA 3.25Å; V219-V238 WeakPolarHBondContact O-CA 3.42Å; V219-K239 PolarHBondContact O-N 2.86Å |
| 220 | K | 98.3 | Very high | 98.2 | Very high | 96 Ų | 96 | 43.6 Ų | 43.6 | 42% | 0.417 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -51.8 | 178.5 | -70.8 | -174.1 | -179.2 | 178.3 | 0 | 112.7 | G199 L200 K239 A240 | G199-K220 PolarHBondContact O-N 2.78Å; L200-K220 HydrophobicContact CD2-CD 4.3Å; K220-K239 WeakPolarHBondContact O-CB 3.47Å; K220-A240 PolarHBondContact O-N 2.84Å |
| 221 | K | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 42 Ų | 42 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 131 | -175.6 | -177.2 | 175.2 | 165.8 | -177.7 | 0 | 111.8 | G201 T202 I203 A240 Y242 | G201-K221 PolarHBondContact O-N 3.27Å; T202-K221 WeakPolarHBondContact CA-O 3.16Å; T202-K221 HydrophobicContact CG2-CD 4.19Å; T202-K221 HydrophobicContact CG2-CG 4.13Å; T202-K221 WeakPolarHBondContact OG1-CD 3.13Å; I203-K221 PolarHBondContact N-O 2.87Å; K221-A240 WeakPolarHBondContact CA-O 3.27Å; K221-A240 HydrophobicContact CG-CB 4.45Å; K221-Y242 HydrophobicContact CD-CD2 4.22Å; K221-Y242 HydrophobicContact CD-CE2 4.02Å; K221-Y242 HydrophobicContact CG-CD2 4.1Å; K221-Y242 HydrophobicContact CG-CE2 4.16Å |
| 222 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.5 | 170.4 | -63.4 | -177.8 | 0 | 0 | 0 | 110 | I203 V207 V219 M227 I229 V238 A240 V241 Y242 | I203-L222 HydrophobicContact CB-CD2 3.82Å; I203-L222 HydrophobicContact CD1-CD2 4.12Å; I203-L222 HydrophobicContact CG1-CD2 4.42Å; I203-L222 HydrophobicContact CG2-CD2 4.41Å; V207-L222 HydrophobicContact CG1-CD2 4.21Å; V207-L222 HydrophobicContact CG2-CD2 4.25Å; V219-L222 HydrophobicContact CG1-CD2 3.58Å; V219-L222 HydrophobicContact CG1-CG 3.84Å; L222-M227 HydrophobicContact CB-CE 4.31Å; L222-M227 HydrophobicContact CB-CG 4.34Å; L222-M227 HydrophobicContact CB-SD 3.89Å; L222-M227 HydrophobicContact CD1-CB 4.42Å; L222-M227 HydrophobicContact CD1-CG 4.32Å; L222-M227 HydrophobicContact CD1-SD 4.2Å; L222-I229 HydrophobicContact CD1-CD1 3.43Å; L222-I229 VanDerWaalsContact CD1-CD1 3.43Å; L222-I229 HydrophobicContact CD1-CG1 4.3Å; L222-V238 HydrophobicContact CD1-CG1 4.02Å; L222-V238 HydrophobicContact CG-CG1 4.06Å; L222-A240 PolarHBondContact N-O 2.84Å; L222-V241 HydrophobicContact CB-CG1 4.46Å; L222-V241 HydrophobicContact CD1-CG2 4.48Å; L222-Y242 PolarHBondContact O-N 2.79Å |
| 223 | Q | 98.4 | Very high | 98.2 | Very high | 72 Ų | 72 | 44.3 Ų | 44.3 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 127.2 | 178.5 | -174.6 | 177.2 | -27.4 | 0 | 0 | 111.9 | T202 I203 H204 G205 Y242 | T202-Q223 HydrophobicContact CG2-CB 3.97Å; I203-Q223 PolarHBondContact O-N 2.82Å; H204-Q223 CarbonylContact C-O 3.46Å; H204-Q223 WeakPolarHBondContact CA-O 3.45Å; H204-Q223 PolarHBondContact ND1-O 2.83Å; G205-Q223 PolarHBondContact N-O 2.86Å; Q223-Y242 VanDerWaalsContact CA-O 3.31Å; Q223-Y242 WeakPolarHBondContact CA-O 3.46Å |
| 224 | G | 97.8 | Very high | 98.2 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 163.3 | -156.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M227 Y242 A243 | G224-M227 VanDerWaalsContact CA-CE 3.48Å; G224-Y242 PolarHBondContact N-O 2.92Å; G224-A243 VanDerWaalsContact O-CA 3.27Å; G224-A243 WeakPolarHBondContact O-CA 3.29Å |
| 225 | T | 97.9 | Very high | 98.2 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -92.9 | -47.6 | -180 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | N206 E244 S245 | N206-T225 WeakPolarHBondContact OD1-CB 3.4Å; T225-E244 HydrophobicContact CG2-CB 4.41Å; T225-E244 HydrophobicContact CG2-CG 4.43Å; T225-E244 PolarHBondContact O-N 2.94Å; T225-E244 VanDerWaalsContact O-N 3.09Å; T225-S245 PolarHBondContact O-N 3.21Å; T225-S245 VanDerWaalsContact O-N 3.08Å |
| 226 | R | 98.1 | Very high | 98.3 | Very high | 118 Ų | 118 | 39.3 Ų | 39.3 | 45% | 0.445 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.6 | -175.9 | -174.2 | -179.2 | 173.5 | 110.9 | 6.4 | 112.6 | N206 V207 N228 S245 | N206-R226 WeakPolarHBondContact CA-O 3.44Å; N206-R226 PolarHBondContact OD1-N 3.08Å; N206-R226 VanDerWaalsContact OD1-N 3.16Å; V207-R226 PolarHBondContact N-O 2.83Å; R226-N228 PolarHBondContact NE-ND2 2.89Å; R226-N228 PolarHBondContact NE-OD1 3Å; R226-N228 PolarHBondContact NH2-OD1 2.88Å; R226-S245 WeakPolarHBondContact CA-O 3.4Å |
| 227 | M | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.6 | 173.8 | -51.2 | -59.1 | 159.7 | 0 | 0 | 110.5 | G205 V207 L222 G224 V241 A243 S245 S246 C247 | G205-M227 WeakPolarHBondContact O-CE 3.41Å; V207-M227 HydrophobicContact CB-SD 3.64Å; V207-M227 HydrophobicContact CG2-CE 4.48Å; V207-M227 HydrophobicContact CG2-SD 3.67Å; V207-M227 CarbonylContact O-C 3.55Å; L222-M227 HydrophobicContact CB-CE 4.31Å; L222-M227 HydrophobicContact CB-CG 4.34Å; L222-M227 HydrophobicContact CB-SD 3.89Å; L222-M227 HydrophobicContact CD1-CB 4.42Å; L222-M227 HydrophobicContact CD1-CG 4.32Å; L222-M227 HydrophobicContact CD1-SD 4.2Å; G224-M227 VanDerWaalsContact CA-CE 3.48Å; M227-V241 HydrophobicContact CB-CG1 4.49Å; M227-V241 HydrophobicContact CG-CG1 3.88Å; M227-A243 HydrophobicContact CE-CB 3.97Å; M227-A243 HydrophobicContact CG-CB 3.69Å; M227-S245 PolarHBondContact N-O 2.92Å; M227-S246 CarbonylContact O-C 3.6Å; M227-S246 VanDerWaalsContact O-CA 3.3Å; M227-S246 WeakPolarHBondContact O-CA 3.22Å; M227-C247 PolarHBondContact O-N 3.3Å |
| 228 | N | 98.7 | Very high | 98.3 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126 | 169.8 | -62.9 | -33.8 | 0 | 0 | 0 | 108.3 | V207 D208 I209 R226 C247 | V207-N228 PolarHBondContact O-N 2.88Å; D208-N228 WeakPolarHBondContact CA-O 3.41Å; D208-N228 PolarHBondContact OD2-ND2 3.43Å; I209-N228 PolarHBondContact N-O 3.04Å; R226-N228 PolarHBondContact NE-ND2 2.89Å; R226-N228 PolarHBondContact NE-OD1 3Å; R226-N228 PolarHBondContact NH2-OD1 2.88Å; N228-C247 WeakPolarHBondContact CA-O 3.32Å |
| 229 | I | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 124.7 | -179.9 | -45.3 | 172.3 | 0 | 0 | 0 | 108.5 | I209 V217 L222 L236 V238 C247 V248 F249 | I209-I229 HydrophobicContact CB-CG2 4.24Å; I209-I229 HydrophobicContact CG2-CG2 4.44Å; I209-I229 CarbonylContact O-C 3.51Å; I209-I229 VanDerWaalsContact O-CA 3.29Å; I209-I229 WeakPolarHBondContact O-CA 3.34Å; V217-I229 HydrophobicContact CG1-CG2 4.13Å; L222-I229 HydrophobicContact CD1-CD1 3.43Å; L222-I229 VanDerWaalsContact CD1-CD1 3.43Å; L222-I229 HydrophobicContact CD1-CG1 4.3Å; I229-L236 HydrophobicContact CB-CD1 4.24Å; I229-L236 HydrophobicContact CG2-CD1 3.64Å; I229-L236 HydrophobicContact CG2-CD2 4.29Å; I229-L236 HydrophobicContact CG2-CG 4.01Å; I229-V238 HydrophobicContact CD1-CG2 3.58Å; I229-C247 PolarHBondContact N-O 3.16Å; I229-V248 CarbonylContact O-C 3.58Å; I229-V248 WeakPolarHBondContact O-CA 3.38Å; I229-F249 PolarHBondContact O-N 2.87Å |
| 230 | S | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144 | 176.7 | 62.4 | 0 | 0 | 0 | 0 | 113.1 | I209 S210 T211 F249 | I209-S230 PolarHBondContact O-N 3.4Å; S210-S230 WeakPolarHBondContact CA-O 3.25Å; S210-S230 WeakPolarHBondContact CA-OG 3.42Å; S210-S230 WeakPolarHBondContact CB-OG 2.99Å; S210-S230 PolarHBondContact OG-OG 2.88Å; T211-S230 PolarHBondContact N-O 2.92Å; S230-F249 VanDerWaalsContact CA-O 3.24Å; S230-F249 WeakPolarHBondContact CA-O 3.34Å |
| 231 | T | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.5 | 172.8 | 49.7 | 0 | 0 | 0 | 0 | 108.7 | T211 V217 G234 L236 F249 S250 C251 | T211-T231 WeakPolarHBondContact OG1-CG2 3.28Å; V217-T231 HydrophobicContact CB-CG2 4.21Å; V217-T231 HydrophobicContact CG2-CG2 3.6Å; T231-G234 PolarHBondContact OG1-O 2.64Å; T231-L236 HydrophobicContact CG2-CB 3.92Å; T231-L236 HydrophobicContact CG2-CD1 3.97Å; T231-L236 HydrophobicContact CG2-CG 4.16Å; T231-F249 PolarHBondContact N-O 3.12Å; T231-F249 VanDerWaalsContact N-O 3.08Å; T231-S250 WeakPolarHBondContact O-CA 3.33Å; T231-S250 WeakPolarHBondContact OG1-CB 3.36Å; T231-S250 PolarHBondContact OG1-OG 3.38Å; T231-C251 PolarHBondContact O-N 2.66Å |
| 232 | E | 98.4 | Very high | 98.2 | Very high | 69 Ų | 69 | 40.5 Ų | 40.5 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -87.9 | -65 | 172.8 | -169.6 | 176.5 | -165.7 | 0 | 0 | 110.7 | T211 K212 G213 C251 S252 | T211-E232 PolarHBondContact O-N 3.3Å; K212-E232 WeakPolarHBondContact CA-OE2 3.27Å; K212-E232 WeakPolarHBondContact CB-OE2 3.37Å; G213-E232 PolarHBondContact N-OE2 3.27Å; E232-C251 CarbonylContact O-C 3.55Å; E232-C251 VanDerWaalsContact O-CB 3.23Å; E232-C251 WeakPolarHBondContact O-CB 3.35Å; E232-C251 PolarHBondContact O-N 2.72Å; E232-S252 PolarHBondContact O-N 3.19Å |
| 233 | H | 97.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.37 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -123.8 | -17.2 | -179 | -54.6 | -51.9 | 0 | 0 | 0 | 114.9 | G213 D214 S252 | G213-H233 WeakPolarHBondContact O-CB 3.42Å; G213-H233 PolarHBondContact O-N 3.14Å; D214-H233 WeakPolarHBondContact OD1-CB 3.34Å; H233-S252 CarbonylContact C-O 3.51Å; H233-S252 WeakPolarHBondContact CA-O 3.39Å; H233-S252 WeakPolarHBondContact CA-OG 3.31Å; H233-S252 PolarHBondContact ND1-OG 2.9Å; H233-S252 VanDerWaalsContact O-O 3.06Å |
| 234 | G | 96.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -74.6 | 158.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G213 T231 | G213-G234 PolarHBondContact O-N 2.96Å; T231-G234 PolarHBondContact OG1-O 2.64Å |
| 235 | A | 98.2 | Very high | 98.1 | Very high | 43 Ų | 43 | 45 Ų | 45 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | trans | -65.4 | 142.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V216 V217 R254 | V216-A235 WeakPolarHBondContact CA-O 3.37Å; V216-A235 HydrophobicContact CG1-CB 4.5Å; V217-A235 PolarHBondContact N-O 3.49Å; A235-R254 WeakPolarHBondContact CA-O 3.48Å | ||
| 236 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117 | 178 | -169.7 | 163.7 | 0 | 0 | 0 | 109.3 | V217 I229 T231 V238 V248 R254 V255 E256 L257 | V217-L236 HydrophobicContact CB-CG 4.42Å; I229-L236 HydrophobicContact CB-CD1 4.24Å; I229-L236 HydrophobicContact CG2-CD1 3.64Å; I229-L236 HydrophobicContact CG2-CD2 4.29Å; I229-L236 HydrophobicContact CG2-CG 4.01Å; T231-L236 HydrophobicContact CG2-CB 3.92Å; T231-L236 HydrophobicContact CG2-CD1 3.97Å; T231-L236 HydrophobicContact CG2-CG 4.16Å; L236-V238 HydrophobicContact CD2-CG2 3.96Å; L236-V248 HydrophobicContact CD1-CG1 3.59Å; L236-V248 HydrophobicContact CD2-CG1 3.98Å; L236-V248 HydrophobicContact CG-CG1 4.46Å; L236-R254 PolarHBondContact N-O 3.22Å; L236-V255 HydrophobicContact CB-CG2 4.31Å; L236-V255 HydrophobicContact CD2-CG1 4.41Å; L236-V255 CarbonylContact O-C 3.53Å; L236-V255 WeakPolarHBondContact O-CA 3.44Å; L236-E256 PolarHBondContact O-N 2.8Å; L236-L257 HydrophobicContact CD2-CD2 4.14Å |
| 237 | K | 98.8 | Very high | 98.2 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.8 | 178.8 | -174 | 174.6 | -170.7 | 125 | 0 | 111.7 | V217 D218 V219 E256 | V217-K237 PolarHBondContact O-N 2.88Å; D218-K237 WeakPolarHBondContact CA-O 3.41Å; V219-K237 PolarHBondContact N-O 3.45Å; K237-E256 CarbonylContact C-O 3.51Å; K237-E256 VanDerWaalsContact CA-O 3.31Å; K237-E256 WeakPolarHBondContact CA-O 3.33Å; K237-E256 HydrophobicContact CB-CB 4.42Å; K237-E256 HydrophobicContact CG-CB 4.14Å; K237-E256 IonicContact NZ-OE2 3.53Å; K237-E256 PolarHBondContact NZ-OE2 2.78Å |
| 238 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 115.4 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | V219 L222 I229 L236 V241 E256 L257 G258 | V219-V238 HydrophobicContact CB-CG1 4.27Å; V219-V238 HydrophobicContact CB-CG2 4.34Å; V219-V238 HydrophobicContact CG1-CG1 4.38Å; V219-V238 CarbonylContact O-C 3.45Å; V219-V238 VanDerWaalsContact O-CA 3.25Å; V219-V238 WeakPolarHBondContact O-CA 3.42Å; L222-V238 HydrophobicContact CD1-CG1 4.02Å; L222-V238 HydrophobicContact CG-CG1 4.06Å; I229-V238 HydrophobicContact CD1-CG2 3.58Å; L236-V238 HydrophobicContact CD2-CG2 3.96Å; V238-V241 HydrophobicContact CB-CG2 4.23Å; V238-V241 HydrophobicContact CG1-CG2 3.56Å; V238-E256 PolarHBondContact N-O 3.35Å; V238-L257 HydrophobicContact CB-CD2 4Å; V238-L257 HydrophobicContact CG2-CD2 4.16Å; V238-L257 CarbonylContact O-C 3.5Å; V238-L257 WeakPolarHBondContact O-CA 3.32Å; V238-G258 PolarHBondContact O-N 3.12Å |
| 239 | K | 97.9 | Very high | 98.2 | Very high | 113 Ų | 113 | 40.6 Ų | 40.6 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -30.3 | -174.4 | -55.1 | -174 | 176.4 | -170.9 | 0 | 113.8 | V219 K220 G258 H259 | V219-K239 PolarHBondContact O-N 2.86Å; K220-K239 WeakPolarHBondContact O-CB 3.47Å; K239-G258 VanDerWaalsContact O-CA 3.25Å; K239-G258 WeakPolarHBondContact O-CA 3.49Å; K239-H259 PolarHBondContact O-N 3.06Å |
| 240 | A | 97.5 | Very high | 98.1 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 136 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K220 K221 L222 Y242 H259 | K220-A240 PolarHBondContact O-N 2.84Å; K221-A240 WeakPolarHBondContact CA-O 3.27Å; K221-A240 HydrophobicContact CG-CB 4.45Å; L222-A240 PolarHBondContact N-O 2.84Å; A240-Y242 HydrophobicContact CB-CD2 4.36Å; A240-Y242 HydrophobicContact CB-CE2 3.66Å; A240-H259 CarbonylContact C-O 3.59Å; A240-H259 WeakPolarHBondContact CA-O 3.3Å |
| 241 | V | 98.3 | Very high | 98.1 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.9 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | L222 M227 V238 A243 S246 H259 V260 H261 | L222-V241 HydrophobicContact CB-CG1 4.46Å; L222-V241 HydrophobicContact CD1-CG2 4.48Å; M227-V241 HydrophobicContact CB-CG1 4.49Å; M227-V241 HydrophobicContact CG-CG1 3.88Å; V238-V241 HydrophobicContact CB-CG2 4.23Å; V238-V241 HydrophobicContact CG1-CG2 3.56Å; V241-A243 HydrophobicContact CG1-CB 4.07Å; V241-S246 VanDerWaalsContact CG1-OG 3.29Å; V241-S246 WeakPolarHBondContact CG1-OG 3.28Å; V241-H259 PolarHBondContact N-O 2.95Å; V241-V260 HydrophobicContact CB-CB 4.47Å; V241-V260 HydrophobicContact CB-CG1 4.13Å; V241-V260 HydrophobicContact CG2-CG1 4.19Å; V241-H261 PolarHBondContact O-N 2.84Å |
| 242 | Y | 97.9 | Very high | 98.1 | Very high | 95 Ų | 95 | 42 Ų | 42 | 37% | 0.373 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 86.2 | 174.7 | -61.8 | -85.9 | 0 | 0 | 0 | 108.8 | K221 L222 Q223 G224 A240 H261 | K221-Y242 HydrophobicContact CD-CD2 4.22Å; K221-Y242 HydrophobicContact CD-CE2 4.02Å; K221-Y242 HydrophobicContact CG-CD2 4.1Å; K221-Y242 HydrophobicContact CG-CE2 4.16Å; L222-Y242 PolarHBondContact O-N 2.79Å; Q223-Y242 VanDerWaalsContact CA-O 3.31Å; Q223-Y242 WeakPolarHBondContact CA-O 3.46Å; G224-Y242 PolarHBondContact N-O 2.92Å; A240-Y242 HydrophobicContact CB-CD2 4.36Å; A240-Y242 HydrophobicContact CB-CE2 3.66Å; Y242-H261 AromaticContact CD1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CD1-CD2 3.34Å; Y242-H261 AromaticContact CD1-NE2 3.87Å; Y242-H261 AromaticContact CE1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CE1-CD2 3.47Å; Y242-H261 AromaticContact CE1-NE2 3.42Å; Y242-H261 WeakPolarHBondContact CE1-NE2 3.47Å |
| 243 | A | 97.6 | Very high | 98 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 167.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G224 M227 V241 H261 G262 | G224-A243 VanDerWaalsContact O-CA 3.27Å; G224-A243 WeakPolarHBondContact O-CA 3.29Å; M227-A243 HydrophobicContact CE-CB 3.97Å; M227-A243 HydrophobicContact CG-CB 3.69Å; V241-A243 HydrophobicContact CG1-CB 4.07Å; A243-H261 CarbonylContact O-C 3.56Å; A243-H261 VanDerWaalsContact O-C 3.31Å; A243-G262 VanDerWaalsContact O-CA 3.27Å; A243-G262 WeakPolarHBondContact O-CA 3.39Å; A243-G262 PolarHBondContact O-N 2.72Å |
| 244 | E | 97.4 | Very high | 98.1 | Very high | 134 Ų | 134 | 41.4 Ų | 41.4 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -38.4 | 167.4 | -65.9 | 177.4 | -162.2 | 0 | 0 | 110.5 | T225 G262 N263 | T225-E244 HydrophobicContact CG2-CB 4.41Å; T225-E244 HydrophobicContact CG2-CG 4.43Å; T225-E244 PolarHBondContact O-N 2.94Å; T225-E244 VanDerWaalsContact O-N 3.09Å; E244-G262 WeakPolarHBondContact O-CA 3.44Å; E244-N263 PolarHBondContact O-N 3.15Å |
| 245 | S | 97.9 | Very high | 98.2 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 139.5 | 178.5 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | T225 R226 M227 N263 | T225-S245 PolarHBondContact O-N 3.21Å; T225-S245 VanDerWaalsContact O-N 3.08Å; R226-S245 WeakPolarHBondContact CA-O 3.4Å; M227-S245 PolarHBondContact N-O 2.92Å; S245-N263 CarbonylContact C-O 3.57Å; S245-N263 VanDerWaalsContact CA-O 3.29Å; S245-N263 WeakPolarHBondContact CA-O 3.27Å |
| 246 | S | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 132.5 | 177.6 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | M227 V241 N263 T264 T265 | M227-S246 CarbonylContact O-C 3.6Å; M227-S246 VanDerWaalsContact O-CA 3.3Å; M227-S246 WeakPolarHBondContact O-CA 3.22Å; V241-S246 VanDerWaalsContact CG1-OG 3.29Å; V241-S246 WeakPolarHBondContact CG1-OG 3.28Å; S246-N263 PolarHBondContact N-O 2.92Å; S246-T264 CarbonylContact O-C 3.54Å; S246-T264 WeakPolarHBondContact O-CA 3.44Å; S246-T265 PolarHBondContact O-N 2.86Å |
| 247 | C | 98.6 | Very high | 98.2 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 35% | 0.345 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.6 | 172.2 | -65.5 | 0 | 0 | 0 | 0 | 109.3 | M227 N228 I229 T265 | M227-C247 PolarHBondContact O-N 3.3Å; N228-C247 WeakPolarHBondContact CA-O 3.32Å; I229-C247 PolarHBondContact N-O 3.16Å; C247-T265 WeakPolarHBondContact CA-O 3.44Å |
| 248 | V | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | I229 L236 V255 L257 T265 V266 E267 | I229-V248 CarbonylContact O-C 3.58Å; I229-V248 WeakPolarHBondContact O-CA 3.38Å; L236-V248 HydrophobicContact CD1-CG1 3.59Å; L236-V248 HydrophobicContact CD2-CG1 3.98Å; L236-V248 HydrophobicContact CG-CG1 4.46Å; V248-V255 HydrophobicContact CG1-CG1 3.99Å; V248-L257 HydrophobicContact CG2-CD1 4.1Å; V248-L257 HydrophobicContact CG2-CD2 4.28Å; V248-T265 PolarHBondContact N-O 2.96Å; V248-V266 HydrophobicContact CB-CG1 4.24Å; V248-V266 HydrophobicContact CB-CG2 4.25Å; V248-V266 HydrophobicContact CG1-CG1 4.24Å; V248-V266 CarbonylContact O-C 3.49Å; V248-V266 WeakPolarHBondContact O-CA 3.29Å; V248-E267 PolarHBondContact O-N 2.92Å |
| 249 | F | 98.6 | Very high | 97.9 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.8 | 179.8 | 177.3 | -93 | 0 | 0 | 0 | 111.8 | I229 S230 T231 C251 E267 | I229-F249 PolarHBondContact O-N 2.87Å; S230-F249 VanDerWaalsContact CA-O 3.24Å; S230-F249 WeakPolarHBondContact CA-O 3.34Å; T231-F249 PolarHBondContact N-O 3.12Å; T231-F249 VanDerWaalsContact N-O 3.08Å; F249-C251 VanDerWaalsContact CE1-SG 3.55Å; F249-E267 CarbonylContact C-O 3.59Å; F249-E267 VanDerWaalsContact CA-O 3.24Å; F249-E267 WeakPolarHBondContact CA-O 3.26Å; F249-E267 HydrophobicContact CD2-CB 3.91Å |
| 250 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 133.7 | 170 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | T231 S252 E267 N268 E269 | T231-S250 WeakPolarHBondContact O-CA 3.33Å; T231-S250 WeakPolarHBondContact OG1-CB 3.36Å; T231-S250 PolarHBondContact OG1-OG 3.38Å; S250-S252 PolarHBondContact OG-O 2.89Å; S250-E267 PolarHBondContact N-O 3.26Å; S250-N268 CarbonylContact O-C 3.6Å; S250-N268 WeakPolarHBondContact O-CA 3.41Å; S250-E269 PolarHBondContact O-N 3.27Å |
| 251 | C | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 38.5 Ų | 38.5 | 25% | 0.25 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -43.9 | 171.3 | -49.2 | 0 | 0 | 0 | 0 | 110 | T231 E232 F249 E269 S270 | T231-C251 PolarHBondContact O-N 2.66Å; E232-C251 CarbonylContact O-C 3.55Å; E232-C251 VanDerWaalsContact O-CB 3.23Å; E232-C251 WeakPolarHBondContact O-CB 3.35Å; E232-C251 PolarHBondContact O-N 2.72Å; F249-C251 VanDerWaalsContact CE1-SG 3.55Å; C251-E269 WeakPolarHBondContact O-CB 3.45Å; C251-S270 PolarHBondContact O-N 3.35Å |
| 252 | S | 97.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 157.1 | 169.4 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | E232 H233 S250 S270 | E232-S252 PolarHBondContact O-N 3.19Å; H233-S252 CarbonylContact C-O 3.51Å; H233-S252 WeakPolarHBondContact CA-O 3.39Å; H233-S252 WeakPolarHBondContact CA-OG 3.31Å; H233-S252 PolarHBondContact ND1-OG 2.9Å; H233-S252 VanDerWaalsContact O-O 3.06Å; S250-S252 PolarHBondContact OG-O 2.89Å; S252-S270 CarbonylContact C-O 3.57Å; S252-S270 WeakPolarHBondContact CA-O 3.4Å; S252-S270 WeakPolarHBondContact CB-O 2.97Å |
| 253 | G | 97.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 119.6 | 170.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N268 S270 | G253-N268 PolarHBondContact O-ND2 2.83Å; G253-N268 PolarHBondContact O-OD1 2.96Å; G253-S270 PolarHBondContact N-O 2.88Å |
| 254 | R | 98.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 38.5 Ų | 38.5 | 44% | 0.438 | 21% | 0.206 | S | C | . | . | trans | -81.2 | 129.8 | -179.7 | -167.2 | 179 | -171.6 | -158 | 10.6 | 110.2 | A235 L236 E256 D272 | A235-R254 WeakPolarHBondContact CA-O 3.48Å; L236-R254 PolarHBondContact N-O 3.22Å; R254-E256 WeakPolarHBondContact CD-OE1 3.4Å; R254-E256 HydrophobicContact CG-CG 4.23Å; R254-E256 IonicContact CZ-OE1 2.67Å; R254-E256 VanDerWaalsContact CZ-OE1 3.3Å; R254-E256 IonicContact NE-OE1 3.18Å; R254-E256 IonicContact NH1-OE1 2.86Å; R254-E256 PolarHBondContact NH1-OE1 2.91Å; R254-D272 WeakPolarHBondContact CA-O 3.37Å; R254-D272 HydrophobicContact CG-CB 4.36Å; R254-D272 WeakPolarHBondContact CG-O 3.34Å | ||
| 255 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.3 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | L236 V248 L257 V266 N268 D272 T273 V274 | L236-V255 HydrophobicContact CB-CG2 4.31Å; L236-V255 HydrophobicContact CD2-CG1 4.41Å; L236-V255 CarbonylContact O-C 3.53Å; L236-V255 WeakPolarHBondContact O-CA 3.44Å; V248-V255 HydrophobicContact CG1-CG1 3.99Å; V255-L257 HydrophobicContact CG1-CG 4.27Å; V255-V266 HydrophobicContact CG1-CG1 3.99Å; V255-N268 HydrophobicContact CG2-CB 4.13Å; V255-N268 WeakPolarHBondContact CG2-ND2 3.39Å; V255-D272 PolarHBondContact N-O 2.8Å; V255-T273 HydrophobicContact CB-CG2 4.27Å; V255-T273 HydrophobicContact CG1-CG2 4.27Å; V255-T273 CarbonylContact O-C 3.25Å; V255-T273 WeakPolarHBondContact O-CA 3.48Å; V255-V274 PolarHBondContact O-N 2.86Å |
| 256 | E | 98.8 | Very high | 97.7 | Very high | 48 Ų | 48 | 32.1 Ų | 32.1 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 106.4 | 177.6 | -72.1 | 178.3 | -142.3 | 0 | 0 | 110.3 | L236 K237 V238 R254 | L236-E256 PolarHBondContact O-N 2.8Å; K237-E256 CarbonylContact C-O 3.51Å; K237-E256 VanDerWaalsContact CA-O 3.31Å; K237-E256 WeakPolarHBondContact CA-O 3.33Å; K237-E256 HydrophobicContact CB-CB 4.42Å; K237-E256 HydrophobicContact CG-CB 4.14Å; K237-E256 IonicContact NZ-OE2 3.53Å; K237-E256 PolarHBondContact NZ-OE2 2.78Å; V238-E256 PolarHBondContact N-O 3.35Å; R254-E256 WeakPolarHBondContact CD-OE1 3.4Å; R254-E256 HydrophobicContact CG-CG 4.23Å; R254-E256 IonicContact CZ-OE1 2.67Å; R254-E256 VanDerWaalsContact CZ-OE1 3.3Å; R254-E256 IonicContact NE-OE1 3.18Å; R254-E256 IonicContact NH1-OE1 2.86Å; R254-E256 PolarHBondContact NH1-OE1 2.91Å |
| 257 | L | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 131 | 169.5 | -54.6 | -178.9 | 0 | 0 | 0 | 108.7 | L236 V238 V248 V255 V260 T264 V266 V274 V275 D276 | L236-L257 HydrophobicContact CD2-CD2 4.14Å; V238-L257 HydrophobicContact CB-CD2 4Å; V238-L257 HydrophobicContact CG2-CD2 4.16Å; V238-L257 CarbonylContact O-C 3.5Å; V238-L257 WeakPolarHBondContact O-CA 3.32Å; V248-L257 HydrophobicContact CG2-CD1 4.1Å; V248-L257 HydrophobicContact CG2-CD2 4.28Å; V255-L257 HydrophobicContact CG1-CG 4.27Å; L257-V260 HydrophobicContact CB-CG1 3.91Å; L257-V260 HydrophobicContact CD1-CG1 4.14Å; L257-T264 HydrophobicContact CD1-CG2 4.34Å; L257-V266 HydrophobicContact CD1-CG2 3.66Å; L257-V274 PolarHBondContact N-O 3.3Å; L257-V275 HydrophobicContact CB-CG1 4.3Å; L257-V275 HydrophobicContact CB-CG2 4.27Å; L257-V275 HydrophobicContact CD1-CG2 4.37Å; L257-V275 CarbonylContact O-C 3.58Å; L257-V275 VanDerWaalsContact O-CA 3.28Å; L257-V275 WeakPolarHBondContact O-CA 3.41Å; L257-D276 PolarHBondContact O-N 3.08Å |
| 258 | G | 96.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -117.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V238 K239 D276 G277 | V238-G258 PolarHBondContact O-N 3.12Å; K239-G258 VanDerWaalsContact O-CA 3.25Å; K239-G258 WeakPolarHBondContact O-CA 3.49Å; G258-D276 PolarHBondContact O-N 3.09Å; G258-G277 PolarHBondContact O-N 3.42Å |
| 259 | H | 95 | Very high | 97.7 | Very high | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.8 | 172.6 | -63.3 | -62.6 | 0 | 0 | 0 | 111.3 | K239 A240 V241 G277 L385 | K239-H259 PolarHBondContact O-N 3.06Å; A240-H259 CarbonylContact C-O 3.59Å; A240-H259 WeakPolarHBondContact CA-O 3.3Å; V241-H259 PolarHBondContact N-O 2.95Å; H259-G277 WeakPolarHBondContact CA-O 3.42Å; H259-L385 WeakPolarHBondContact NE2-CD2 3.28Å |
| 260 | V | 96.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 131 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | V241 L257 V275 G277 | V241-V260 HydrophobicContact CB-CB 4.47Å; V241-V260 HydrophobicContact CB-CG1 4.13Å; V241-V260 HydrophobicContact CG2-CG1 4.19Å; L257-V260 HydrophobicContact CB-CG1 3.91Å; L257-V260 HydrophobicContact CD1-CG1 4.14Å; V260-V275 HydrophobicContact CG2-CG1 3.99Å; V260-G277 PolarHBondContact N-O 2.93Å |
| 261 | H | 94.8 | Very high | 97.6 | Very high | 77 Ų | 77 | 38.2 Ų | 38.2 | 36% | 0.356 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.5 | 171.1 | -68.1 | -93.6 | 0 | 0 | 0 | 109.8 | V241 Y242 A243 | V241-H261 PolarHBondContact O-N 2.84Å; Y242-H261 AromaticContact CD1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CD1-CD2 3.34Å; Y242-H261 AromaticContact CD1-NE2 3.87Å; Y242-H261 AromaticContact CE1-CD2 3.36Å; Y242-H261 WeakPolarHBondContact CE1-CD2 3.47Å; Y242-H261 AromaticContact CE1-NE2 3.42Å; Y242-H261 WeakPolarHBondContact CE1-NE2 3.47Å; A243-H261 CarbonylContact O-C 3.56Å; A243-H261 VanDerWaalsContact O-C 3.31Å |
| 262 | G | 95.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 40 Ų | 40 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.5 | -178.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | A243 E244 T264 S280 | A243-G262 VanDerWaalsContact O-CA 3.27Å; A243-G262 WeakPolarHBondContact O-CA 3.39Å; A243-G262 PolarHBondContact O-N 2.72Å; E244-G262 WeakPolarHBondContact O-CA 3.44Å; G262-T264 PolarHBondContact O-N 2.77Å; G262-T264 PolarHBondContact O-OG1 3.2Å; G262-S280 WeakPolarHBondContact O-CB 3.49Å |
| 263 | N | 97 | Very high | 97.7 | Very high | 95 Ų | 95 | 38.4 Ų | 38.4 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.9 | -176.8 | -67.2 | -14 | 0 | 0 | 0 | 109.8 | E244 S245 S246 F281 | E244-N263 PolarHBondContact O-N 3.15Å; S245-N263 CarbonylContact C-O 3.57Å; S245-N263 VanDerWaalsContact CA-O 3.29Å; S245-N263 WeakPolarHBondContact CA-O 3.27Å; S246-N263 PolarHBondContact N-O 2.92Å; N263-F281 WeakPolarHBondContact CA-O 3.4Å; N263-F281 WeakPolarHBondContact OD1-CB 3.5Å |
| 264 | T | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 129.8 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | S246 L257 G262 V266 F281 L282 K283 | S246-T264 CarbonylContact O-C 3.54Å; S246-T264 WeakPolarHBondContact O-CA 3.44Å; L257-T264 HydrophobicContact CD1-CG2 4.34Å; G262-T264 PolarHBondContact O-N 2.77Å; G262-T264 PolarHBondContact O-OG1 3.2Å; T264-V266 HydrophobicContact CG2-CG2 4.03Å; T264-F281 PolarHBondContact N-O 3.47Å; T264-L282 HydrophobicContact CG2-CD1 3.86Å; T264-L282 CarbonylContact O-C 3.54Å; T264-L282 WeakPolarHBondContact O-CA 3.25Å; T264-K283 PolarHBondContact O-N 2.61Å |
| 265 | T | 98.8 | Very high | 97.8 | Very high | 41 Ų | 41 | 32.6 Ų | 32.6 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.8 | 170.3 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | S246 C247 V248 E267 K283 | S246-T265 PolarHBondContact O-N 2.86Å; C247-T265 WeakPolarHBondContact CA-O 3.44Å; V248-T265 PolarHBondContact N-O 2.96Å; T265-E267 HydrophobicContact CG2-CG 4.37Å; T265-K283 CarbonylContact C-O 3.53Å; T265-K283 WeakPolarHBondContact CA-O 3.42Å; T265-K283 HydrophobicContact CG2-CB 4.45Å |
| 266 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.9 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | V248 V255 L257 T264 T273 L282 K283 V284 S285 | V248-V266 HydrophobicContact CB-CG1 4.24Å; V248-V266 HydrophobicContact CB-CG2 4.25Å; V248-V266 HydrophobicContact CG1-CG1 4.24Å; V248-V266 CarbonylContact O-C 3.49Å; V248-V266 WeakPolarHBondContact O-CA 3.29Å; V255-V266 HydrophobicContact CG1-CG1 3.99Å; L257-V266 HydrophobicContact CD1-CG2 3.66Å; T264-V266 HydrophobicContact CG2-CG2 4.03Å; V266-T273 HydrophobicContact CG1-CG2 3.91Å; V266-L282 HydrophobicContact CG2-CD1 4.38Å; V266-K283 PolarHBondContact N-O 2.84Å; V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CB-CG1 4.22Å; V266-V284 HydrophobicContact CB-CG2 4.17Å; V266-V284 HydrophobicContact CG1-CG1 4.49Å; V266-V284 HydrophobicContact CG2-CG2 4.33Å; V266-V284 CarbonylContact O-C 3.54Å; V266-V284 WeakPolarHBondContact O-CA 3.24Å; V266-S285 PolarHBondContact O-N 2.81Å |
| 267 | E | 98.7 | Very high | 97.4 | Very high | 90 Ų | 90 | 31.8 Ų | 31.8 | 42% | 0.421 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 110.7 | 173.1 | -67.3 | -177.6 | -175.9 | 0 | 0 | 108 | V248 F249 S250 T265 S285 | V248-E267 PolarHBondContact O-N 2.92Å; F249-E267 CarbonylContact C-O 3.59Å; F249-E267 VanDerWaalsContact CA-O 3.24Å; F249-E267 WeakPolarHBondContact CA-O 3.26Å; F249-E267 HydrophobicContact CD2-CB 3.91Å; S250-E267 PolarHBondContact N-O 3.26Å; T265-E267 HydrophobicContact CG2-CG 4.37Å; E267-S285 WeakPolarHBondContact CA-O 3.24Å |
| 268 | N | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 100.2 | 177.4 | -175.3 | 4.3 | 0 | 0 | 0 | 108.4 | S250 G253 V255 S270 G271 T273 S285 S286 | S250-N268 CarbonylContact O-C 3.6Å; S250-N268 WeakPolarHBondContact O-CA 3.41Å; G253-N268 PolarHBondContact O-ND2 2.83Å; G253-N268 PolarHBondContact O-OD1 2.96Å; V255-N268 HydrophobicContact CG2-CB 4.13Å; V255-N268 WeakPolarHBondContact CG2-ND2 3.39Å; N268-S270 PolarHBondContact O-N 2.85Å; N268-G271 PolarHBondContact ND2-O 2.8Å; N268-T273 WeakPolarHBondContact CB-OG1 3.14Å; N268-T273 PolarHBondContact ND2-OG1 2.8Å; N268-T273 VanDerWaalsContact ND2-OG1 3.16Å; N268-S285 PolarHBondContact N-O 3.5Å; N268-S286 WeakPolarHBondContact O-CA 3.14Å; N268-S286 WeakPolarHBondContact O-CB 3.16Å; N268-S286 PolarHBondContact O-OG 3.02Å |
| 269 | E | 98.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 34.6 Ų | 34.6 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | -51 | -173.7 | -62 | -178.7 | 171.6 | 0 | 0 | 110.6 | S250 C251 S286 V287 S288 | S250-E269 PolarHBondContact O-N 3.27Å; C251-E269 WeakPolarHBondContact O-CB 3.45Å; E269-S286 PolarHBondContact O-OG 2.94Å; E269-V287 HydrophobicContact CB-CG2 4.45Å; E269-V287 CarbonylContact O-C 3.54Å; E269-V287 WeakPolarHBondContact O-CA 3.35Å; E269-V287 WeakPolarHBondContact O-CB 3.34Å; E269-V287 PolarHBondContact O-N 3.44Å; E269-S288 PolarHBondContact O-N 3.43Å |
| 270 | S | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 38% | 0.378 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 104.7 | -179 | -173.5 | 0 | 0 | 0 | 0 | 114 | C251 S252 G253 N268 S288 | C251-S270 PolarHBondContact O-N 3.35Å; S252-S270 CarbonylContact C-O 3.57Å; S252-S270 WeakPolarHBondContact CA-O 3.4Å; S252-S270 WeakPolarHBondContact CB-O 2.97Å; G253-S270 PolarHBondContact N-O 2.88Å; N268-S270 PolarHBondContact O-N 2.85Å; S270-S288 CarbonylContact C-O 3.53Å; S270-S288 WeakPolarHBondContact CA-O 3.44Å; S270-S288 PolarHBondContact OG-OG 3.02Å |
| 271 | G | 98.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 149.5 | 166.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N268 S288 | N268-G271 PolarHBondContact ND2-O 2.8Å; G271-S288 PolarHBondContact N-O 2.99Å |
| 272 | D | 98.7 | Very high | 96.9 | Very high | 74 Ų | 74 | 34 Ų | 34 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | trans | -72.5 | 140 | 179.9 | -65.4 | -27.7 | 0 | 0 | 0 | 111 | R254 V255 S290 | R254-D272 WeakPolarHBondContact CA-O 3.37Å; R254-D272 HydrophobicContact CG-CB 4.36Å; R254-D272 WeakPolarHBondContact CG-O 3.34Å; V255-D272 PolarHBondContact N-O 2.8Å; D272-S290 CarbonylContact C-O 3.53Å; D272-S290 WeakPolarHBondContact CA-O 3.33Å; D272-S290 PolarHBondContact OD1-N 3.26Å | ||
| 273 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.2 | 176.4 | -58.1 | 0 | 0 | 0 | 0 | 109.7 | V255 V266 N268 V284 S290 I291 D292 | V255-T273 HydrophobicContact CB-CG2 4.27Å; V255-T273 HydrophobicContact CG1-CG2 4.27Å; V255-T273 CarbonylContact O-C 3.25Å; V255-T273 WeakPolarHBondContact O-CA 3.48Å; V266-T273 HydrophobicContact CG1-CG2 3.91Å; N268-T273 WeakPolarHBondContact CB-OG1 3.14Å; N268-T273 PolarHBondContact ND2-OG1 2.8Å; N268-T273 VanDerWaalsContact ND2-OG1 3.16Å; T273-V284 HydrophobicContact CG2-CG1 3.79Å; T273-S290 PolarHBondContact N-O 2.78Å; T273-I291 CarbonylContact O-C 3.53Å; T273-I291 WeakPolarHBondContact O-CA 3.42Å; T273-D292 PolarHBondContact O-N 2.93Å |
| 274 | V | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 9% | 0.085 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.8 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V255 L257 D292 | V255-V274 PolarHBondContact O-N 2.86Å; L257-V274 PolarHBondContact N-O 3.3Å; V274-D292 CarbonylContact C-O 3.6Å; V274-D292 VanDerWaalsContact CA-O 3.25Å; V274-D292 WeakPolarHBondContact CA-O 3.39Å; V274-D292 HydrophobicContact CG2-CB 4.4Å |
| 275 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 114.2 | 170.6 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | L257 V260 L282 D292 V293 Y294 R313 | L257-V275 HydrophobicContact CB-CG1 4.3Å; L257-V275 HydrophobicContact CB-CG2 4.27Å; L257-V275 HydrophobicContact CD1-CG2 4.37Å; L257-V275 CarbonylContact O-C 3.58Å; L257-V275 VanDerWaalsContact O-CA 3.28Å; L257-V275 WeakPolarHBondContact O-CA 3.41Å; V260-V275 HydrophobicContact CG2-CG1 3.99Å; V275-L282 HydrophobicContact CB-CD2 4.18Å; V275-L282 HydrophobicContact CG1-CD2 3.99Å; V275-L282 HydrophobicContact CG2-CD2 4.21Å; V275-D292 PolarHBondContact N-O 2.91Å; V275-V293 HydrophobicContact CB-CG1 4.39Å; V275-V293 HydrophobicContact CB-CG2 4.06Å; V275-V293 HydrophobicContact CG2-CG2 4.07Å; V275-V293 WeakPolarHBondContact O-CA 3.17Å; V275-Y294 PolarHBondContact O-N 3.44Å; V275-R313 PolarHBondContact O-NH2 3.28Å |
| 276 | D | 95.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -15.1 | -174.8 | -74.6 | -29.1 | 0 | 0 | 0 | 114.3 | L257 G258 Y294 R313 K386 | L257-D276 PolarHBondContact O-N 3.08Å; G258-D276 PolarHBondContact O-N 3.09Å; D276-Y294 VanDerWaalsContact O-CB 3.29Å; D276-Y294 WeakPolarHBondContact O-CB 3.41Å; D276-R313 IonicContact OD1-NH2 2.86Å; D276-R313 PolarHBondContact OD1-NH2 3.06Å; D276-R313 VanDerWaalsContact OD1-NH2 3.12Å; D276-K386 WeakPolarHBondContact OD1-CE 3.45Å; D276-K386 IonicContact OD1-NZ 2.84Å; D276-K386 PolarHBondContact OD1-NZ 2.89Å; D276-K386 IonicContact OD2-NZ 3.1Å; D276-K386 PolarHBondContact OD2-NZ 2.9Å |
| 277 | G | 93.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | 141.6 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G258 H259 V260 Y294 | G258-G277 PolarHBondContact O-N 3.42Å; H259-G277 WeakPolarHBondContact CA-O 3.42Å; V260-G277 PolarHBondContact N-O 2.93Å; G277-Y294 WeakPolarHBondContact CA-O 3.39Å |
| 278 | S | 94.2 | Very high | 97 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.3 | 167.4 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | S280 Y294 G296 | S278-S280 PolarHBondContact OG-N 2.93Å; S278-Y294 PolarHBondContact N-O 2.81Å; S278-Y294 VanDerWaalsContact N-O 3.12Å; S278-G296 PolarHBondContact O-N 3Å |
| 279 | N | 91.6 | Very high | 97 | Very high | 71 Ų | 71 | 33.7 Ų | 33.7 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -108.8 | 18.5 | 172 | -65.5 | 26.8 | 0 | 0 | 0 | 111.4 | ||
| 280 | S | 93 | Very high | 97 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -133 | -158.2 | -178.1 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | G262 S278 G299 T300 | G262-S280 WeakPolarHBondContact O-CB 3.49Å; S278-S280 PolarHBondContact OG-N 2.93Å; S280-G299 WeakPolarHBondContact O-CA 3.4Å; S280-T300 PolarHBondContact O-N 2.76Å |
| 281 | F | 95.9 | Very high | 97.1 | Very high | 77 Ų | 77 | 29.1 Ų | 29.1 | 34% | 0.338 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.1 | 173.8 | -179.7 | -104.1 | 0 | 0 | 0 | 111.3 | N263 T264 K283 T300 D302 | N263-F281 WeakPolarHBondContact CA-O 3.4Å; N263-F281 WeakPolarHBondContact OD1-CB 3.5Å; T264-F281 PolarHBondContact N-O 3.47Å; F281-K283 HydrophobicContact CE1-CB 3.84Å; F281-K283 HydrophobicContact CZ-CB 3.98Å; F281-T300 CarbonylContact C-O 3.57Å; F281-T300 WeakPolarHBondContact CA-O 3.36Å; F281-T300 HydrophobicContact CD2-CG2 3.79Å; F281-T300 HydrophobicContact CE2-CG2 4.15Å; F281-D302 HydrophobicContact CZ-CB 4.48Å |
| 282 | L | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.2 | 174.9 | 176.5 | 62.8 | 0 | 0 | 0 | 110.3 | T264 V266 V275 V284 V293 T300 A301 D302 | T264-L282 HydrophobicContact CG2-CD1 3.86Å; T264-L282 CarbonylContact O-C 3.54Å; T264-L282 WeakPolarHBondContact O-CA 3.25Å; V266-L282 HydrophobicContact CG2-CD1 4.38Å; V275-L282 HydrophobicContact CB-CD2 4.18Å; V275-L282 HydrophobicContact CG1-CD2 3.99Å; V275-L282 HydrophobicContact CG2-CD2 4.21Å; L282-V284 HydrophobicContact CD1-CG2 3.92Å; L282-V284 HydrophobicContact CD2-CG2 4.26Å; L282-V284 HydrophobicContact CG-CG2 3.92Å; L282-V293 HydrophobicContact CD2-CB 4.47Å; L282-V293 HydrophobicContact CD2-CG1 3.37Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; L282-T300 PolarHBondContact N-O 3Å; L282-A301 CarbonylContact O-C 3.51Å; L282-A301 VanDerWaalsContact O-CA 3.26Å; L282-A301 WeakPolarHBondContact O-CA 3.29Å; L282-D302 PolarHBondContact O-N 3.47Å |
| 283 | K | 98.7 | Very high | 97.1 | Very high | 82 Ų | 82 | 26.8 Ų | 26.8 | 36% | 0.357 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.9 | 169.4 | -177.4 | 173.7 | 179.1 | -177.5 | 0 | 109.6 | T264 T265 V266 F281 D302 | T264-K283 PolarHBondContact O-N 2.61Å; T265-K283 CarbonylContact C-O 3.53Å; T265-K283 WeakPolarHBondContact CA-O 3.42Å; T265-K283 HydrophobicContact CG2-CB 4.45Å; V266-K283 PolarHBondContact N-O 2.84Å; F281-K283 HydrophobicContact CE1-CB 3.84Å; F281-K283 HydrophobicContact CZ-CB 3.98Å; K283-D302 CarbonylContact C-O 3.55Å; K283-D302 VanDerWaalsContact CA-O 3.28Å; K283-D302 WeakPolarHBondContact CA-O 3.41Å; K283-D302 HydrophobicContact CG-CB 4.37Å |
| 284 | V | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.5 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | V266 T273 L282 I291 V293 D302 L303 H304 | V266-V284 HydrophobicContact CB-CB 4.5Å; V266-V284 HydrophobicContact CB-CG1 4.22Å; V266-V284 HydrophobicContact CB-CG2 4.17Å; V266-V284 HydrophobicContact CG1-CG1 4.49Å; V266-V284 HydrophobicContact CG2-CG2 4.33Å; V266-V284 CarbonylContact O-C 3.54Å; V266-V284 WeakPolarHBondContact O-CA 3.24Å; T273-V284 HydrophobicContact CG2-CG1 3.79Å; L282-V284 HydrophobicContact CD1-CG2 3.92Å; L282-V284 HydrophobicContact CD2-CG2 4.26Å; L282-V284 HydrophobicContact CG-CG2 3.92Å; V284-I291 HydrophobicContact CB-CD1 4.4Å; V284-I291 HydrophobicContact CB-CG2 4.38Å; V284-I291 HydrophobicContact CG1-CD1 3.81Å; V284-I291 HydrophobicContact CG1-CG1 4.05Å; V284-I291 HydrophobicContact CG1-CG2 4.05Å; V284-V293 HydrophobicContact CG2-CG2 4.28Å; V284-D302 PolarHBondContact N-O 3.44Å; V284-L303 HydrophobicContact CB-CD2 3.75Å; V284-L303 HydrophobicContact CG2-CD2 3.67Å; V284-L303 CarbonylContact O-C 3.55Å; V284-L303 WeakPolarHBondContact O-CA 3.49Å; V284-H304 PolarHBondContact O-N 2.93Å |
| 285 | S | 98.6 | Very high | 96.9 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.4 | 173.2 | 51 | 0 | 0 | 0 | 0 | 112 | V266 E267 N268 H304 | V266-S285 PolarHBondContact O-N 2.81Å; E267-S285 WeakPolarHBondContact CA-O 3.24Å; N268-S285 PolarHBondContact N-O 3.5Å; S285-H304 CarbonylContact C-O 3.57Å; S285-H304 VanDerWaalsContact CA-O 3.24Å; S285-H304 WeakPolarHBondContact CA-O 3.43Å |
| 286 | S | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.4 | 178 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | N268 E269 S288 H304 T305 R306 | N268-S286 WeakPolarHBondContact O-CA 3.14Å; N268-S286 WeakPolarHBondContact O-CB 3.16Å; N268-S286 PolarHBondContact O-OG 3.02Å; E269-S286 PolarHBondContact O-OG 2.94Å; S286-S288 PolarHBondContact OG-N 3.23Å; S286-S288 PolarHBondContact OG-O 3.06Å; S286-H304 PolarHBondContact N-O 2.86Å; S286-T305 WeakPolarHBondContact O-CA 3.26Å; S286-R306 PolarHBondContact O-N 3.01Å |
| 287 | V | 98.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 35% | 0.345 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -46.5 | 171.5 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | E269 R306 D307 | E269-V287 HydrophobicContact CB-CG2 4.45Å; E269-V287 CarbonylContact O-C 3.54Å; E269-V287 WeakPolarHBondContact O-CA 3.35Å; E269-V287 WeakPolarHBondContact O-CB 3.34Å; E269-V287 PolarHBondContact O-N 3.44Å; V287-R306 WeakPolarHBondContact O-CB 3.45Å; V287-D307 WeakPolarHBondContact O-CB 3.37Å; V287-D307 PolarHBondContact O-N 3.5Å |
| 288 | S | 97.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.7 | 176.3 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | E269 S270 G271 S286 D307 | E269-S288 PolarHBondContact O-N 3.43Å; S270-S288 CarbonylContact C-O 3.53Å; S270-S288 WeakPolarHBondContact CA-O 3.44Å; S270-S288 PolarHBondContact OG-OG 3.02Å; G271-S288 PolarHBondContact N-O 2.99Å; S286-S288 PolarHBondContact OG-N 3.23Å; S286-S288 PolarHBondContact OG-O 3.06Å; S288-D307 WeakPolarHBondContact CA-O 3.47Å |
| 289 | G | 97.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 113.1 | 156.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T305 D307 G308 | G289-T305 PolarHBondContact O-OG1 2.98Å; G289-D307 PolarHBondContact N-O 2.85Å; G289-G308 WeakPolarHBondContact O-CA 3.32Å |
| 290 | S | 98.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | trans | -86.9 | 145.3 | -174.6 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | D272 T273 A309 | D272-S290 CarbonylContact C-O 3.53Å; D272-S290 WeakPolarHBondContact CA-O 3.33Å; D272-S290 PolarHBondContact OD1-N 3.26Å; T273-S290 PolarHBondContact N-O 2.78Å; S290-A309 CarbonylContact C-O 3.57Å; S290-A309 VanDerWaalsContact CA-O 3.26Å; S290-A309 WeakPolarHBondContact CA-O 3.23Å | ||
| 291 | I | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.4 | 175.4 | -62.4 | 171.6 | 0 | 0 | 0 | 108.1 | T273 V284 V293 L303 H304 T305 A309 V310 S311 | T273-I291 CarbonylContact O-C 3.53Å; T273-I291 WeakPolarHBondContact O-CA 3.42Å; V284-I291 HydrophobicContact CB-CD1 4.4Å; V284-I291 HydrophobicContact CB-CG2 4.38Å; V284-I291 HydrophobicContact CG1-CD1 3.81Å; V284-I291 HydrophobicContact CG1-CG1 4.05Å; V284-I291 HydrophobicContact CG1-CG2 4.05Å; I291-V293 HydrophobicContact CG2-CG2 3.6Å; I291-L303 HydrophobicContact CG2-CD2 4.44Å; I291-H304 WeakPolarHBondContact CD1-O 3.44Å; I291-T305 HydrophobicContact CD1-CG2 4.43Å; I291-A309 PolarHBondContact N-O 2.87Å; I291-V310 HydrophobicContact CB-CG1 4.37Å; I291-V310 HydrophobicContact CB-CG2 4.32Å; I291-V310 HydrophobicContact CD1-CG2 4.46Å; I291-V310 HydrophobicContact CG2-CG1 4.39Å; I291-V310 CarbonylContact O-C 3.57Å; I291-V310 WeakPolarHBondContact O-CA 3.44Å; I291-S311 PolarHBondContact O-N 3.01Å |
| 292 | D | 98.6 | Very high | 96.3 | Very high | 43 Ų | 43 | 25.7 Ų | 25.7 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 110.6 | 172.4 | -177.5 | -7.8 | 0 | 0 | 0 | 110 | T273 V274 V275 S311 R313 | T273-D292 PolarHBondContact O-N 2.93Å; V274-D292 CarbonylContact C-O 3.6Å; V274-D292 VanDerWaalsContact CA-O 3.25Å; V274-D292 WeakPolarHBondContact CA-O 3.39Å; V274-D292 HydrophobicContact CG2-CB 4.4Å; V275-D292 PolarHBondContact N-O 2.91Å; D292-S311 WeakPolarHBondContact CA-O 3.5Å; D292-R313 VanDerWaalsContact OD1-CD 3.32Å; D292-R313 WeakPolarHBondContact OD1-CD 3.38Å; D292-R313 IonicContact OD1-CZ 2.84Å; D292-R313 IonicContact OD1-NE 2.66Å; D292-R313 PolarHBondContact OD1-NE 3.04Å; D292-R313 IonicContact OD1-NH2 3.3Å; D292-R313 IonicContact OD2-NE 3.44Å |
| 293 | V | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.6 | -171.6 | 170.4 | 0 | 0 | 0 | 0 | 111 | V275 L282 V284 I291 V295 L303 S311 V312 R313 | V275-V293 HydrophobicContact CB-CG1 4.39Å; V275-V293 HydrophobicContact CB-CG2 4.06Å; V275-V293 HydrophobicContact CG2-CG2 4.07Å; V275-V293 WeakPolarHBondContact O-CA 3.17Å; L282-V293 HydrophobicContact CD2-CB 4.47Å; L282-V293 HydrophobicContact CD2-CG1 3.37Å; L282-V293 HydrophobicContact CD2-CG2 4.24Å; V284-V293 HydrophobicContact CG2-CG2 4.28Å; I291-V293 HydrophobicContact CG2-CG2 3.6Å; V293-V295 HydrophobicContact CG1-CG2 3.9Å; V293-L303 HydrophobicContact CB-CD1 4.07Å; V293-L303 HydrophobicContact CB-CD2 4.46Å; V293-L303 HydrophobicContact CG1-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CD2 4.44Å; V293-L303 HydrophobicContact CG2-CD1 4.29Å; V293-L303 HydrophobicContact CG2-CD2 4.01Å; V293-S311 PolarHBondContact N-O 2.94Å; V293-V312 WeakPolarHBondContact O-CA 3.32Å; V293-R313 PolarHBondContact O-N 2.89Å |
| 294 | Y | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 24.8 Ų | 24.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123 | 163.6 | -178.5 | -84.4 | 0 | 0 | 0 | 111.2 | V275 D276 G277 S278 R313 Q379 | V275-Y294 PolarHBondContact O-N 3.44Å; D276-Y294 VanDerWaalsContact O-CB 3.29Å; D276-Y294 WeakPolarHBondContact O-CB 3.41Å; G277-Y294 WeakPolarHBondContact CA-O 3.39Å; S278-Y294 PolarHBondContact N-O 2.81Å; S278-Y294 VanDerWaalsContact N-O 3.12Å; Y294-R313 CarbonylContact C-O 3.46Å; Y294-R313 VanDerWaalsContact CA-O 3.26Å; Y294-R313 WeakPolarHBondContact CA-O 3.42Å; Y294-R313 HydrophobicContact CD2-CB 3.85Å; Y294-R313 HydrophobicContact CG-CB 4.45Å; Y294-Q379 HydrophobicContact CD2-CB 4.41Å; Y294-Q379 HydrophobicContact CE2-CB 4.31Å |
| 295 | V | 96.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 112.7 | 175 | -172.6 | 0 | 0 | 0 | 0 | 108 | V293 A301 V312 R313 V314 P315 L318 V365 | V293-V295 HydrophobicContact CG1-CG2 3.9Å; V295-A301 HydrophobicContact CG2-CB 3.69Å; V295-V312 HydrophobicContact CG2-CG1 4.01Å; V295-R313 PolarHBondContact N-O 2.86Å; V295-V314 HydrophobicContact CB-CG1 4.32Å; V295-P315 WeakPolarHBondContact O-CD 3.06Å; V295-L318 HydrophobicContact CG1-CD2 4.29Å; V295-V365 HydrophobicContact CG1-CG2 4.31Å |
| 296 | G | 93.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | -83.8 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S278 G298 G299 L318 | S278-G296 PolarHBondContact O-N 3Å; G296-G298 PolarHBondContact O-N 2.85Å; G296-G299 PolarHBondContact O-N 3.08Å; G296-L318 WeakPolarHBondContact O-CD1 3.48Å | ||
| 297 | D | 87.8 | Confident | 96.3 | Very high | 78 Ų | 78 | 31 Ų | 31 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 124.8 | 179.7 | -62.1 | -52 | 0 | 0 | 0 | 111 | G299 P315 S317 | D297-G299 VanDerWaalsContact C-N 3.33Å; D297-P315 WeakPolarHBondContact OD1-CG 3.39Å; D297-S317 VanDerWaalsContact CG-OG 3.31Å; D297-S317 WeakPolarHBondContact OD1-CB 3.12Å; D297-S317 PolarHBondContact OD1-OG 2.83Å; D297-S317 PolarHBondContact OD2-OG 2.88Å |
| 298 | G | 85 | Confident | 96.2 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 36% | 0.361 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 0.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G296 | G296-G298 PolarHBondContact O-N 2.85Š|
| 299 | G | 91.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -77 | 149.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S280 G296 D297 | S280-G299 WeakPolarHBondContact O-CA 3.4Å; G296-G299 PolarHBondContact O-N 3.08Å; D297-G299 VanDerWaalsContact C-N 3.33Å | ||
| 300 | T | 95.5 | Very high | 96.3 | Very high | 28 Ų | 28 | 28 Ų | 28 | 17% | 0.172 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138 | 170.1 | -66.6 | 0 | 0 | 0 | 0 | 107.7 | S280 F281 L282 D362 W364 | S280-T300 PolarHBondContact O-N 2.76Å; F281-T300 CarbonylContact C-O 3.57Å; F281-T300 WeakPolarHBondContact CA-O 3.36Å; F281-T300 HydrophobicContact CD2-CG2 3.79Å; F281-T300 HydrophobicContact CE2-CG2 4.15Å; L282-T300 PolarHBondContact N-O 3Å; T300-D362 PolarHBondContact OG1-O 3.39Å; T300-W364 CarbonylContact C-O 3.57Å; T300-W364 WeakPolarHBondContact CA-O 3.33Å; T300-W364 VanDerWaalsContact CG2-O 3.26Å; T300-W364 WeakPolarHBondContact CG2-O 3.36Å |
| 301 | A | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L282 V295 L303 W364 K366 | L282-A301 CarbonylContact O-C 3.51Å; L282-A301 VanDerWaalsContact O-CA 3.26Å; L282-A301 WeakPolarHBondContact O-CA 3.29Å; V295-A301 HydrophobicContact CG2-CB 3.69Å; A301-L303 HydrophobicContact CB-CD1 4.44Å; A301-L303 HydrophobicContact CB-CD2 4.28Å; A301-L303 HydrophobicContact CB-CG 4.15Å; A301-W364 PolarHBondContact N-O 2.67Å; A301-K366 PolarHBondContact O-N 3.44Å |
| 302 | D | 98.6 | Very high | 96.3 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 32% | 0.321 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 102.4 | 168.6 | -172.7 | 9 | 0 | 0 | 0 | 109 | F281 L282 K283 V284 | F281-D302 HydrophobicContact CZ-CB 4.48Å; L282-D302 PolarHBondContact O-N 3.47Å; K283-D302 CarbonylContact C-O 3.55Å; K283-D302 VanDerWaalsContact CA-O 3.28Å; K283-D302 WeakPolarHBondContact CA-O 3.41Å; K283-D302 HydrophobicContact CG-CB 4.37Å; V284-D302 PolarHBondContact N-O 3.44Å |
| 303 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.7 | -170.8 | -48.2 | 177.1 | 0 | 0 | 0 | 109.5 | V284 I291 V293 A301 V310 V312 K366 A367 R368 | V284-L303 HydrophobicContact CB-CD2 3.75Å; V284-L303 HydrophobicContact CG2-CD2 3.67Å; V284-L303 CarbonylContact O-C 3.55Å; V284-L303 WeakPolarHBondContact O-CA 3.49Å; I291-L303 HydrophobicContact CG2-CD2 4.44Å; V293-L303 HydrophobicContact CB-CD1 4.07Å; V293-L303 HydrophobicContact CB-CD2 4.46Å; V293-L303 HydrophobicContact CG1-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CD2 4.44Å; V293-L303 HydrophobicContact CG2-CD1 4.29Å; V293-L303 HydrophobicContact CG2-CD2 4.01Å; A301-L303 HydrophobicContact CB-CD1 4.44Å; A301-L303 HydrophobicContact CB-CD2 4.28Å; A301-L303 HydrophobicContact CB-CG 4.15Å; L303-V310 HydrophobicContact CB-CG1 4.1Å; L303-V310 HydrophobicContact CD1-CG1 3.94Å; L303-V312 HydrophobicContact CD1-CG2 3.71Å; L303-K366 PolarHBondContact N-O 2.85Å; L303-A367 HydrophobicContact CB-CB 4.35Å; L303-A367 HydrophobicContact CD1-CB 4.5Å; L303-A367 CarbonylContact O-C 3.59Å; L303-A367 WeakPolarHBondContact O-CA 3.38Å; L303-R368 PolarHBondContact O-N 2.9Å |
| 304 | H | 98.8 | Very high | 96.1 | Very high | 64 Ų | 64 | 24.7 Ų | 24.7 | 30% | 0.296 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.2 | 179.9 | 178 | -126.4 | 0 | 0 | 0 | 111.8 | V284 S285 S286 I291 R368 D370 | V284-H304 PolarHBondContact O-N 2.93Å; S285-H304 CarbonylContact C-O 3.57Å; S285-H304 VanDerWaalsContact CA-O 3.24Å; S285-H304 WeakPolarHBondContact CA-O 3.43Å; S286-H304 PolarHBondContact N-O 2.86Å; I291-H304 WeakPolarHBondContact CD1-O 3.44Å; H304-R368 CarbonylContact C-O 3.58Å; H304-R368 WeakPolarHBondContact CA-O 3.39Å; H304-D370 IonicContact CD2-OD2 3.95Å; H304-D370 IonicContact CE1-OD2 3.65Å; H304-D370 IonicContact NE2-OD1 3.8Å; H304-D370 IonicContact NE2-OD2 2.86Å; H304-D370 PolarHBondContact NE2-OD2 2.85Å |
| 305 | T | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.1 | 166.4 | -176.6 | 0 | 0 | 0 | 0 | 110 | S286 G289 I291 G308 V310 R368 A369 D370 | S286-T305 WeakPolarHBondContact O-CA 3.26Å; G289-T305 PolarHBondContact O-OG1 2.98Å; I291-T305 HydrophobicContact CD1-CG2 4.43Å; T305-G308 VanDerWaalsContact CG2-O 3.28Å; T305-G308 WeakPolarHBondContact CG2-O 3.32Å; T305-V310 HydrophobicContact CG2-CG2 3.62Å; T305-R368 PolarHBondContact N-O 2.94Å; T305-A369 HydrophobicContact CG2-CB 4.09Å; T305-A369 WeakPolarHBondContact O-CA 3.29Å; T305-D370 PolarHBondContact O-N 3.23Å |
| 306 | R | 98.2 | Very high | 95.6 | Very high | 118 Ų | 118 | 29.1 Ų | 29.1 | 45% | 0.445 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -55.8 | 175.3 | -171.9 | -174.6 | 73.8 | -161.9 | 0.7 | 110.9 | S286 V287 D370 R371 | S286-R306 PolarHBondContact O-N 3.01Å; V287-R306 WeakPolarHBondContact O-CB 3.45Å; R306-D370 HydrophobicContact CG-CB 4.36Å; R306-R371 WeakPolarHBondContact O-CB 3.48Å; R306-R371 PolarHBondContact O-N 2.9Å |
| 307 | D | 97.3 | Very high | 95.5 | Very high | 55 Ų | 55 | 32 Ų | 32 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 61.7 | -173.5 | -56.9 | -49.5 | 0 | 0 | 0 | 111 | V287 S288 G289 R371 | V287-D307 WeakPolarHBondContact O-CB 3.37Å; V287-D307 PolarHBondContact O-N 3.5Å; S288-D307 WeakPolarHBondContact CA-O 3.47Å; G289-D307 PolarHBondContact N-O 2.85Å; D307-R371 VanDerWaalsContact OD1-CD 3.3Å; D307-R371 WeakPolarHBondContact OD1-CD 3.07Å; D307-R371 IonicContact OD1-NE 3.2Å |
| 308 | G | 97.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -169.2 | 174.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G289 T305 A369 G372 | G289-G308 WeakPolarHBondContact O-CA 3.32Å; T305-G308 VanDerWaalsContact CG2-O 3.28Å; T305-G308 WeakPolarHBondContact CG2-O 3.32Å; G308-A369 WeakPolarHBondContact O-CB 3.49Å; G308-G372 WeakPolarHBondContact O-CA 3.35Å |
| 309 | A | 98.4 | Very high | 95.9 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 26% | 0.264 | 18% | 0.179 | S | C | . | . | trans | -97.8 | 154.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S290 I291 S373 | S290-A309 CarbonylContact C-O 3.57Å; S290-A309 VanDerWaalsContact CA-O 3.26Å; S290-A309 WeakPolarHBondContact CA-O 3.23Å; I291-A309 PolarHBondContact N-O 2.87Å; A309-S373 WeakPolarHBondContact CA-O 3.3Å | ||
| 310 | V | 98.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123 | 172 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | I291 L303 T305 V312 A367 A369 S373 V374 Q375 | I291-V310 HydrophobicContact CB-CG1 4.37Å; I291-V310 HydrophobicContact CB-CG2 4.32Å; I291-V310 HydrophobicContact CD1-CG2 4.46Å; I291-V310 HydrophobicContact CG2-CG1 4.39Å; I291-V310 CarbonylContact O-C 3.57Å; I291-V310 WeakPolarHBondContact O-CA 3.44Å; L303-V310 HydrophobicContact CB-CG1 4.1Å; L303-V310 HydrophobicContact CD1-CG1 3.94Å; T305-V310 HydrophobicContact CG2-CG2 3.62Å; V310-V312 HydrophobicContact CG1-CG2 3.92Å; V310-A367 HydrophobicContact CG1-CB 3.95Å; V310-A369 HydrophobicContact CG2-CB 4.16Å; V310-S373 PolarHBondContact N-O 2.83Å; V310-V374 HydrophobicContact CB-CG2 4.32Å; V310-V374 CarbonylContact O-C 3.54Å; V310-V374 WeakPolarHBondContact O-CA 3.27Å; V310-Q375 PolarHBondContact O-N 3.3Å |
| 311 | S | 98.5 | Very high | 96.1 | Very high | 20 Ų | 20 | 32 Ų | 32 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.3 | 169.8 | -163.3 | 0 | 0 | 0 | 0 | 109 | I291 D292 V293 Q375 | I291-S311 PolarHBondContact O-N 3.01Å; D292-S311 WeakPolarHBondContact CA-O 3.5Å; V293-S311 PolarHBondContact N-O 2.94Å; S311-Q375 WeakPolarHBondContact CA-O 3.21Å; S311-Q375 PolarHBondContact OG-OE1 2.83Å |
| 312 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.5 | 177.3 | -166.8 | 0 | 0 | 0 | 0 | 109.1 | V293 V295 L303 V310 V314 V365 A367 Q375 L376 R377 | V293-V312 WeakPolarHBondContact O-CA 3.32Å; V295-V312 HydrophobicContact CG2-CG1 4.01Å; L303-V312 HydrophobicContact CD1-CG2 3.71Å; V310-V312 HydrophobicContact CG1-CG2 3.92Å; V312-V314 HydrophobicContact CG1-CG1 4.03Å; V312-V365 HydrophobicContact CG1-CG1 3.82Å; V312-A367 HydrophobicContact CG2-CB 3.94Å; V312-Q375 PolarHBondContact N-O 2.87Å; V312-L376 HydrophobicContact CB-CD1 3.92Å; V312-L376 HydrophobicContact CG1-CD1 4.1Å; V312-R377 PolarHBondContact O-N 3.25Å |
| 313 | R | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 32 Ų | 32 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.1 | 178 | -54.9 | 178 | -70.8 | 148.9 | -15.1 | 108 | V275 D276 D292 V293 Y294 V295 R377 Q379 | V275-R313 PolarHBondContact O-NH2 3.28Å; D276-R313 IonicContact OD1-NH2 2.86Å; D276-R313 PolarHBondContact OD1-NH2 3.06Å; D276-R313 VanDerWaalsContact OD1-NH2 3.12Å; D292-R313 VanDerWaalsContact OD1-CD 3.32Å; D292-R313 WeakPolarHBondContact OD1-CD 3.38Å; D292-R313 IonicContact OD1-CZ 2.84Å; D292-R313 IonicContact OD1-NE 2.66Å; D292-R313 PolarHBondContact OD1-NE 3.04Å; D292-R313 IonicContact OD1-NH2 3.3Å; D292-R313 IonicContact OD2-NE 3.44Å; V293-R313 PolarHBondContact O-N 2.89Å; Y294-R313 CarbonylContact C-O 3.46Å; Y294-R313 VanDerWaalsContact CA-O 3.26Å; Y294-R313 WeakPolarHBondContact CA-O 3.42Å; Y294-R313 HydrophobicContact CD2-CB 3.85Å; Y294-R313 HydrophobicContact CG-CB 4.45Å; V295-R313 PolarHBondContact N-O 2.86Å; R313-R377 WeakPolarHBondContact CA-O 3.37Å; R313-R377 HydrophobicContact CG-CG 4.12Å; R313-Q379 HydrophobicContact CB-CB 4.23Å |
| 314 | V | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149.4 | -178.1 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | V295 V312 L318 M355 L376 R377 T378 Q379 | V295-V314 HydrophobicContact CB-CG1 4.32Å; V312-V314 HydrophobicContact CG1-CG1 4.03Å; V314-L318 HydrophobicContact CB-CB 4.5Å; V314-L318 HydrophobicContact CB-CD2 3.81Å; V314-L318 HydrophobicContact CG1-CD2 3.61Å; V314-M355 HydrophobicContact CG2-SD 4.09Å; V314-L376 HydrophobicContact CG1-CD1 3.94Å; V314-L376 HydrophobicContact CG2-CD1 4.03Å; V314-R377 PolarHBondContact N-O 2.82Å; V314-T378 CarbonylContact O-C 3.55Å; V314-T378 VanDerWaalsContact O-CA 3.22Å; V314-T378 WeakPolarHBondContact O-CA 3.33Å; V314-Q379 PolarHBondContact O-N 2.98Å |
| 315 | P | 93.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.065 | 16% | 0.16 | C | C | . | . | trans | -72.3 | 153.7 | 167.3 | 31.6 | -33.1 | 0 | 0 | 0 | 110.1 | V295 D297 S317 L318 | V295-P315 WeakPolarHBondContact O-CD 3.06Å; D297-P315 WeakPolarHBondContact OD1-CG 3.39Å; P315-S317 PolarHBondContact O-N 2.89Å; P315-L318 HydrophobicContact CG-CB 4.03Å; P315-L318 WeakPolarHBondContact O-CB 3.47Å; P315-L318 PolarHBondContact O-N 2.91Å; P315-L318 VanDerWaalsContact O-N 3.15Å | ||
| 316 | S | 89.8 | Confident | 95.8 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 61% | 0.608 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.4 | 176.4 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | L318 S356 | S316-L318 VanDerWaalsContact C-N 3.35Å; S316-S356 PolarHBondContact O-OG 3.44Å |
| 317 | S | 89.6 | Confident | 95.8 | Very high | 63 Ų | 63 | 27.6 Ų | 27.6 | 44% | 0.441 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -12.1 | 176.7 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | D297 P315 R319 | D297-S317 VanDerWaalsContact CG-OG 3.31Å; D297-S317 WeakPolarHBondContact OD1-CB 3.12Å; D297-S317 PolarHBondContact OD1-OG 2.83Å; D297-S317 PolarHBondContact OD2-OG 2.88Å; P315-S317 PolarHBondContact O-N 2.89Å; S317-R319 WeakPolarHBondContact O-CG 3.41Å; S317-R319 PolarHBondContact O-N 3.1Å |
| 318 | L | 91.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | trans | -65.2 | 125.4 | -176.2 | -178.7 | 61.5 | 0 | 0 | 0 | 111.2 | V295 G296 V314 P315 S316 A320 M355 S356 V365 | V295-L318 HydrophobicContact CG1-CD2 4.29Å; G296-L318 WeakPolarHBondContact O-CD1 3.48Å; V314-L318 HydrophobicContact CB-CB 4.5Å; V314-L318 HydrophobicContact CB-CD2 3.81Å; V314-L318 HydrophobicContact CG1-CD2 3.61Å; P315-L318 HydrophobicContact CG-CB 4.03Å; P315-L318 WeakPolarHBondContact O-CB 3.47Å; P315-L318 PolarHBondContact O-N 2.91Å; P315-L318 VanDerWaalsContact O-N 3.15Å; S316-L318 VanDerWaalsContact C-N 3.35Å; L318-A320 HydrophobicContact CD1-CB 4.33Å; L318-A320 HydrophobicContact CD2-CB 4.45Å; L318-A320 HydrophobicContact CG-CB 4.13Å; L318-M355 HydrophobicContact CB-CE 4.45Å; L318-M355 HydrophobicContact CD2-CE 3.46Å; L318-M355 VanDerWaalsContact CD2-CE 3.46Å; L318-M355 HydrophobicContact CG-CE 3.81Å; L318-M355 WeakPolarHBondContact O-CB 3.4Å; L318-S356 WeakPolarHBondContact O-CB 3.28Å; L318-V365 HydrophobicContact CD2-CG2 4.19Å | ||
| 319 | R | 91.5 | Very high | 95.8 | Very high | 139 Ų | 139 | 26.4 Ų | 26.4 | 53% | 0.525 | 16% | 0.158 | S | C | . | . | trans | -109.7 | 95.4 | 176.9 | -48.3 | -177.8 | 94.7 | -159.5 | 7.8 | 109.4 | S317 M355 S356 Q363 | S317-R319 WeakPolarHBondContact O-CG 3.41Å; S317-R319 PolarHBondContact O-N 3.1Å; R319-M355 WeakPolarHBondContact CA-O 3.29Å; R319-S356 PolarHBondContact NE-O 3.2Å; R319-S356 PolarHBondContact NH2-O 2.86Å; R319-Q363 PolarHBondContact O-OE1 2.86Å; R319-Q363 VanDerWaalsContact O-OE1 3.1Å | ||
| 320 | A | 93.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -149.3 | 151.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L318 M355 Q363 V365 | L318-A320 HydrophobicContact CD1-CB 4.33Å; L318-A320 HydrophobicContact CD2-CB 4.45Å; L318-A320 HydrophobicContact CG-CB 4.13Å; A320-M355 HydrophobicContact CB-CE 3.8Å; A320-M355 PolarHBondContact O-N 2.86Å; A320-Q363 WeakPolarHBondContact CA-O 3.36Å; A320-Q363 HydrophobicContact CB-CB 4.26Å; A320-V365 HydrophobicContact CB-CG2 4.4Å | ||
| 321 | G | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 144.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | Q363 W364 V365 | G321-Q363 PolarHBondContact N-O 2.89Å; G321-W364 CarbonylContact O-C 3.53Å; G321-W364 VanDerWaalsContact O-CA 3.31Å; G321-W364 WeakPolarHBondContact O-CA 3.32Å; G321-V365 PolarHBondContact O-N 2.9Å |
| 322 | V | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.2 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | L337 L351 T352 G353 M355 V365 L376 | V322-L337 HydrophobicContact CG1-CD2 4.5Å; V322-L337 HydrophobicContact CG2-CD1 4.41Å; V322-L337 HydrophobicContact CG2-CD2 3.86Å; V322-L351 HydrophobicContact CG2-CD2 3.97Å; V322-T352 VanDerWaalsContact O-CA 3.29Å; V322-T352 WeakPolarHBondContact O-CA 3.47Å; V322-G353 WeakPolarHBondContact CG2-O 3.24Å; V322-G353 PolarHBondContact N-O 3.24Å; V322-G353 PolarHBondContact O-N 2.93Å; V322-M355 HydrophobicContact CG1-CE 3.6Å; V322-M355 HydrophobicContact CG1-CG 3.77Å; V322-M355 HydrophobicContact CG1-SD 3.69Å; V322-V365 WeakPolarHBondContact CA-O 3.35Å; V322-V365 HydrophobicContact CG1-CB 4.38Å; V322-L376 HydrophobicContact CG1-CD2 4.23Å |
| 323 | N | 97.2 | Very high | 95 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 104.1 | 168.9 | -176.2 | -27.1 | 0 | 0 | 0 | 108.1 | L351 T352 W364 V365 K366 A367 | N323-L351 WeakPolarHBondContact CA-O 3.34Å; N323-T352 HydrophobicContact CB-CG2 4.37Å; N323-W364 HydrophobicContact CB-CZ3 4.44Å; N323-V365 PolarHBondContact N-O 2.86Å; N323-K366 HydrophobicContact CB-CG 4.32Å; N323-K366 CarbonylContact O-C 3.57Å; N323-K366 WeakPolarHBondContact O-CA 3.31Å; N323-A367 PolarHBondContact O-N 2.97Å |
| 324 | L | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.9 | -175.9 | -48.6 | -179.4 | 0 | 0 | 0 | 108.8 | V329 V331 T350 L351 A367 V374 L376 | L324-V329 HydrophobicContact CB-CG1 3.81Å; L324-V329 HydrophobicContact CB-CG2 4.46Å; L324-V329 HydrophobicContact CD1-CG1 3.89Å; L324-V331 HydrophobicContact CD1-CG2 4.13Å; L324-T350 CarbonylContact O-C 3.52Å; L324-T350 VanDerWaalsContact O-CA 3.29Å; L324-T350 WeakPolarHBondContact O-CA 3.37Å; L324-L351 HydrophobicContact CB-CB 4.37Å; L324-L351 HydrophobicContact CD1-CD2 4.12Å; L324-L351 HydrophobicContact CG-CD2 4.38Å; L324-L351 PolarHBondContact N-O 3.16Å; L324-L351 PolarHBondContact O-N 2.81Å; L324-A367 CarbonylContact C-O 3.23Å; L324-A367 WeakPolarHBondContact CA-O 3.33Å; L324-A367 HydrophobicContact CD2-CB 3.88Å; L324-V374 HydrophobicContact CB-CG1 4.03Å; L324-V374 HydrophobicContact CD2-CG1 4.1Å; L324-V374 HydrophobicContact CG-CG1 4.43Å; L324-L376 HydrophobicContact CD1-CB 3.86Å; L324-L376 HydrophobicContact CD1-CD2 4.03Å |
| 325 | C | 98.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127 | -179.4 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | Q348 T349 A367 R368 A369 V374 | C325-Q348 PolarHBondContact SG-OE1 2.79Å; C325-T349 WeakPolarHBondContact CA-O 3.36Å; C325-A367 PolarHBondContact N-O 2.83Å; C325-R368 HydrophobicContact CB-CG 4.28Å; C325-R368 CarbonylContact O-C 3.52Å; C325-R368 VanDerWaalsContact O-CA 3.25Å; C325-R368 WeakPolarHBondContact O-CA 3.26Å; C325-A369 PolarHBondContact O-N 2.91Å; C325-V374 WeakPolarHBondContact O-CG2 3.36Å |
| 326 | G | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -177.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A328 T349 A369 | G326-A328 PolarHBondContact O-N 2.86Å; G326-T349 PolarHBondContact N-O 2.83Å; G326-T349 PolarHBondContact O-N 3.2Å; G326-A369 WeakPolarHBondContact CA-O 3.45Å |
| 327 | V | 97.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | -39.7 | 177.5 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | G372 | V327-G372 WeakPolarHBondContact CB-O 3.44Å; V327-G372 PolarHBondContact N-O 2.86Å |
| 328 | A | 97.1 | Very high | 94.3 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 31% | 0.314 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G326 S373 V374 | G326-A328 PolarHBondContact O-N 2.86Å; A328-S373 CarbonylContact O-C 3.5Å; A328-S373 VanDerWaalsContact O-CA 3.27Å; A328-S373 WeakPolarHBondContact O-CA 3.26Å; A328-V374 PolarHBondContact O-N 3.47Å |
| 329 | V | 97.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.6 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | L324 V331 T349 L351 V374 | L324-V329 HydrophobicContact CB-CG1 3.81Å; L324-V329 HydrophobicContact CB-CG2 4.46Å; L324-V329 HydrophobicContact CD1-CG1 3.89Å; V329-V331 HydrophobicContact CG1-CG2 4.5Å; V329-T349 HydrophobicContact CB-CG2 4.1Å; V329-T349 HydrophobicContact CG2-CG2 4.06Å; V329-T349 WeakPolarHBondContact CG2-O 3.2Å; V329-L351 HydrophobicContact CG1-CB 3.96Å; V329-L351 HydrophobicContact CG1-CD1 4.29Å; V329-V374 WeakPolarHBondContact CA-O 3.19Å; V329-V374 HydrophobicContact CG2-CB 4.45Å |
| 330 | N | 97.1 | Very high | 94.2 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.5 | -178.1 | -63.6 | -43.3 | 0 | 0 | 0 | 110 | V374 Q375 L376 | N330-V374 PolarHBondContact N-O 3.05Å; N330-Q375 HydrophobicContact CB-CG 4.49Å; N330-Q375 CarbonylContact O-C 3.48Å; N330-Q375 VanDerWaalsContact O-CA 3.27Å; N330-Q375 WeakPolarHBondContact O-CA 3.5Å; N330-L376 PolarHBondContact O-N 3.16Å |
| 331 | V | 96.6 | Very high | 94.2 | Very high | 39 Ų | 39 | 58 Ų | 58 | 24% | 0.236 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.6 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | L324 V329 V335 L337 L351 L376 | L324-V331 HydrophobicContact CD1-CG2 4.13Å; V329-V331 HydrophobicContact CG1-CG2 4.5Å; V331-V335 HydrophobicContact CG1-CB 3.71Å; V331-V335 HydrophobicContact CG1-CG1 3.96Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; V331-L337 HydrophobicContact CG1-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CD1 4.2Å; V331-L351 HydrophobicContact CG2-CD1 3.84Å; V331-L376 HydrophobicContact CG1-CD2 4.43Å; V331-L376 HydrophobicContact CG2-CB 4.36Å |
| 332 | S | 94.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | trans | -70.6 | 143.9 | -179.4 | -48 | 0 | 0 | 0 | 0 | 110.1 | E334 V335 L376 R377 | S332-E334 WeakPolarHBondContact CB-OE2 3.37Å; S332-E334 PolarHBondContact O-N 2.97Å; S332-V335 WeakPolarHBondContact O-CB 3.45Å; S332-V335 PolarHBondContact O-N 2.8Å; S332-L376 PolarHBondContact N-O 2.92Å; S332-L376 PolarHBondContact OG-O 3.35Å; S332-R377 WeakPolarHBondContact OG-CA 3.25Å; S332-R377 WeakPolarHBondContact OG-CB 3.27Å | ||
| 333 | P | 89.3 | Confident | 94.2 | Very high | 117 Ų | 117 | 73.2 Ų | 73.2 | 76% | 0.76 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.3 | -174.2 | -24.8 | 34.6 | 0 | 0 | 0 | 114.9 | V335 | P333-V335 PolarHBondContact O-N 2.91Š|
| 334 | E | 90 | Very high | 94.1 | Very high | 127 Ų | 127 | 75 Ų | 75 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.2 | 178.6 | -53.9 | 77.3 | -167.4 | 0 | 0 | 112.6 | S332 L336 | S332-E334 WeakPolarHBondContact CB-OE2 3.37Å; S332-E334 PolarHBondContact O-N 2.97Å; E334-L336 PolarHBondContact O-N 2.79Å |
| 335 | V | 91.1 | Very high | 93.8 | Very high | 16 Ų | 16 | 76.8 Ų | 76.8 | 10% | 0.097 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -87.4 | 107.7 | 178.5 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | V331 S332 P333 L337 M355 L376 T378 | V331-V335 HydrophobicContact CG1-CB 3.71Å; V331-V335 HydrophobicContact CG1-CG1 3.96Å; V331-V335 HydrophobicContact CG1-CG2 4.37Å; S332-V335 WeakPolarHBondContact O-CB 3.45Å; S332-V335 PolarHBondContact O-N 2.8Å; P333-V335 PolarHBondContact O-N 2.91Å; V335-L337 HydrophobicContact CG1-CD2 4.07Å; V335-L337 HydrophobicContact CG1-CG 4.26Å; V335-L337 PolarHBondContact O-N 2.88Å; V335-M355 HydrophobicContact CG1-CG 4.34Å; V335-M355 HydrophobicContact CG1-SD 4.29Å; V335-L376 HydrophobicContact CG1-CD2 3.88Å; V335-L376 HydrophobicContact CG1-CG 4.28Å; V335-L376 HydrophobicContact CG2-CG 4.39Å; V335-T378 WeakPolarHBondContact CG2-OG1 3.39Å |
| 336 | L | 89.1 | Confident | 93.4 | Very high | 122 Ų | 122 | 84.1 Ų | 84.1 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | trans | -86 | 109.9 | 178.2 | -59 | 179.6 | 0 | 0 | 0 | 111 | E334 | E334-L336 PolarHBondContact O-N 2.79Š| ||
| 337 | L | 91.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 87 Ų | 87 | 17% | 0.168 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.3 | 175.9 | -62.4 | -179.7 | 0 | 0 | 0 | 111.4 | V322 V331 V335 L351 C354 M355 | V322-L337 HydrophobicContact CG1-CD2 4.5Å; V322-L337 HydrophobicContact CG2-CD1 4.41Å; V322-L337 HydrophobicContact CG2-CD2 3.86Å; V331-L337 HydrophobicContact CG1-CD1 4.05Å; V331-L337 HydrophobicContact CG2-CD1 4.2Å; V335-L337 HydrophobicContact CG1-CD2 4.07Å; V335-L337 HydrophobicContact CG1-CG 4.26Å; V335-L337 PolarHBondContact O-N 2.88Å; L337-L351 HydrophobicContact CD1-CD1 4.41Å; L337-L351 HydrophobicContact CD1-CD2 3.73Å; L337-C354 WeakPolarHBondContact CA-O 3.28Å; L337-M355 HydrophobicContact CD2-CG 3.5Å; L337-M355 VanDerWaalsContact CD2-CG 3.5Å |
| 338 | H | 89.6 | Confident | 93 | Very high | 93 Ų | 93 | 85.8 Ų | 85.8 | 43% | 0.431 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 152.3 | 170.9 | -55.8 | 75.1 | 0 | 0 | 0 | 109 | E340 G353 C354 | H338-E340 PolarHBondContact O-N 3.01Å; H338-G353 CarbonylContact O-C 3.56Å; H338-G353 WeakPolarHBondContact O-CA 3.35Å; H338-C354 PolarHBondContact N-O 2.79Å; H338-C354 PolarHBondContact ND1-O 2.98Å; H338-C354 PolarHBondContact O-N 2.78Å |
| 339 | D | 89 | Confident | 93 | Very high | 135 Ų | 135 | 84.8 Ų | 84.8 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52 | 38.1 | -179.4 | -55.4 | -45 | 0 | 0 | 0 | 113.3 | Q341 | D339-Q341 PolarHBondContact O-N 2.9Å |
| 340 | E | 91.9 | Very high | 93 | Very high | 92 Ų | 92 | 87 Ų | 87 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 123.9 | -179.2 | -175 | -177.5 | 166.5 | 0 | 0 | 110.5 | H338 R342 L351 T352 | H338-E340 PolarHBondContact O-N 3.01Å; E340-R342 IonicContact OE1-CZ 3.82Å; E340-R342 IonicContact OE1-NE 3.43Å; E340-R342 PolarHBondContact OE1-NE 2.86Å; E340-R342 IonicContact OE1-NH2 2.75Å; E340-R342 PolarHBondContact OE1-NH2 3.46Å; E340-L351 HydrophobicContact CG-CD1 4.23Å; E340-L351 HydrophobicContact CG-CG 4.29Å; E340-L351 VanDerWaalsContact OE1-CD1 3.29Å; E340-L351 WeakPolarHBondContact OE1-CD1 3.41Å; E340-T352 WeakPolarHBondContact CA-O 3.49Å |
| 341 | Q | 93.6 | Very high | 93 | Very high | 139 Ų | 139 | 82.7 Ų | 82.7 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 121.7 | 168.2 | -61.5 | 179 | 4 | 0 | 0 | 108.6 | D339 L351 T352 | D339-Q341 PolarHBondContact O-N 2.9Å; Q341-L351 WeakPolarHBondContact O-CA 3.33Å; Q341-T352 PolarHBondContact N-O 2.87Å; Q341-T352 PolarHBondContact O-N 2.86Å |
| 342 | R | 95.9 | Very high | 92.9 | Very high | 133 Ų | 133 | 82.7 Ų | 82.7 | 50% | 0.502 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.8 | 177.7 | -170.7 | 178.6 | -61.3 | -149.5 | 0 | 109.7 | E340 T349 T350 L351 | E340-R342 IonicContact OE1-CZ 3.82Å; E340-R342 IonicContact OE1-NE 3.43Å; E340-R342 PolarHBondContact OE1-NE 2.86Å; E340-R342 IonicContact OE1-NH2 2.75Å; E340-R342 PolarHBondContact OE1-NH2 3.46Å; R342-T349 HydrophobicContact CG-CG2 4.04Å; R342-T350 WeakPolarHBondContact CA-O 3.14Å; R342-L351 VanDerWaalsContact NH2-CD1 3.32Å |
| 343 | R | 95.3 | Very high | 92.9 | Very high | 186 Ų | 186 | 82.1 Ų | 82.1 | 70% | 0.702 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.3 | 178.1 | -176.3 | 177.2 | 177.4 | -174.4 | -2.4 | 109.8 | T349 T350 | R343-T349 WeakPolarHBondContact O-CA 3.38Å; R343-T350 PolarHBondContact N-O 2.83Å; R343-T350 PolarHBondContact O-N 3.47Å |
| 344 | T | 94.5 | Very high | 93 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 60% | 0.601 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.9 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 108.7 | Q348 T349 | T344-Q348 CarbonylContact C-O 3.55Å; T344-Q348 VanDerWaalsContact CA-O 3.28Å; T344-Q348 WeakPolarHBondContact CA-O 3.43Å; T344-T349 PolarHBondContact OG1-OG1 2.9Å |
| 345 | A | 92.4 | Very high | 93.1 | Very high | 38 Ų | 38 | 72 Ų | 72 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 144 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G347 Q348 | A345-G347 PolarHBondContact O-N 2.83Å; A345-G347 VanDerWaalsContact O-N 3.12Å; A345-Q348 PolarHBondContact N-O 2.86Å; A345-Q348 PolarHBondContact O-N 2.86Å |
| 346 | D | 90.6 | Very high | 92.5 | Very high | 164 Ų | 164 | 73.4 Ų | 73.4 | 88% | 0.877 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.9 | 174.6 | -52.1 | -38.5 | 0 | 0 | 0 | 114.7 | Q348 | D346-Q348 PolarHBondContact O-N 2.9Š|
| 347 | G | 90.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 6.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | A345 | A345-G347 PolarHBondContact O-N 2.83Å; A345-G347 VanDerWaalsContact O-N 3.12Å |
| 348 | Q | 95 | Very high | 90.4 | Very high | 55 Ų | 55 | 75.4 Ų | 75.4 | 26% | 0.257 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.9 | 173.2 | -69.6 | -179.7 | 38.5 | 0 | 0 | 110.8 | C325 T344 A345 D346 | C325-Q348 PolarHBondContact SG-OE1 2.79Å; T344-Q348 CarbonylContact C-O 3.55Å; T344-Q348 VanDerWaalsContact CA-O 3.28Å; T344-Q348 WeakPolarHBondContact CA-O 3.43Å; A345-Q348 PolarHBondContact N-O 2.86Å; A345-Q348 PolarHBondContact O-N 2.86Å; D346-Q348 PolarHBondContact O-N 2.9Å |
| 349 | T | 97.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 11% | 0.11 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.5 | 170.1 | -60.8 | 0 | 0 | 0 | 0 | 108.4 | C325 G326 V329 R342 R343 T344 | C325-T349 WeakPolarHBondContact CA-O 3.36Å; G326-T349 PolarHBondContact N-O 2.83Å; G326-T349 PolarHBondContact O-N 3.2Å; V329-T349 HydrophobicContact CB-CG2 4.1Å; V329-T349 HydrophobicContact CG2-CG2 4.06Å; V329-T349 WeakPolarHBondContact CG2-O 3.2Å; R342-T349 HydrophobicContact CG-CG2 4.04Å; R343-T349 WeakPolarHBondContact O-CA 3.38Å; T344-T349 PolarHBondContact OG1-OG1 2.9Å |
| 350 | T | 97.3 | Very high | 88.6 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.8 | 172.1 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | L324 R342 R343 | L324-T350 CarbonylContact O-C 3.52Å; L324-T350 VanDerWaalsContact O-CA 3.29Å; L324-T350 WeakPolarHBondContact O-CA 3.37Å; R342-T350 WeakPolarHBondContact CA-O 3.14Å; R343-T350 PolarHBondContact N-O 2.83Å; R343-T350 PolarHBondContact O-N 3.47Å |
| 351 | L | 97.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.8 | 174 | -178.4 | 150.8 | 0 | 0 | 0 | 109.4 | V322 N323 L324 V329 V331 L337 E340 Q341 R342 | V322-L351 HydrophobicContact CG2-CD2 3.97Å; N323-L351 WeakPolarHBondContact CA-O 3.34Å; L324-L351 HydrophobicContact CB-CB 4.37Å; L324-L351 HydrophobicContact CD1-CD2 4.12Å; L324-L351 HydrophobicContact CG-CD2 4.38Å; L324-L351 PolarHBondContact N-O 3.16Å; L324-L351 PolarHBondContact O-N 2.81Å; V329-L351 HydrophobicContact CG1-CB 3.96Å; V329-L351 HydrophobicContact CG1-CD1 4.29Å; V331-L351 HydrophobicContact CG2-CD1 3.84Å; L337-L351 HydrophobicContact CD1-CD1 4.41Å; L337-L351 HydrophobicContact CD1-CD2 3.73Å; E340-L351 HydrophobicContact CG-CD1 4.23Å; E340-L351 HydrophobicContact CG-CG 4.29Å; E340-L351 VanDerWaalsContact OE1-CD1 3.29Å; E340-L351 WeakPolarHBondContact OE1-CD1 3.41Å; Q341-L351 WeakPolarHBondContact O-CA 3.33Å; R342-L351 VanDerWaalsContact NH2-CD1 3.32Å |
| 352 | T | 96 | Very high | 86.8 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 150.6 | 170.3 | 56 | 0 | 0 | 0 | 0 | 110.6 | V322 N323 E340 Q341 | V322-T352 VanDerWaalsContact O-CA 3.29Å; V322-T352 WeakPolarHBondContact O-CA 3.47Å; N323-T352 HydrophobicContact CB-CG2 4.37Å; E340-T352 WeakPolarHBondContact CA-O 3.49Å; Q341-T352 PolarHBondContact N-O 2.87Å; Q341-T352 PolarHBondContact O-N 2.86Å |
| 353 | G | 94 | Very high | 86.6 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | -170.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V322 H338 | V322-G353 WeakPolarHBondContact CG2-O 3.24Å; V322-G353 PolarHBondContact N-O 3.24Å; V322-G353 PolarHBondContact O-N 2.93Å; H338-G353 CarbonylContact O-C 3.56Å; H338-G353 WeakPolarHBondContact O-CA 3.35Å |
| 354 | C | 91.9 | Very high | 86.6 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.6 | -179.9 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | L337 H338 | L337-C354 WeakPolarHBondContact CA-O 3.28Å; H338-C354 PolarHBondContact N-O 2.79Å; H338-C354 PolarHBondContact ND1-O 2.98Å; H338-C354 PolarHBondContact O-N 2.78Å |
| 355 | M | 90.8 | Very high | 86.7 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.02 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 136 | 173.9 | -66.5 | 179.7 | -56.7 | 0 | 0 | 111.1 | V314 L318 R319 A320 V322 V335 L337 G357 V365 L376 | V314-M355 HydrophobicContact CG2-SD 4.09Å; L318-M355 HydrophobicContact CB-CE 4.45Å; L318-M355 HydrophobicContact CD2-CE 3.46Å; L318-M355 VanDerWaalsContact CD2-CE 3.46Å; L318-M355 HydrophobicContact CG-CE 3.81Å; L318-M355 WeakPolarHBondContact O-CB 3.4Å; R319-M355 WeakPolarHBondContact CA-O 3.29Å; A320-M355 HydrophobicContact CB-CE 3.8Å; A320-M355 PolarHBondContact O-N 2.86Å; V322-M355 HydrophobicContact CG1-CE 3.6Å; V322-M355 HydrophobicContact CG1-CG 3.77Å; V322-M355 HydrophobicContact CG1-SD 3.69Å; V335-M355 HydrophobicContact CG1-CG 4.34Å; V335-M355 HydrophobicContact CG1-SD 4.29Å; L337-M355 HydrophobicContact CD2-CG 3.5Å; L337-M355 VanDerWaalsContact CD2-CG 3.5Å; M355-G357 VanDerWaalsContact C-N 3.27Å; M355-G357 PolarHBondContact O-N 2.93Å; M355-V365 HydrophobicContact CE-CG2 4.17Å; M355-L376 HydrophobicContact SD-CD2 4.1Å |
| 356 | S | 77.9 | Confident | 87 | Confident | 47 Ų | 47 | 60.3 Ų | 60.3 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 52.5 | 30.2 | 166 | -58 | 0 | 0 | 0 | 0 | 117.3 | S316 L318 R319 | S316-S356 PolarHBondContact O-OG 3.44Å; L318-S356 WeakPolarHBondContact O-CB 3.28Å; R319-S356 PolarHBondContact NE-O 3.2Å; R319-S356 PolarHBondContact NH2-O 2.86Å |
| 357 | G | 69.1 | Low | 87.3 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 114.9 | -166.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M355 P359 | M355-G357 VanDerWaalsContact C-N 3.27Å; M355-G357 PolarHBondContact O-N 2.93Å; G357-P359 WeakPolarHBondContact O-CD 3.36Å |
| 358 | E | 68.1 | Low | 87.7 | Confident | 174 Ų | 174 | 55.2 Ų | 55.2 | 81% | 0.813 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -64.2 | 123.3 | 177.3 | -74.3 | -171.6 | 163.7 | 0 | 0 | 110.7 | ||
| 359 | P | 68.5 | Low | 87.9 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 152.3 | 178.9 | 30.1 | -34.2 | 0 | 0 | 0 | 110.7 | G357 | G357-P359 WeakPolarHBondContact O-CD 3.36Š|
| 360 | A | 71.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 143.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | D362 Q363 | A360-D362 PolarHBondContact O-N 3.19Å; A360-Q363 HydrophobicContact CB-CB 4.43Å; A360-Q363 HydrophobicContact CB-CG 4.15Å; A360-Q363 PolarHBondContact O-N 3.03Å |
| 361 | V | 67.6 | Low | 87.9 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 78% | 0.782 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -31 | -168.1 | 178.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 362 | D | 80.4 | Confident | 87.9 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.1 | 8.6 | -174.3 | -58.5 | -42.2 | 0 | 0 | 0 | 115.2 | T300 A360 | T300-D362 PolarHBondContact OG1-O 3.39Å; A360-D362 PolarHBondContact O-N 3.19Å |
| 363 | Q | 91.6 | Very high | 88 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | trans | -94 | 106.5 | -179.3 | -76.2 | -179.2 | 2 | 0 | 0 | 112 | R319 A320 G321 A360 | R319-Q363 PolarHBondContact O-OE1 2.86Å; R319-Q363 VanDerWaalsContact O-OE1 3.1Å; A320-Q363 WeakPolarHBondContact CA-O 3.36Å; A320-Q363 HydrophobicContact CB-CB 4.26Å; G321-Q363 PolarHBondContact N-O 2.89Å; A360-Q363 HydrophobicContact CB-CB 4.43Å; A360-Q363 HydrophobicContact CB-CG 4.15Å; A360-Q363 PolarHBondContact O-N 3.03Å | ||
| 364 | W | 95.1 | Very high | 88.2 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.7 | -175.9 | -74.4 | 79.6 | 0 | 0 | 0 | 112.7 | T300 A301 G321 N323 K366 | T300-W364 CarbonylContact C-O 3.57Å; T300-W364 WeakPolarHBondContact CA-O 3.33Å; T300-W364 VanDerWaalsContact CG2-O 3.26Å; T300-W364 WeakPolarHBondContact CG2-O 3.36Å; A301-W364 PolarHBondContact N-O 2.67Å; G321-W364 CarbonylContact O-C 3.53Å; G321-W364 VanDerWaalsContact O-CA 3.31Å; G321-W364 WeakPolarHBondContact O-CA 3.32Å; N323-W364 HydrophobicContact CB-CZ3 4.44Å; W364-K366 HydrophobicContact CB-CG 4.29Å |
| 365 | V | 97.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 103.2 | 165.9 | 177.4 | 0 | 0 | 0 | 0 | 107.6 | V295 V312 L318 A320 G321 V322 N323 M355 | V295-V365 HydrophobicContact CG1-CG2 4.31Å; V312-V365 HydrophobicContact CG1-CG1 3.82Å; L318-V365 HydrophobicContact CD2-CG2 4.19Å; A320-V365 HydrophobicContact CB-CG2 4.4Å; G321-V365 PolarHBondContact O-N 2.9Å; V322-V365 WeakPolarHBondContact CA-O 3.35Å; V322-V365 HydrophobicContact CG1-CB 4.38Å; N323-V365 PolarHBondContact N-O 2.86Å; M355-V365 HydrophobicContact CE-CG2 4.17Å |
| 366 | K | 98.3 | Very high | 88.8 | Confident | 98 Ų | 98 | 63 Ų | 63 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.9 | 176.3 | -58.4 | -178.8 | -176.4 | 173.1 | 0 | 108.4 | A301 L303 N323 W364 | A301-K366 PolarHBondContact O-N 3.44Å; L303-K366 PolarHBondContact N-O 2.85Å; N323-K366 HydrophobicContact CB-CG 4.32Å; N323-K366 CarbonylContact O-C 3.57Å; N323-K366 WeakPolarHBondContact O-CA 3.31Å; W364-K366 HydrophobicContact CB-CG 4.29Å |
| 367 | A | 98.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 125.9 | 180 | 0 | 0 | 0 | 0 | 0 | 110.6 | L303 V310 V312 N323 L324 C325 V374 | L303-A367 HydrophobicContact CB-CB 4.35Å; L303-A367 HydrophobicContact CD1-CB 4.5Å; L303-A367 CarbonylContact O-C 3.59Å; L303-A367 WeakPolarHBondContact O-CA 3.38Å; V310-A367 HydrophobicContact CG1-CB 3.95Å; V312-A367 HydrophobicContact CG2-CB 3.94Å; N323-A367 PolarHBondContact O-N 2.97Å; L324-A367 CarbonylContact C-O 3.23Å; L324-A367 WeakPolarHBondContact CA-O 3.33Å; L324-A367 HydrophobicContact CD2-CB 3.88Å; C325-A367 PolarHBondContact N-O 2.83Å; A367-V374 HydrophobicContact CB-CG1 3.82Å |
| 368 | R | 98.5 | Very high | 90.8 | Very high | 116 Ų | 116 | 65.8 Ų | 65.8 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.1 | -176.6 | -176 | 174.5 | 175.5 | 145.5 | 4.1 | 111.9 | L303 H304 T305 C325 D370 | L303-R368 PolarHBondContact O-N 2.9Å; H304-R368 CarbonylContact C-O 3.58Å; H304-R368 WeakPolarHBondContact CA-O 3.39Å; T305-R368 PolarHBondContact N-O 2.94Å; C325-R368 HydrophobicContact CB-CG 4.28Å; C325-R368 CarbonylContact O-C 3.52Å; C325-R368 VanDerWaalsContact O-CA 3.25Å; C325-R368 WeakPolarHBondContact O-CA 3.26Å; R368-D370 IonicContact CZ-OD1 3.32Å; R368-D370 VanDerWaalsContact CZ-OD1 3.32Å; R368-D370 IonicContact NE-OD1 2.72Å; R368-D370 PolarHBondContact NE-OD1 2.85Å; R368-D370 IonicContact NH2-OD1 3.03Å; R368-D370 PolarHBondContact NH2-OD1 2.79Å |
| 369 | A | 98.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 101.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T305 G308 V310 C325 G326 R371 V374 | T305-A369 HydrophobicContact CG2-CB 4.09Å; T305-A369 WeakPolarHBondContact O-CA 3.29Å; G308-A369 WeakPolarHBondContact O-CB 3.49Å; V310-A369 HydrophobicContact CG2-CB 4.16Å; C325-A369 PolarHBondContact O-N 2.91Å; G326-A369 WeakPolarHBondContact CA-O 3.45Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.19Å; A369-V374 HydrophobicContact CB-CG2 3.85Å |
| 370 | D | 97.7 | Very high | 92.4 | Very high | 38 Ų | 38 | 59.3 Ų | 59.3 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -38.1 | -170.4 | -68.1 | -40.8 | 0 | 0 | 0 | 112.9 | H304 T305 R306 R368 | H304-D370 IonicContact CD2-OD2 3.95Å; H304-D370 IonicContact CE1-OD2 3.65Å; H304-D370 IonicContact NE2-OD1 3.8Å; H304-D370 IonicContact NE2-OD2 2.86Å; H304-D370 PolarHBondContact NE2-OD2 2.85Å; T305-D370 PolarHBondContact O-N 3.23Å; R306-D370 HydrophobicContact CG-CB 4.36Å; R368-D370 IonicContact CZ-OD1 3.32Å; R368-D370 VanDerWaalsContact CZ-OD1 3.32Å; R368-D370 IonicContact NE-OD1 2.72Å; R368-D370 PolarHBondContact NE-OD1 2.85Å; R368-D370 IonicContact NH2-OD1 3.03Å; R368-D370 PolarHBondContact NH2-OD1 2.79Å |
| 371 | R | 96.9 | Very high | 92.3 | Very high | 190 Ų | 190 | 63.6 Ų | 63.6 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 11.3 | 178.8 | -56.3 | -164.5 | -179.4 | -171.9 | -5 | 114 | R306 D307 A369 | R306-R371 WeakPolarHBondContact O-CB 3.48Å; R306-R371 PolarHBondContact O-N 2.9Å; D307-R371 VanDerWaalsContact OD1-CD 3.3Å; D307-R371 WeakPolarHBondContact OD1-CD 3.07Å; D307-R371 IonicContact OD1-NE 3.2Å; A369-R371 VanDerWaalsContact C-N 3.32Å; A369-R371 PolarHBondContact O-N 3.19Å |
| 372 | G | 97.2 | Very high | 92.5 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -172.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G308 V327 | G308-G372 WeakPolarHBondContact O-CA 3.35Å; V327-G372 WeakPolarHBondContact CB-O 3.44Å; V327-G372 PolarHBondContact N-O 2.86Å |
| 373 | S | 97.9 | Very high | 92.1 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 150.5 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | A309 V310 A328 | A309-S373 WeakPolarHBondContact CA-O 3.3Å; V310-S373 PolarHBondContact N-O 2.83Å; A328-S373 CarbonylContact O-C 3.5Å; A328-S373 VanDerWaalsContact O-CA 3.27Å; A328-S373 WeakPolarHBondContact O-CA 3.26Å |
| 374 | V | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.5 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | V310 L324 C325 A328 V329 N330 A367 A369 | V310-V374 HydrophobicContact CB-CG2 4.32Å; V310-V374 CarbonylContact O-C 3.54Å; V310-V374 WeakPolarHBondContact O-CA 3.27Å; L324-V374 HydrophobicContact CB-CG1 4.03Å; L324-V374 HydrophobicContact CD2-CG1 4.1Å; L324-V374 HydrophobicContact CG-CG1 4.43Å; C325-V374 WeakPolarHBondContact O-CG2 3.36Å; A328-V374 PolarHBondContact O-N 3.47Å; V329-V374 WeakPolarHBondContact CA-O 3.19Å; V329-V374 HydrophobicContact CG2-CB 4.45Å; N330-V374 PolarHBondContact N-O 3.05Å; A367-V374 HydrophobicContact CB-CG1 3.82Å; A369-V374 HydrophobicContact CB-CG2 3.85Å |
| 375 | Q | 98.4 | Very high | 89.6 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.6 | 174.1 | -172.7 | -179.6 | 32.9 | 0 | 0 | 110.2 | V310 S311 V312 N330 | V310-Q375 PolarHBondContact O-N 3.3Å; S311-Q375 WeakPolarHBondContact CA-O 3.21Å; S311-Q375 PolarHBondContact OG-OE1 2.83Å; V312-Q375 PolarHBondContact N-O 2.87Å; N330-Q375 HydrophobicContact CB-CG 4.49Å; N330-Q375 CarbonylContact O-C 3.48Å; N330-Q375 VanDerWaalsContact O-CA 3.27Å; N330-Q375 WeakPolarHBondContact O-CA 3.5Å |
| 376 | L | 97.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.7 | 169.7 | 180 | 63.2 | 0 | 0 | 0 | 109.3 | V312 V314 V322 L324 N330 V331 S332 V335 M355 | V312-L376 HydrophobicContact CB-CD1 3.92Å; V312-L376 HydrophobicContact CG1-CD1 4.1Å; V314-L376 HydrophobicContact CG1-CD1 3.94Å; V314-L376 HydrophobicContact CG2-CD1 4.03Å; V322-L376 HydrophobicContact CG1-CD2 4.23Å; L324-L376 HydrophobicContact CD1-CB 3.86Å; L324-L376 HydrophobicContact CD1-CD2 4.03Å; N330-L376 PolarHBondContact O-N 3.16Å; V331-L376 HydrophobicContact CG1-CD2 4.43Å; V331-L376 HydrophobicContact CG2-CB 4.36Å; S332-L376 PolarHBondContact N-O 2.92Å; S332-L376 PolarHBondContact OG-O 3.35Å; V335-L376 HydrophobicContact CG1-CD2 3.88Å; V335-L376 HydrophobicContact CG1-CG 4.28Å; V335-L376 HydrophobicContact CG2-CG 4.39Å; M355-L376 HydrophobicContact SD-CD2 4.1Å |
| 377 | R | 96.3 | Very high | 86.6 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 32% | 0.317 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 152.4 | -179.2 | 64.4 | 178.9 | 173.8 | 141.6 | -5.9 | 112.6 | V312 R313 V314 S332 | V312-R377 PolarHBondContact O-N 3.25Å; R313-R377 WeakPolarHBondContact CA-O 3.37Å; R313-R377 HydrophobicContact CG-CG 4.12Å; V314-R377 PolarHBondContact N-O 2.82Å; S332-R377 WeakPolarHBondContact OG-CA 3.25Å; S332-R377 WeakPolarHBondContact OG-CB 3.27Å |
| 378 | T | 92.3 | Very high | 84 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.8 | 170.4 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | V314 V335 | V314-T378 CarbonylContact O-C 3.55Å; V314-T378 VanDerWaalsContact O-CA 3.22Å; V314-T378 WeakPolarHBondContact O-CA 3.33Å; V335-T378 WeakPolarHBondContact CG2-OG1 3.39Å |
| 379 | Q | 90.1 | Very high | 81 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 13% | 0.131 | 39% | 0.39 | C | S | . | . | trans | -144.4 | 138.3 | 166.5 | -172.1 | -177.1 | 19.5 | 0 | 0 | 108.4 | Y294 R313 V314 E383 | Y294-Q379 HydrophobicContact CD2-CB 4.41Å; Y294-Q379 HydrophobicContact CE2-CB 4.31Å; R313-Q379 HydrophobicContact CB-CB 4.23Å; V314-Q379 PolarHBondContact O-N 2.98Å; Q379-E383 HydrophobicContact CG-CB 3.88Å; Q379-E383 PolarHBondContact NE2-O 2.86Å | ||
| 380 | S | 79.4 | Confident | 80.2 | Confident | 50 Ų | 50 | 83.9 Ų | 83.9 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | trans | -72.2 | 151.2 | 174 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | L382 E383 S384 | S380-L382 PolarHBondContact O-N 3.17Å; S380-E383 WeakPolarHBondContact CB-OE2 3.29Å; S380-E383 PolarHBondContact N-OE2 3.03Å; S380-E383 PolarHBondContact O-N 2.76Å; S380-E383 WeakPolarHBondContact OG-CB 3.44Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.3Å; S380-E383 PolarHBondContact OG-OE2 2.72Å; S380-S384 PolarHBondContact O-N 3Å; S380-S384 VanDerWaalsContact O-N 3.1Å | ||
| 381 | W | 70.7 | Confident | 79.3 | Confident | 143 Ų | 143 | 86.3 Ų | 86.3 | 54% | 0.542 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 174.6 | 176.8 | 83.6 | 0 | 0 | 0 | 112.3 | E383 S384 L385 | W381-E383 VanDerWaalsContact C-N 3.32Å; W381-E383 PolarHBondContact O-N 2.87Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.2Å; W381-L385 HydrophobicContact CD2-CD1 4.49Å; W381-L385 HydrophobicContact CD2-CG 4.42Å; W381-L385 HydrophobicContact CE3-CD1 4.14Å; W381-L385 HydrophobicContact CE3-CG 4.49Å; W381-L385 HydrophobicContact CH2-CD1 3.57Å; W381-L385 HydrophobicContact CH2-CD2 4.34Å; W381-L385 HydrophobicContact CH2-CG 4.32Å; W381-L385 HydrophobicContact CZ2-CD1 3.91Å; W381-L385 HydrophobicContact CZ2-CD2 3.81Å; W381-L385 HydrophobicContact CZ2-CG 4.19Å; W381-L385 HydrophobicContact CZ3-CD1 3.67Å; W381-L385 HydrophobicContact CZ3-CG 4.44Å; W381-L385 PolarHBondContact O-N 2.8Å |
| 382 | L | 70.3 | Confident | 78.3 | Confident | 114 Ų | 114 | 80.5 Ų | 80.5 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 178.3 | -174.2 | 66 | 0 | 0 | 0 | 111.9 | S380 S384 L385 L387 | S380-L382 PolarHBondContact O-N 3.17Å; L382-S384 VanDerWaalsContact C-N 3.33Å; L382-L385 HydrophobicContact CD1-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.03Å; L382-L387 HydrophobicContact CD1-CD1 4.1Å |
| 383 | E | 73.3 | Confident | 77.2 | Confident | 116 Ų | 116 | 84.4 Ų | 84.4 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.4 | -30.4 | 175.2 | -70.3 | 161.5 | 153.8 | 0 | 0 | 112.3 | Q379 S380 W381 L385 K386 | Q379-E383 HydrophobicContact CG-CB 3.88Å; Q379-E383 PolarHBondContact NE2-O 2.86Å; S380-E383 WeakPolarHBondContact CB-OE2 3.29Å; S380-E383 PolarHBondContact N-OE2 3.03Å; S380-E383 PolarHBondContact O-N 2.76Å; S380-E383 WeakPolarHBondContact OG-CB 3.44Å; S380-E383 WeakPolarHBondContact OG-CG 3.44Å; S380-E383 PolarHBondContact OG-N 3.3Å; S380-E383 PolarHBondContact OG-OE2 2.72Å; W381-E383 VanDerWaalsContact C-N 3.32Å; W381-E383 PolarHBondContact O-N 2.87Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 2.8Å; E383-K386 PolarHBondContact O-N 2.92Å |
| 384 | S | 66.8 | Low | 75.9 | Confident | 1 Ų | 1 | 86.9 Ų | 86.9 | 1% | 0.007 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -69.2 | -25.6 | 178.8 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | S380 W381 L382 K386 | S380-S384 PolarHBondContact O-N 3Å; S380-S384 VanDerWaalsContact O-N 3.1Å; W381-S384 PolarHBondContact O-N 2.89Å; W381-S384 VanDerWaalsContact O-N 3.14Å; W381-S384 PolarHBondContact O-OG 3.2Å; L382-S384 VanDerWaalsContact C-N 3.33Å; S384-K386 PolarHBondContact O-N 3.27Å |
| 385 | L | 67.3 | Low | 74.4 | Confident | 48 Ų | 48 | 92.7 Ų | 92.7 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14 | 175.1 | -62.6 | -175.8 | 0 | 0 | 0 | 114.3 | H259 W381 L382 E383 L387 | H259-L385 WeakPolarHBondContact NE2-CD2 3.28Å; W381-L385 HydrophobicContact CD2-CD1 4.49Å; W381-L385 HydrophobicContact CD2-CG 4.42Å; W381-L385 HydrophobicContact CE3-CD1 4.14Å; W381-L385 HydrophobicContact CE3-CG 4.49Å; W381-L385 HydrophobicContact CH2-CD1 3.57Å; W381-L385 HydrophobicContact CH2-CD2 4.34Å; W381-L385 HydrophobicContact CH2-CG 4.32Å; W381-L385 HydrophobicContact CZ2-CD1 3.91Å; W381-L385 HydrophobicContact CZ2-CD2 3.81Å; W381-L385 HydrophobicContact CZ2-CG 4.19Å; W381-L385 HydrophobicContact CZ3-CD1 3.67Å; W381-L385 HydrophobicContact CZ3-CG 4.44Å; W381-L385 PolarHBondContact O-N 2.8Å; L382-L385 HydrophobicContact CD1-CD1 4.46Å; L382-L385 PolarHBondContact O-N 3.03Å; E383-L385 VanDerWaalsContact C-N 3.26Å; E383-L385 PolarHBondContact O-N 2.8Å; L385-L387 HydrophobicContact CB-CD1 4.34Å; L385-L387 HydrophobicContact CB-CD2 4.34Å; L385-L387 HydrophobicContact CB-CG 3.83Å; L385-L387 HydrophobicContact CD1-CD1 4.01Å; L385-L387 HydrophobicContact CD1-CG 4.33Å; L385-L387 PolarHBondContact O-N 3.3Å |
| 386 | K | 69.3 | Low | 72.6 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 39.1 | -178.3 | -60.2 | 173.2 | -174.1 | 160.5 | 0 | 112.8 | D276 E383 S384 R388 | D276-K386 WeakPolarHBondContact OD1-CE 3.45Å; D276-K386 IonicContact OD1-NZ 2.84Å; D276-K386 PolarHBondContact OD1-NZ 2.89Å; D276-K386 IonicContact OD2-NZ 3.1Å; D276-K386 PolarHBondContact OD2-NZ 2.9Å; E383-K386 PolarHBondContact O-N 2.92Å; S384-K386 PolarHBondContact O-N 3.27Å; K386-R388 PolarHBondContact O-N 3.29Å |
| 387 | L | 62.7 | Low | 70.7 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | trans | -61.2 | 122.6 | 176.2 | -63.3 | 174 | 0 | 0 | 0 | 107.9 | L382 L385 S389 | L382-L387 HydrophobicContact CD1-CD1 4.1Å; L385-L387 HydrophobicContact CB-CD1 4.34Å; L385-L387 HydrophobicContact CB-CD2 4.34Å; L385-L387 HydrophobicContact CB-CG 3.83Å; L385-L387 HydrophobicContact CD1-CD1 4.01Å; L385-L387 HydrophobicContact CD1-CG 4.33Å; L385-L387 PolarHBondContact O-N 3.3Å; L387-S389 PolarHBondContact O-N 3.12Å | ||
| 388 | R | 44 | Very low | 68.6 | Low | 250 Ų | 250 | 102.3 Ų | 102.3 | 94% | 0.943 | 51% | 0.51 | S | S | * | . | trans | -58.3 | 121.7 | 176 | -77 | -176.5 | 172.3 | -176.1 | -3.7 | 108.6 | K386 | K386-R388 PolarHBondContact O-N 3.29Š| ||
| 389 | S | 36.8 | Very low | 66.4 | Low | 188 Ų | 188 | 107.7 Ų | 107.7 | 100% | 1.315 | 53% | 0.533 | S | S | * | . | trans | -71.1 | 0 | 160.9 | 61 | 0 | 0 | 0 | 0 | 110.7 | L387 | L387-S389 PolarHBondContact O-N 3.12Š|
Retrieved 389 of 389 residues in 144.9 ms
(Link to these results)