| 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 | 34.4 | Very low | 29.4 | Very low | 232 Ų | 232 | 156.7 Ų | 156.7 | 100% | 1.143 | 84% | 0.841 | S | S | * | * | 0 | 89.2 | 0 | -76.7 | 162.8 | 92.9 | 0 | 0 | 106.1 | |||||
| 2 | W | 28.3 | Very low | 29.4 | Very low | 233 Ų | 233 | 155.8 Ų | 155.8 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | 70 | 87.9 | 95.6 | -85.5 | 58.1 | 0 | 0 | 0 | 110.5 | |||||
| 3 | T | 31 | Very low | 29.3 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | 86.4 | 142.3 | 84.7 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 4 | A | 31.1 | Very low | 29.2 | Very low | 99 Ų | 99 | 155 Ų | 155 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | cis | -163.5 | 165.2 | 7.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 5 | G | 28 | Very low | 29 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | cis | 117.7 | 116.5 | 22.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 6 | R | 28.5 | Very low | 29 | Very low | 251 Ų | 251 | 151.6 Ų | 151.6 | 95% | 0.947 | 83% | 0.83 | S | S | * | * | trans | 89.1 | 128.4 | 141.2 | -96 | 179 | 178.7 | 174.2 | -0.7 | 123.6 | ||||
| 7 | M | 27.8 | Very low | 29 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | trans | -38 | 152.3 | 144.2 | -62.7 | 157.4 | 64.3 | 0 | 0 | 115.4 | ||||
| 8 | S | 28.8 | Very low | 29 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | 179.6 | 128.4 | 124.2 | -172 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 9 | N | 27.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | trans | 39.3 | 123.5 | 136.6 | -61.6 | -26.5 | 0 | 0 | 0 | 124.5 | ||||
| 10 | A | 29.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | 25.3 | 129 | 123.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 11 | K | 29 | Very low | 29.3 | Very low | 201 Ų | 201 | 148.4 Ų | 148.4 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | -179.6 | 129.5 | 118.9 | -99.1 | 172.7 | -177 | -179.2 | 0 | 112.7 | |||||
| 12 | N | 28.8 | Very low | 29 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | trans | 21.2 | 144.2 | 135.8 | -72.4 | -4.4 | 0 | 0 | 0 | 119.8 | ||||
| 13 | L | 27.7 | Very low | 29.1 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | cis | -173.2 | 158.5 | 29.9 | -148.5 | 81.7 | 0 | 0 | 0 | 109.8 | ||||
| 14 | L | 28.4 | Very low | 29.1 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | 77.5 | 124.2 | 152.9 | -77.6 | 161.5 | 0 | 0 | 0 | 122.5 | ||||
| 15 | G | 26.6 | Very low | 29.1 | Very low | 67 Ų | 67 | 147.9 Ų | 147.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 154.1 | 75.8 | 149 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 16 | L | 28.8 | Very low | 29.1 | Very low | 189 Ų | 189 | 153.4 Ų | 153.4 | 99% | 0.99 | 82% | 0.822 | S | S | * | * | trans | 43.8 | 124 | 141.6 | -75.4 | 149.8 | 0 | 0 | 0 | 121.3 | ||||
| 17 | G | 28.6 | Very low | 29.2 | Very low | 80 Ų | 80 | 149 Ų | 149 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 161.7 | 75.8 | 156 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 18 | V | 29.5 | Very low | 29.2 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | -98.5 | 132.5 | 169.9 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 19 | S | 30.6 | Very low | 29.3 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -143.5 | 108 | 155 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 20 | L | 31.9 | Very low | 29.4 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | trans | -97.8 | 137.3 | 166 | -86 | 154.4 | 0 | 0 | 0 | 107.8 | ||||
| 21 | Y | 30.3 | Very low | 29.4 | Very low | 224 Ų | 224 | 151.7 Ų | 151.7 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | trans | -94.3 | 127.1 | 160.7 | -96.3 | -86.4 | 0 | 0 | 0 | 109 | ||||
| 22 | F | 28.8 | Very low | 29.4 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 77% | 0.768 | 83% | 0.827 | S | S | * | * | trans | -120 | 161.7 | 171.3 | -129.8 | -91.5 | 0 | 0 | 0 | 107.3 | ||||
| 23 | W | 31.1 | Very low | 29.4 | Very low | 256 Ų | 256 | 149.7 Ų | 149.7 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | trans | 168.3 | 127.8 | 141.8 | -93.5 | 38 | 0 | 0 | 0 | 105.4 | ||||
| 24 | G | 30.8 | Very low | 29.4 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 66% | 0.66 | 84% | 0.835 | S | S | * | * | cis | 138.4 | 102.4 | 8.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 25 | L | 29.6 | Very low | 29.4 | Very low | 177 Ų | 177 | 144.5 Ų | 144.5 | 93% | 0.927 | 83% | 0.833 | S | S | * | * | trans | -66.8 | 148.9 | 165.1 | -94.9 | 102 | 0 | 0 | 0 | 110.4 | ||||
| 26 | M | 29.2 | Very low | 29.4 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -121.9 | 124.3 | 163.9 | -88.7 | -151.9 | 158 | 0 | 0 | 111.5 | ||||
| 27 | D | 29.3 | Very low | 29.4 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 83% | 0.834 | S | S | * | * | trans | -83.7 | 147.2 | 158.2 | -82.5 | -40.7 | 0 | 0 | 0 | 110.3 | ||||
| 28 | L | 28.9 | Very low | 29.6 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 86% | 0.864 | 84% | 0.838 | S | S | * | * | trans | -108.7 | 112.3 | 172 | -91.7 | 153.3 | 0 | 0 | 0 | 110 | ||||
| 29 | T | 30.3 | Very low | 29.6 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 84% | 0.838 | S | S | * | * | trans | -118.1 | 129.6 | 158.1 | 49 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 30 | T | 30 | Very low | 29.6 | Very low | 133 Ų | 133 | 153.9 Ų | 153.9 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | trans | -110.1 | 116 | 177.2 | 45.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | T | 29.8 | Very low | 29.4 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 87% | 0.871 | 85% | 0.846 | S | S | * | * | trans | -100.1 | 145.1 | 166.2 | 35.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 32 | V | 28 | Very low | 29.4 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 84% | 0.842 | 85% | 0.847 | S | S | * | * | trans | -52.6 | 136 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 33 | L | 30 | Very low | 29.4 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 85% | 0.853 | S | S | * | * | trans | -138.7 | 144.2 | 151 | -102.3 | 166.9 | 0 | 0 | 0 | 111.1 | ||||
| 34 | S | 26.5 | Very low | 29.4 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -72.8 | 139.7 | -168.7 | 51 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 35 | G | 28.7 | Very low | 29.6 | Very low | 80 Ų | 80 | 155.5 Ų | 155.5 | 83% | 0.825 | 86% | 0.856 | S | S | * | * | trans | -142.1 | 92.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 36 | S | 26.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 154 Ų | 154 | 87% | 0.867 | 85% | 0.85 | S | S | * | * | trans | -79.2 | 119.7 | 172.6 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 37 | A | 29.6 | Very low | 29.9 | Very low | 101 Ų | 101 | 153 Ų | 153 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -125.3 | 115.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 38 | R | 31.4 | Very low | 30.2 | Very low | 245 Ų | 245 | 153.1 Ų | 153.1 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 157.6 | 175.6 | -89.9 | -178.7 | 178.5 | 174.7 | -0.2 | 111 | ||
| 39 | P | 30.3 | Very low | 30.3 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 144.3 | -167.6 | 34.4 | -32.9 | 0 | 0 | 0 | 111.9 | ||
| 40 | L | 30.3 | Very low | 30.7 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -90 | 121.1 | 159.6 | -89.5 | 158.5 | 0 | 0 | 0 | 108.4 | ||
| 41 | S | 27.4 | Very low | 31.2 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117.5 | 171.9 | 137.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 42 | E | 30.9 | Very low | 31.6 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 91% | 0.911 | 84% | 0.84 | S | S | * | * | trans | -121.6 | 112.8 | 149.6 | -87.9 | -178.2 | 163.1 | 0 | 0 | 108.3 | ||||
| 43 | R | 29.6 | Very low | 32 | Very low | 237 Ų | 237 | 158.6 Ų | 158.6 | 89% | 0.894 | 84% | 0.839 | S | S | * | * | trans | -71.3 | 123 | 164.2 | -78.7 | 178.9 | 179.3 | 172.5 | -1.5 | 107.4 | ||||
| 44 | Q | 29.6 | Very low | 32.3 | Very low | 177 Ų | 177 | 159.9 Ų | 159.9 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -144.6 | 101.6 | 148.9 | -148.5 | 150.3 | -5.5 | 0 | 0 | 108 | D46 | Q44-D46 PolarHBondContact O-N 2.78Š| ||
| 45 | E | 35.4 | Very low | 32.8 | Very low | 185 Ų | 185 | 166.1 Ų | 166.1 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -63.2 | 123.5 | 158.7 | -74.6 | 174.2 | 154.5 | 0 | 0 | 106.8 | ||||
| 46 | D | 31.4 | Very low | 33.3 | Very low | 147 Ų | 147 | 171 Ų | 171 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | trans | -156.3 | 143.8 | 147.4 | -103.2 | -28.6 | 0 | 0 | 0 | 111.6 | Q44 | Q44-D46 PolarHBondContact O-N 2.78Š| ||
| 47 | H | 32.8 | Very low | 34.2 | Very low | 166 Ų | 166 | 172.8 Ų | 172.8 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | -75.6 | 148.5 | -159.3 | -87.4 | -82.6 | 0 | 0 | 0 | 116.5 | ||||
| 48 | L | 35.7 | Very low | 35.2 | Very low | 158 Ų | 158 | 179 Ų | 179 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | 53.1 | 111.7 | 140 | -75.9 | 148.1 | 0 | 0 | 0 | 120 | ||||
| 49 | S | 32.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 172.8 Ų | 172.8 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | -173.9 | 128.3 | 114.6 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | K51 | S49-K51 PolarHBondContact O-N 2.89Š| |||
| 50 | D | 38.7 | Very low | 37.1 | Very low | 168 Ų | 168 | 177.3 Ų | 177.3 | 90% | 0.898 | 84% | 0.84 | S | S | * | * | trans | -54.4 | 124.1 | 174.2 | -105.4 | -35.9 | 0 | 0 | 0 | 113 | ||||
| 51 | K | 39.3 | Very low | 38.2 | Very low | 182 Ų | 182 | 174.2 Ų | 174.2 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -125.7 | 108.7 | 156.6 | -84.2 | -172.4 | 179.2 | 178.3 | 0 | 108.9 | S49 H53 | S49-K51 PolarHBondContact O-N 2.89Å; K51-H53 PolarHBondContact O-N 2.73Å | ||
| 52 | Q | 37.6 | Very low | 39.7 | Very low | 195 Ų | 195 | 179.4 Ų | 179.4 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -68.9 | 110.9 | -179.9 | -152.8 | 174.4 | 6.5 | 0 | 0 | 109.9 | ||||
| 53 | H | 37.2 | Very low | 41.5 | Very low | 179 Ų | 179 | 172.8 Ų | 172.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85 | 117.9 | 165.8 | -79.7 | -111 | 0 | 0 | 0 | 108.9 | K51 | K51-H53 PolarHBondContact O-N 2.73Š|
| 54 | Q | 36.6 | Very low | 44.1 | Very low | 193 Ų | 193 | 165.7 Ų | 165.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 120.5 | 176.6 | -160.5 | 170.6 | 7.5 | 0 | 0 | 110 | ||
| 55 | R | 35.8 | Very low | 46.8 | Very low | 240 Ų | 240 | 159.4 Ų | 159.4 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 119.3 | 176.7 | -148.5 | -176.8 | -155.1 | -155.3 | 6.3 | 108.5 | ||
| 56 | M | 41.1 | Very low | 49.3 | Very low | 183 Ų | 183 | 155.2 Ų | 155.2 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 130.3 | 166.6 | -72.5 | -168.6 | -176.3 | 0 | 0 | 109.4 | ||
| 57 | K | 45.6 | Very low | 52 | Low | 161 Ų | 161 | 148.5 Ų | 148.5 | 70% | 0.7 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 130.1 | 179.8 | -147.9 | 179.5 | -176.2 | -171.7 | 0 | 108.2 | D85 | K57-D85 IonicContact NZ-OD2 2.78Å; K57-D85 PolarHBondContact NZ-OD2 2.72Å |
| 58 | R | 49.6 | Very low | 54.5 | Low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.875 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130 | 170.5 | -63.7 | -177 | -179.1 | -154.5 | -1.2 | 107.8 | W60 | R58-W60 PolarHBondContact O-N 2.97Š|
| 59 | S | 50.6 | Low | 56.9 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 127.8 | 172.2 | 19.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 60 | W | 50.3 | Low | 58.9 | Low | 217 Ų | 217 | 135.7 Ų | 135.7 | 82% | 0.822 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 130.9 | 166.8 | -73.7 | 88.4 | 0 | 0 | 0 | 108.1 | R58 | R58-W60 PolarHBondContact O-N 2.97Š|
| 61 | V | 53.3 | Low | 60.3 | Low | 117 Ų | 117 | 132.7 Ų | 132.7 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | trans | -98.9 | 86.1 | 174.9 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | N63 | V61-N63 WeakPolarHBondContact CA-OD1 3.33Š| ||
| 62 | W | 59.3 | Low | 61.2 | Low | 215 Ų | 215 | 129.5 Ų | 129.5 | 81% | 0.814 | 59% | 0.593 | S | S | * | * | trans | -125.2 | 85.2 | 164 | -79.8 | 89.8 | 0 | 0 | 0 | 106.6 | ||||
| 63 | N | 68.4 | Low | 62.5 | Low | 55 Ų | 55 | 121.9 Ų | 121.9 | 29% | 0.294 | 57% | 0.568 | S | S | . | * | trans | -119.9 | 37.7 | -165 | -60.4 | 23.7 | 0 | 0 | 0 | 110.4 | V61 E149 F150 I151 | V61-N63 WeakPolarHBondContact CA-OD1 3.33Å; N63-E149 WeakPolarHBondContact CB-O 3.37Å; N63-E149 PolarHBondContact ND2-O 3.06Å; N63-F150 HydrophobicContact CB-CB 4.08Å; N63-F150 CarbonylContact O-C 3.6Å; N63-F150 WeakPolarHBondContact O-CA 3.15Å; N63-I151 PolarHBondContact O-N 3.45Å | ||
| 64 | Q | 84.3 | Confident | 63.9 | Low | 89 Ų | 89 | 120.2 Ų | 120.2 | 42% | 0.416 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.3 | 172.9 | 67.6 | -174.3 | 8.2 | 0 | 0 | 113.4 | F66 I151 | Q64-F66 HydrophobicContact CG-CE2 3.89Å; Q64-F66 HydrophobicContact CG-CZ 4.08Å; Q64-I151 CarbonylContact C-O 3.54Å; Q64-I151 WeakPolarHBondContact CA-O 3.43Å |
| 65 | F | 87.4 | Confident | 65.9 | Low | 44 Ų | 44 | 116.6 Ų | 116.6 | 19% | 0.193 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.2 | 152.2 | 164.8 | -63.9 | -76.1 | 0 | 0 | 0 | 109.3 | V79 L82 I115 F150 I151 I152 K153 | F65-V79 HydrophobicContact CB-CG1 3.72Å; F65-V79 HydrophobicContact CG-CG1 4.1Å; F65-L82 HydrophobicContact CE2-CD2 4.06Å; F65-L82 HydrophobicContact CZ-CD2 3.85Å; F65-L82 HydrophobicContact CZ-CG 4.47Å; F65-I115 HydrophobicContact CE2-CD1 4.12Å; F65-F150 AromaticContact CD2-CD2 3.44Å; F65-F150 HydrophobicContact CD2-CD2 3.44Å; F65-F150 VanDerWaalsContact CD2-CD2 3.44Å; F65-F150 AromaticContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CG 4.38Å; F65-F150 AromaticContact CE2-CD2 3.59Å; F65-F150 HydrophobicContact CE2-CD2 3.59Å; F65-F150 AromaticContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CG 4.17Å; F65-F150 HydrophobicContact CE2-CZ 4.32Å; F65-I151 PolarHBondContact N-O 2.82Å; F65-I152 HydrophobicContact CB-CG1 4.34Å; F65-K153 PolarHBondContact O-N 2.85Å |
| 66 | F | 86.9 | Confident | 68 | Low | 97 Ų | 97 | 108.5 Ų | 108.5 | 43% | 0.425 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.4 | 176.7 | -65.7 | -83.5 | 0 | 0 | 0 | 109.3 | Q64 K153 Q155 | Q64-F66 HydrophobicContact CG-CE2 3.89Å; Q64-F66 HydrophobicContact CG-CZ 4.08Å; F66-K153 WeakPolarHBondContact CA-O 3.3Å; F66-K153 HydrophobicContact CD1-CB 3.83Å; F66-K153 HydrophobicContact CE1-CB 3.93Å; F66-K153 HydrophobicContact CE1-CD 3.88Å; F66-K153 HydrophobicContact CE1-CG 4.45Å; F66-K153 HydrophobicContact CZ-CD 4.48Å; F66-Q155 HydrophobicContact CB-CG 4.12Å; F66-Q155 HydrophobicContact CD1-CG 4.1Å |
| 67 | V | 88.7 | Confident | 70.1 | Confident | 7 Ų | 7 | 101.5 Ų | 101.5 | 4% | 0.042 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.6 | -178.8 | -173.7 | 0 | 0 | 0 | 0 | 108 | L77 V79 L121 I152 K153 I154 Q155 | V67-L77 HydrophobicContact CG1-CD2 3.32Å; V67-L77 HydrophobicContact CG1-CG 4.26Å; V67-V79 HydrophobicContact CG1-CG2 4.47Å; V67-V79 HydrophobicContact CG2-CB 3.92Å; V67-V79 HydrophobicContact CG2-CG1 3.43Å; V67-V79 VanDerWaalsContact CG2-CG1 3.43Å; V67-V79 HydrophobicContact CG2-CG2 3.62Å; V67-L121 HydrophobicContact CB-CD1 4.16Å; V67-L121 HydrophobicContact CG1-CD1 3.57Å; V67-I152 HydrophobicContact CB-CG2 4.3Å; V67-I152 HydrophobicContact CG2-CG2 3.61Å; V67-K153 PolarHBondContact N-O 3.08Å; V67-I154 CarbonylContact O-C 3.55Å; V67-I154 VanDerWaalsContact O-CA 3.27Å; V67-I154 WeakPolarHBondContact O-CA 3.19Å; V67-Q155 PolarHBondContact O-N 2.88Å |
| 68 | L | 84.8 | Confident | 72.1 | Confident | 89 Ų | 89 | 99.6 Ų | 99.6 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 143 | 174 | -70.9 | 163.9 | 0 | 0 | 0 | 110.1 | Q155 I157 | L68-Q155 HydrophobicContact CD2-CB 3.7Å; L68-Q155 HydrophobicContact CG-CB 4.39Å; L68-I157 HydrophobicContact CB-CD1 4.44Å; L68-I157 HydrophobicContact CD2-CG1 4.36Å |
| 69 | E | 87.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.005 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -70.8 | 171.7 | 171.4 | 77.1 | -170.2 | 132.9 | 0 | 0 | 113.1 | Y71 L121 R123 I154 Q155 D156 I157 | E69-Y71 VanDerWaalsContact C-N 3.25Å; E69-Y71 PolarHBondContact O-N 2.9Å; E69-L121 WeakPolarHBondContact CA-O 3.43Å; E69-L121 WeakPolarHBondContact CB-O 3.34Å; E69-R123 WeakPolarHBondContact OE2-CB 3.45Å; E69-R123 PolarHBondContact OE2-N 2.85Å; E69-I154 HydrophobicContact CB-CG2 3.68Å; E69-Q155 PolarHBondContact N-O 2.85Å; E69-Q155 VanDerWaalsContact N-O 3.16Å; E69-D156 WeakPolarHBondContact OE1-CA 3.33Å; E69-I157 HydrophobicContact CG-CB 3.91Å; E69-I157 HydrophobicContact CG-CD1 3.99Å; E69-I157 HydrophobicContact CG-CG1 3.91Å; E69-I157 WeakPolarHBondContact O-CD1 3.26Å; E69-I157 PolarHBondContact OE1-N 3.31Å |
| 70 | E | 73.6 | Confident | 75.7 | Confident | 71 Ų | 71 | 84.2 Ų | 84.2 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | trans | 49.4 | 38.3 | 172 | -79.5 | -68.2 | 171.4 | 0 | 0 | 115.6 | T72 L121 | E70-T72 PolarHBondContact O-N 2.77Å; E70-T72 VanDerWaalsContact O-N 3.14Å; E70-L121 PolarHBondContact N-O 2.85Å | ||
| 71 | Y | 67.9 | Low | 77.5 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | trans | -64.7 | 117.9 | 170.6 | -177.8 | -103.5 | 0 | 0 | 0 | 111 | E69 D75 L77 | E69-Y71 VanDerWaalsContact C-N 3.25Å; E69-Y71 PolarHBondContact O-N 2.9Å; Y71-D75 WeakPolarHBondContact CE1-O 3.48Å; Y71-L77 HydrophobicContact CD1-CB 3.82Å; Y71-L77 HydrophobicContact CD1-CD1 4.14Å; Y71-L77 HydrophobicContact CD1-CD2 4.48Å; Y71-L77 HydrophobicContact CD1-CG 4.38Å; Y71-L77 HydrophobicContact CD2-CD1 3.76Å; Y71-L77 HydrophobicContact CE1-CB 4.19Å; Y71-L77 HydrophobicContact CE1-CD1 4.3Å; Y71-L77 HydrophobicContact CE2-CD1 3.95Å; Y71-L77 HydrophobicContact CG-CB 4.18Å; Y71-L77 HydrophobicContact CG-CD1 3.86Å; Y71-L77 HydrophobicContact CG-CD2 4.03Å; Y71-L77 HydrophobicContact CG-CG 4.25Å | ||
| 72 | T | 59.6 | Low | 79.1 | Confident | 115 Ų | 115 | 74.9 Ų | 74.9 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | trans | -92.4 | 7.2 | -173.8 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | E70 | E70-T72 PolarHBondContact O-N 2.77Å; E70-T72 VanDerWaalsContact O-N 3.14Å | ||
| 73 | G | 64.8 | Low | 80.4 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | trans | -72.8 | 156.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 74 | T | 66.5 | Low | 81.1 | Confident | 143 Ų | 143 | 68.4 Ų | 68.4 | 88% | 0.877 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -85.5 | -17.1 | 173.2 | 50 | 0 | 0 | 0 | 0 | 112.7 | ||
| 75 | D | 77.4 | Confident | 81 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -87.2 | 146.3 | 176.3 | -64.2 | -43 | 0 | 0 | 0 | 110.7 | Y71 L77 | Y71-D75 WeakPolarHBondContact CE1-O 3.48Å; D75-L77 PolarHBondContact O-N 3.22Å |
| 76 | P | 80.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 130.5 | 173.1 | -24.5 | 34.1 | 0 | 0 | 0 | 111.7 | Y78 H116 A117 I118 | P76-Y78 PolarHBondContact O-N 3.02Å; P76-H116 HydrophobicContact CB-CB 3.65Å; P76-A117 CarbonylContact C-O 3.55Å; P76-A117 WeakPolarHBondContact CA-O 3.34Å; P76-I118 HydrophobicContact CB-CG2 4.01Å; P76-I118 HydrophobicContact CG-CG2 4.22Å |
| 77 | L | 85.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 117.4 | -177.8 | 175.6 | 64.7 | 0 | 0 | 0 | 110.2 | V67 Y71 D75 V79 H116 A117 | V67-L77 HydrophobicContact CG1-CD2 3.32Å; V67-L77 HydrophobicContact CG1-CG 4.26Å; Y71-L77 HydrophobicContact CD1-CB 3.82Å; Y71-L77 HydrophobicContact CD1-CD1 4.14Å; Y71-L77 HydrophobicContact CD1-CD2 4.48Å; Y71-L77 HydrophobicContact CD1-CG 4.38Å; Y71-L77 HydrophobicContact CD2-CD1 3.76Å; Y71-L77 HydrophobicContact CE1-CB 4.19Å; Y71-L77 HydrophobicContact CE1-CD1 4.3Å; Y71-L77 HydrophobicContact CE2-CD1 3.95Å; Y71-L77 HydrophobicContact CG-CB 4.18Å; Y71-L77 HydrophobicContact CG-CD1 3.86Å; Y71-L77 HydrophobicContact CG-CD2 4.03Å; Y71-L77 HydrophobicContact CG-CG 4.25Å; D75-L77 PolarHBondContact O-N 3.22Å; L77-V79 PolarHBondContact O-N 3.08Å; L77-H116 CarbonylContact O-C 3.52Å; L77-H116 WeakPolarHBondContact O-CA 3.28Å; L77-A117 HydrophobicContact CB-CB 4.26Å; L77-A117 PolarHBondContact N-O 2.02Å; L77-A117 PolarHBondContact O-N 2.86Å |
| 78 | Y | 87.7 | Confident | 80 | Confident | 122 Ų | 122 | 78.3 Ų | 78.3 | 48% | 0.478 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 121.8 | 176.7 | 177.9 | -98.5 | 0 | 0 | 0 | 111.2 | P76 G80 K81 D114 H116 | P76-Y78 PolarHBondContact O-N 3.02Å; Y78-G80 WeakPolarHBondContact CE2-O 3.18Å; Y78-K81 VanDerWaalsContact OH-CB 3.26Å; Y78-K81 WeakPolarHBondContact OH-CB 3.28Å; Y78-K81 PolarHBondContact OH-N 2.96Å; Y78-D114 HydrophobicContact CD2-CB 4.3Å; Y78-D114 HydrophobicContact CE2-CB 3.82Å; Y78-H116 AromaticContact CD2-NE2 3.72Å |
| 79 | V | 88.3 | Confident | 79.4 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 9% | 0.091 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -40.4 | -177.8 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | F65 V67 L77 F106 I115 A117 I152 | F65-V79 HydrophobicContact CB-CG1 3.72Å; F65-V79 HydrophobicContact CG-CG1 4.1Å; V67-V79 HydrophobicContact CG1-CG2 4.47Å; V67-V79 HydrophobicContact CG2-CB 3.92Å; V67-V79 HydrophobicContact CG2-CG1 3.43Å; V67-V79 VanDerWaalsContact CG2-CG1 3.43Å; V67-V79 HydrophobicContact CG2-CG2 3.62Å; L77-V79 PolarHBondContact O-N 3.08Å; V79-F106 HydrophobicContact CG2-CD1 4.09Å; V79-F106 HydrophobicContact CG2-CE1 4.09Å; V79-I115 HydrophobicContact CB-CB 4.28Å; V79-I115 HydrophobicContact CB-CG2 4.01Å; V79-I115 HydrophobicContact CG1-CG2 4.37Å; V79-I115 HydrophobicContact CG2-CG2 4.37Å; V79-I115 PolarHBondContact N-O 3.47Å; V79-A117 HydrophobicContact CG2-CB 4.08Å; V79-I152 HydrophobicContact CG1-CD1 4.03Å; V79-I152 HydrophobicContact CG1-CG1 4.38Å; V79-I152 HydrophobicContact CG1-CG2 4.36Å |
| 80 | G | 87.8 | Confident | 79 | Confident | 7 Ų | 7 | 82.3 Ų | 82.3 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.5 | -176.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y78 I115 | Y78-G80 WeakPolarHBondContact CE2-O 3.18Å; G80-I115 PolarHBondContact O-N 3.4Å |
| 81 | K | 88.4 | Confident | 79.2 | Confident | 99 Ų | 99 | 80.4 Ų | 80.4 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 135.6 | -178.2 | 177.4 | 175.8 | -155.8 | 146.2 | 0 | 110.5 | Y78 T112 G113 D114 | Y78-K81 VanDerWaalsContact OH-CB 3.26Å; Y78-K81 WeakPolarHBondContact OH-CB 3.28Å; Y78-K81 PolarHBondContact OH-N 2.96Å; K81-T112 WeakPolarHBondContact CE-O 3.27Å; K81-T112 PolarHBondContact NZ-O 3.45Å; K81-G113 WeakPolarHBondContact CA-O 3.42Å; K81-D114 WeakPolarHBondContact CD-OD1 3.19Å; K81-D114 WeakPolarHBondContact CE-OD1 2.99Å; K81-D114 VanDerWaalsContact CG-OD1 3.23Å; K81-D114 WeakPolarHBondContact CG-OD1 3.44Å; K81-D114 IonicContact NZ-OD1 2.6Å; K81-D114 PolarHBondContact NZ-OD1 2.89Å |
| 82 | L | 86.6 | Confident | 79.9 | Confident | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | trans | -101.6 | 138 | 167.8 | -64.6 | 177.4 | 0 | 0 | 0 | 109.4 | F65 I108 G113 I115 A133 F150 | F65-L82 HydrophobicContact CE2-CD2 4.06Å; F65-L82 HydrophobicContact CZ-CD2 3.85Å; F65-L82 HydrophobicContact CZ-CG 4.47Å; L82-I108 HydrophobicContact CB-CD1 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.12Å; L82-G113 PolarHBondContact N-O 3.25Å; L82-I115 HydrophobicContact CD1-CD1 3.82Å; L82-I115 HydrophobicContact CG-CD1 3.83Å; L82-A133 HydrophobicContact CD1-CB 3.16Å; L82-F150 HydrophobicContact CD1-CE1 3.86Å; L82-F150 HydrophobicContact CD1-CZ 4.26Å | ||
| 83 | H | 85.8 | Confident | 81.2 | Confident | 126 Ų | 126 | 72.4 Ų | 72.4 | 58% | 0.583 | 40% | 0.399 | S | S | * | . | trans | -143.4 | 129.8 | -178.6 | -177.7 | 64.8 | 0 | 0 | 0 | 109.6 | D87 | H83-D87 IonicContact ND1-OD2 3.19Š| ||
| 84 | S | 83.8 | Confident | 82.3 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | trans | -91.8 | 140.3 | 170.4 | 167.1 | 0 | 0 | 0 | 0 | 109.3 | M86 D87 Y95 E145 | S84-M86 PolarHBondContact O-N 2.66Å; S84-M86 WeakPolarHBondContact OG-CB 3.22Å; S84-M86 PolarHBondContact OG-N 2.88Å; S84-M86 VanDerWaalsContact OG-N 3.13Å; S84-D87 WeakPolarHBondContact O-CB 3.38Å; S84-D87 PolarHBondContact O-N 2.89Å; S84-Y95 PolarHBondContact N-OH 2.7Å; S84-E145 WeakPolarHBondContact OG-CG 3.43Å; S84-E145 PolarHBondContact OG-OE1 2.82Å | ||
| 85 | D | 81.5 | Confident | 83.4 | Confident | 106 Ų | 106 | 68 Ų | 68 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.9 | 174.5 | 65.4 | -14 | 0 | 0 | 0 | 113.2 | K57 D87 | K57-D85 IonicContact NZ-OD2 2.78Å; K57-D85 PolarHBondContact NZ-OD2 2.72Å; D85-D87 VanDerWaalsContact C-N 3.32Å |
| 86 | M | 81 | Confident | 84 | Confident | 95 Ų | 95 | 65.5 Ų | 65.5 | 47% | 0.468 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14.2 | 167.7 | -58.3 | -160.4 | -173.3 | 0 | 0 | 112.9 | S84 R88 I93 M144 | S84-M86 PolarHBondContact O-N 2.66Å; S84-M86 WeakPolarHBondContact OG-CB 3.22Å; S84-M86 PolarHBondContact OG-N 2.88Å; S84-M86 VanDerWaalsContact OG-N 3.13Å; M86-R88 PolarHBondContact O-N 3.34Å; M86-I93 HydrophobicContact CB-CD1 3.79Å; M86-M144 HydrophobicContact SD-CB 4.25Å |
| 87 | D | 81.4 | Confident | 84.5 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | trans | -76.4 | 108.6 | 179.6 | -169.8 | -5.6 | 0 | 0 | 0 | 110.3 | H83 S84 D85 G89 I93 Y95 | H83-D87 IonicContact ND1-OD2 3.19Å; S84-D87 WeakPolarHBondContact O-CB 3.38Å; S84-D87 PolarHBondContact O-N 2.89Å; D85-D87 VanDerWaalsContact C-N 3.32Å; D87-G89 PolarHBondContact O-N 2.8Å; D87-G89 PolarHBondContact OD1-N 3.49Å; D87-I93 HydrophobicContact CB-CD1 3.85Å; D87-I93 HydrophobicContact CB-CG1 4.37Å; D87-Y95 WeakPolarHBondContact CB-OH 3.2Å; D87-Y95 PolarHBondContact OD2-OH 2.94Å | ||
| 88 | R | 78.8 | Confident | 84.7 | Confident | 221 Ų | 221 | 63.6 Ų | 63.6 | 83% | 0.834 | 33% | 0.333 | S | S | * | . | trans | -85.3 | 5 | 179.3 | -63.9 | -178.4 | -177.8 | 167.9 | 0 | 112.8 | M86 D90 | M86-R88 PolarHBondContact O-N 3.34Å; R88-D90 PolarHBondContact O-N 3.04Å | ||
| 89 | G | 72.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 60.1 Ų | 60.1 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 70.5 | 15.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D87 | D87-G89 PolarHBondContact O-N 2.8Å; D87-G89 PolarHBondContact OD1-N 3.49Å |
| 90 | D | 78.8 | Confident | 84.5 | Confident | 104 Ų | 104 | 63.3 Ų | 63.3 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -92.4 | 4.1 | 176.8 | 64.1 | -7.2 | 0 | 0 | 0 | 112.8 | R88 S92 | R88-D90 PolarHBondContact O-N 3.04Å; D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.26Å; D90-S92 WeakPolarHBondContact OD1-CB 3.08Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.99Å |
| 91 | G | 77.8 | Confident | 84.3 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 71.9 | 17.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | I93 R138 | G91-I93 VanDerWaalsContact C-N 3.31Å; G91-R138 WeakPolarHBondContact O-CD 3.3Å |
| 92 | S | 82.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | trans | -74.8 | -18.6 | 178.7 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | D90 R138 | D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.26Å; D90-S92 WeakPolarHBondContact OD1-CB 3.08Å; D90-S92 PolarHBondContact OD1-N 2.85Å; D90-S92 PolarHBondContact OD1-OG 2.99Å; S92-R138 VanDerWaalsContact O-CB 3.32Å; S92-R138 WeakPolarHBondContact O-CB 3.49Å; S92-R138 PolarHBondContact O-N 2.82Å | ||
| 93 | I | 86.9 | Confident | 84 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.9 | -179.7 | -59.1 | -163.4 | 0 | 0 | 0 | 110.4 | M86 D87 G91 Y95 A135 L136 | M86-I93 HydrophobicContact CB-CD1 3.79Å; D87-I93 HydrophobicContact CB-CD1 3.85Å; D87-I93 HydrophobicContact CB-CG1 4.37Å; G91-I93 VanDerWaalsContact C-N 3.31Å; I93-Y95 HydrophobicContact CG2-CE1 4.17Å; I93-Y95 HydrophobicContact CG2-CE2 4.17Å; I93-A135 HydrophobicContact CG2-CB 3.86Å; I93-L136 CarbonylContact C-O 3.57Å; I93-L136 WeakPolarHBondContact CA-O 3.29Å |
| 94 | K | 88.4 | Confident | 83.9 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.1 | 173.3 | -172.9 | -176.6 | 179.5 | 179.4 | 0 | 109.8 | I96 D110 L136 R138 | K94-I96 HydrophobicContact CD-CD1 4.46Å; K94-I96 HydrophobicContact CD-CG1 4.5Å; K94-I96 HydrophobicContact CG-CG1 4.46Å; K94-D110 VanDerWaalsContact CA-O 3.31Å; K94-D110 WeakPolarHBondContact CA-O 3.49Å; K94-D110 WeakPolarHBondContact CE-OD2 3.41Å; K94-D110 HydrophobicContact CG-CB 3.89Å; K94-L136 PolarHBondContact N-O 3.1Å; K94-L136 PolarHBondContact O-N 3.47Å; K94-R138 HydrophobicContact CB-CB 4.41Å; K94-R138 HydrophobicContact CB-CG 4.39Å |
| 95 | Y | 89.3 | Confident | 84.1 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.3 | 175.1 | -59.1 | -82.8 | 0 | 0 | 0 | 110.9 | S84 D87 I93 D110 A135 | S84-Y95 PolarHBondContact N-OH 2.7Å; D87-Y95 WeakPolarHBondContact CB-OH 3.2Å; D87-Y95 PolarHBondContact OD2-OH 2.94Å; I93-Y95 HydrophobicContact CG2-CE1 4.17Å; I93-Y95 HydrophobicContact CG2-CE2 4.17Å; Y95-D110 PolarHBondContact N-O 3.05Å; Y95-A135 HydrophobicContact CD1-CB 4.22Å; Y95-A135 HydrophobicContact CE1-CB 4.18Å |
| 96 | I | 89.7 | Confident | 84.5 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.2 | 175.9 | -58.4 | -175 | 0 | 0 | 0 | 109.3 | K94 A133 Q134 L136 | K94-I96 HydrophobicContact CD-CD1 4.46Å; K94-I96 HydrophobicContact CD-CG1 4.5Å; K94-I96 HydrophobicContact CG-CG1 4.46Å; I96-A133 WeakPolarHBondContact O-CA 3.41Å; I96-Q134 PolarHBondContact N-O 2.8Å; I96-Q134 PolarHBondContact O-N 2.82Å; I96-L136 HydrophobicContact CD1-CD1 3.49Å; I96-L136 VanDerWaalsContact CD1-CD1 3.49Å; I96-L136 HydrophobicContact CD1-CG 4.38Å; I96-L136 HydrophobicContact CG1-CD1 4.36Å |
| 97 | L | 91.4 | Very high | 85 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.2 | 175.4 | -170.3 | 68.2 | 0 | 0 | 0 | 109.8 | A102 F106 I108 L131 A133 F150 | L97-A102 HydrophobicContact CD2-CB 4.36Å; L97-A102 HydrophobicContact CG-CB 4.08Å; L97-F106 HydrophobicContact CD2-CB 3.91Å; L97-I108 HydrophobicContact CB-CB 4.07Å; L97-I108 HydrophobicContact CB-CG2 3.54Å; L97-L131 HydrophobicContact CD1-CB 4.03Å; L97-L131 HydrophobicContact CD1-CD1 4.32Å; L97-L131 HydrophobicContact CD1-CD2 4.29Å; L97-L131 HydrophobicContact CD1-CG 4.47Å; L97-L131 HydrophobicContact CD2-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.25Å; L97-L131 HydrophobicContact CG-CD2 4.12Å; L97-A133 HydrophobicContact CD1-CB 4.48Å; L97-F150 HydrophobicContact CD1-CE1 3.79Å; L97-F150 HydrophobicContact CD1-CZ 3.55Å |
| 98 | S | 89.3 | Confident | 85.4 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 164.9 | 177.2 | 63 | 0 | 0 | 0 | 0 | 109.9 | L131 R132 | S98-L131 WeakPolarHBondContact O-CD2 3.5Å; S98-R132 PolarHBondContact N-O 3.49Å; S98-R132 PolarHBondContact O-N 3.4Å; S98-R132 VanDerWaalsContact O-O 3.12Å; S98-R132 PolarHBondContact OG-O 3.01Å |
| 99 | G | 87.9 | Confident | 86 | Confident | 48 Ų | 48 | 45.9 Ų | 45.9 | 50% | 0.495 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.8 | -156 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G101 A102 | G99-G101 PolarHBondContact O-N 3.4Å; G99-A102 PolarHBondContact O-N 3.47Å |
| 100 | E | 84.9 | Confident | 86.7 | Confident | 82 Ų | 82 | 44.9 Ų | 44.9 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 115.8 | -170.4 | -58 | -175.4 | 136.7 | 0 | 0 | 111.8 | A102 R126 Y129 T130 L131 | E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 3.39Å; E100-R126 IonicContact OE1-NH2 3.05Å; E100-R126 PolarHBondContact OE1-NH2 2.86Å; E100-R126 IonicContact OE2-CZ 2.97Å; E100-R126 IonicContact OE2-NH2 3.45Å; E100-R126 PolarHBondContact OE2-NH2 3.33Å; E100-Y129 HydrophobicContact CB-CD1 4.3Å; E100-T130 PolarHBondContact N-O 3.19Å; E100-T130 VanDerWaalsContact N-O 3.08Å; E100-T130 PolarHBondContact OE2-N 2.83Å; E100-T130 VanDerWaalsContact OE2-N 3.12Å; E100-L131 WeakPolarHBondContact O-CD2 3.21Å |
| 101 | G | 82.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 4.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G99 G103 I104 V105 F106 | G99-G101 PolarHBondContact O-N 3.4Å; G101-G103 PolarHBondContact O-N 2.94Å; G101-I104 PolarHBondContact O-N 3.21Å; G101-V105 PolarHBondContact O-N 3.07Å; G101-F106 PolarHBondContact O-N 3.42Å |
| 102 | A | 86.8 | Confident | 87.5 | Confident | 26 Ų | 26 | 43.3 Ų | 43.3 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 127.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L97 G99 E100 I104 L131 | L97-A102 HydrophobicContact CD2-CB 4.36Å; L97-A102 HydrophobicContact CG-CB 4.08Å; G99-A102 PolarHBondContact O-N 3.47Å; E100-A102 VanDerWaalsContact C-N 3.28Å; E100-A102 PolarHBondContact O-N 3.39Å; A102-I104 PolarHBondContact O-N 2.74Å; A102-L131 HydrophobicContact CB-CD2 3.81Å |
| 103 | G | 81.9 | Confident | 87.6 | Confident | 57 Ų | 57 | 41.1 Ų | 41.1 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G101 F106 | G101-G103 PolarHBondContact O-N 2.94Å; G103-F106 PolarHBondContact N-O 2.97Å |
| 104 | I | 84.4 | Confident | 87.8 | Confident | 108 Ų | 108 | 42.5 Ų | 42.5 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -53.7 | -179.5 | -58.6 | 173.1 | 0 | 0 | 0 | 110.3 | G101 A102 I118 Q119 | G101-I104 PolarHBondContact O-N 3.21Å; A102-I104 PolarHBondContact O-N 2.74Å; I104-I118 VanDerWaalsContact O-CD1 3.25Å; I104-I118 WeakPolarHBondContact O-CD1 3.46Å; I104-I118 VanDerWaalsContact O-CG1 3.32Å; I104-I118 WeakPolarHBondContact O-CG1 3.27Å; I104-Q119 WeakPolarHBondContact O-CG 3.26Å; I104-Q119 PolarHBondContact O-NE2 3.3Å |
| 105 | V | 87.3 | Confident | 87.9 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -43 | -179 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | G101 A117 I118 L121 | G101-V105 PolarHBondContact O-N 3.07Å; V105-A117 CarbonylContact O-C 3.51Å; V105-A117 VanDerWaalsContact O-CA 3.31Å; V105-A117 WeakPolarHBondContact O-CA 3.3Å; V105-I118 WeakPolarHBondContact O-CG1 3.2Å; V105-I118 PolarHBondContact O-N 3.43Å; V105-L121 HydrophobicContact CG1-CD2 3.36Å |
| 106 | F | 90.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.2 | 179.3 | -58.1 | -77.6 | 0 | 0 | 0 | 111.3 | V79 L97 G101 G103 I115 H116 A117 L121 Y129 L131 I152 | V79-F106 HydrophobicContact CG2-CD1 4.09Å; V79-F106 HydrophobicContact CG2-CE1 4.09Å; L97-F106 HydrophobicContact CD2-CB 3.91Å; G101-F106 PolarHBondContact O-N 3.42Å; G103-F106 PolarHBondContact N-O 2.97Å; F106-I115 HydrophobicContact CB-CG2 4.48Å; F106-H116 CarbonylContact C-O 3.46Å; F106-H116 WeakPolarHBondContact CA-O 3.41Å; F106-A117 HydrophobicContact CD1-CB 3.91Å; F106-A117 HydrophobicContact CE1-CB 3.82Å; F106-L121 HydrophobicContact CE1-CD1 4.12Å; F106-L121 HydrophobicContact CE1-CD2 4.43Å; F106-L121 HydrophobicContact CZ-CD1 4.11Å; F106-L121 HydrophobicContact CZ-CD2 3.93Å; F106-Y129 AromaticContact CE2-CD1 3.96Å; F106-Y129 HydrophobicContact CE2-CD1 3.96Å; F106-Y129 AromaticContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CE1 4.39Å; F106-Y129 HydrophobicContact CE2-CE2 4.21Å; F106-Y129 AromaticContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CZ-CD2 4.04Å; F106-Y129 HydrophobicContact CZ-CE2 4.46Å; F106-Y129 HydrophobicContact CZ-CG 4.33Å; F106-L131 HydrophobicContact CB-CD1 4.21Å; F106-L131 HydrophobicContact CD2-CD1 3.84Å; F106-L131 HydrophobicContact CG-CD1 4.09Å; F106-I152 HydrophobicContact CD1-CD1 3.51Å; F106-I152 HydrophobicContact CD2-CD1 4Å; F106-I152 HydrophobicContact CE1-CD1 3.51Å; F106-I152 HydrophobicContact CE1-CG2 4.04Å; F106-I152 HydrophobicContact CE2-CD1 4Å; F106-I152 HydrophobicContact CG-CD1 3.76Å; F106-I152 HydrophobicContact CZ-CB 4.27Å; F106-I152 HydrophobicContact CZ-CD1 3.77Å; F106-I152 HydrophobicContact CZ-CG2 3.92Å |
| 107 | T | 90.8 | Very high | 87.9 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 150.2 | 173.3 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | I115 H116 I118 | T107-I115 CarbonylContact O-C 3.54Å; T107-I115 VanDerWaalsContact O-CA 3.3Å; T107-I115 WeakPolarHBondContact O-CA 3.16Å; T107-H116 HydrophobicContact CG2-CB 4.1Å; T107-H116 PolarHBondContact N-O 3.41Å; T107-H116 PolarHBondContact O-N 2.88Å; T107-I118 HydrophobicContact CG2-CG2 3.7Å |
| 108 | I | 91.4 | Very high | 87.7 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.4 | 172.8 | -168.4 | 165.4 | 0 | 0 | 0 | 108.8 | L82 L97 D110 D114 I115 | L82-I108 HydrophobicContact CB-CD1 4.47Å; L82-I108 HydrophobicContact CD1-CD1 4.12Å; L97-I108 HydrophobicContact CB-CB 4.07Å; L97-I108 HydrophobicContact CB-CG2 3.54Å; I108-D110 PolarHBondContact O-N 3.45Å; I108-D114 WeakPolarHBondContact CA-O 3.31Å; I108-I115 HydrophobicContact CB-CG1 4.26Å; I108-I115 HydrophobicContact CD1-CD1 4.45Å; I108-I115 HydrophobicContact CD1-CG1 3.88Å; I108-I115 HydrophobicContact CG1-CG1 3.94Å |
| 109 | D | 90.1 | Very high | 87.5 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | trans | -69.2 | 121.6 | 168.7 | 177 | -14.4 | 0 | 0 | 0 | 108.8 | T111 T112 G113 D114 | D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 PolarHBondContact OD1-N 2.82Å; D109-T111 PolarHBondContact OD1-OG1 2.83Å; D109-T112 WeakPolarHBondContact CB-OG1 3.32Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.08Å; D109-T112 PolarHBondContact OD2-OG1 3.43Å; D109-G113 WeakPolarHBondContact O-CA 3.38Å; D109-G113 PolarHBondContact O-N 3.37Å; D109-D114 PolarHBondContact N-O 2.02Å | ||
| 110 | D | 88.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 49.2 Ų | 49.2 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.1 | -172.8 | 87.2 | -34.8 | 0 | 0 | 0 | 113.1 | K94 Y95 I108 R138 | K94-D110 VanDerWaalsContact CA-O 3.31Å; K94-D110 WeakPolarHBondContact CA-O 3.49Å; K94-D110 WeakPolarHBondContact CE-OD2 3.41Å; K94-D110 HydrophobicContact CG-CB 3.89Å; Y95-D110 PolarHBondContact N-O 3.05Å; I108-D110 PolarHBondContact O-N 3.45Å; D110-R138 VanDerWaalsContact CG-NH2 3.32Å; D110-R138 IonicContact OD1-NH2 2.69Å; D110-R138 PolarHBondContact OD1-NH2 3.25Å; D110-R138 VanDerWaalsContact OD1-NH2 3.13Å; D110-R138 IonicContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH2 3.21Å; D110-R138 PolarHBondContact OD2-NH2 3.41Å |
| 111 | T | 85.6 | Confident | 87.5 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -42.2 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | D109 | D109-T111 PolarHBondContact O-N 3.2Å; D109-T111 PolarHBondContact OD1-N 2.82Å; D109-T111 PolarHBondContact OD1-OG1 2.83Å |
| 112 | T | 85.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 47.3 Ų | 47.3 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -28.5 | -174.7 | 61.4 | 0 | 0 | 0 | 0 | 112.1 | K81 D109 D114 | K81-T112 WeakPolarHBondContact CE-O 3.27Å; K81-T112 PolarHBondContact NZ-O 3.45Å; D109-T112 WeakPolarHBondContact CB-OG1 3.32Å; D109-T112 PolarHBondContact OD1-N 2.84Å; D109-T112 WeakPolarHBondContact OD2-CG2 3.08Å; D109-T112 PolarHBondContact OD2-OG1 3.43Å; T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 WeakPolarHBondContact OG1-CB 2.92Å; T112-D114 PolarHBondContact OG1-N 3.43Å; T112-D114 PolarHBondContact OG1-OD2 2.98Å |
| 113 | G | 86.5 | Confident | 88 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 81.6 | 10.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K81 L82 D109 | K81-G113 WeakPolarHBondContact CA-O 3.42Å; L82-G113 PolarHBondContact N-O 3.25Å; D109-G113 WeakPolarHBondContact O-CA 3.38Å; D109-G113 PolarHBondContact O-N 3.37Å | ||
| 114 | D | 89.9 | Confident | 88.4 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.5 | 178.9 | -65.9 | -12.4 | 0 | 0 | 0 | 110.5 | Y78 K81 I108 D109 T112 H116 | Y78-D114 HydrophobicContact CD2-CB 4.3Å; Y78-D114 HydrophobicContact CE2-CB 3.82Å; K81-D114 WeakPolarHBondContact CD-OD1 3.19Å; K81-D114 WeakPolarHBondContact CE-OD1 2.99Å; K81-D114 VanDerWaalsContact CG-OD1 3.23Å; K81-D114 WeakPolarHBondContact CG-OD1 3.44Å; K81-D114 IonicContact NZ-OD1 2.6Å; K81-D114 PolarHBondContact NZ-OD1 2.89Å; I108-D114 WeakPolarHBondContact CA-O 3.31Å; D109-D114 PolarHBondContact N-O 2.02Å; T112-D114 VanDerWaalsContact C-N 3.32Å; T112-D114 WeakPolarHBondContact OG1-CB 2.92Å; T112-D114 PolarHBondContact OG1-N 3.43Å; T112-D114 PolarHBondContact OG1-OD2 2.98Å; D114-H116 PolarHBondContact O-ND1 3.1Å |
| 115 | I | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.1 | 179 | -58.2 | 169.4 | 0 | 0 | 0 | 109 | F65 V79 G80 L82 F106 T107 I108 F150 | F65-I115 HydrophobicContact CE2-CD1 4.12Å; V79-I115 HydrophobicContact CB-CB 4.28Å; V79-I115 HydrophobicContact CB-CG2 4.01Å; V79-I115 HydrophobicContact CG1-CG2 4.37Å; V79-I115 HydrophobicContact CG2-CG2 4.37Å; V79-I115 PolarHBondContact N-O 3.47Å; G80-I115 PolarHBondContact O-N 3.4Å; L82-I115 HydrophobicContact CD1-CD1 3.82Å; L82-I115 HydrophobicContact CG-CD1 3.83Å; F106-I115 HydrophobicContact CB-CG2 4.48Å; T107-I115 CarbonylContact O-C 3.54Å; T107-I115 VanDerWaalsContact O-CA 3.3Å; T107-I115 WeakPolarHBondContact O-CA 3.16Å; I108-I115 HydrophobicContact CB-CG1 4.26Å; I108-I115 HydrophobicContact CD1-CD1 4.45Å; I108-I115 HydrophobicContact CD1-CG1 3.88Å; I108-I115 HydrophobicContact CG1-CG1 3.94Å; I115-F150 HydrophobicContact CD1-CE2 4.11Å; I115-F150 HydrophobicContact CD1-CZ 3.7Å |
| 116 | H | 89.7 | Confident | 88.7 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 22% | 0.218 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142 | 176.3 | -60.4 | 81.7 | 0 | 0 | 0 | 111.3 | P76 L77 Y78 F106 T107 D114 | P76-H116 HydrophobicContact CB-CB 3.65Å; L77-H116 CarbonylContact O-C 3.52Å; L77-H116 WeakPolarHBondContact O-CA 3.28Å; Y78-H116 AromaticContact CD2-NE2 3.72Å; F106-H116 CarbonylContact C-O 3.46Å; F106-H116 WeakPolarHBondContact CA-O 3.41Å; T107-H116 HydrophobicContact CG2-CB 4.1Å; T107-H116 PolarHBondContact N-O 3.41Å; T107-H116 PolarHBondContact O-N 2.88Å; D114-H116 PolarHBondContact O-ND1 3.1Å |
| 117 | A | 89.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | P76 L77 V79 V105 F106 L121 | P76-A117 CarbonylContact C-O 3.55Å; P76-A117 WeakPolarHBondContact CA-O 3.34Å; L77-A117 HydrophobicContact CB-CB 4.26Å; L77-A117 PolarHBondContact N-O 2.02Å; L77-A117 PolarHBondContact O-N 2.86Å; V79-A117 HydrophobicContact CG2-CB 4.08Å; V105-A117 CarbonylContact O-C 3.51Å; V105-A117 VanDerWaalsContact O-CA 3.31Å; V105-A117 WeakPolarHBondContact O-CA 3.3Å; F106-A117 HydrophobicContact CD1-CB 3.91Å; F106-A117 HydrophobicContact CE1-CB 3.82Å; A117-L121 HydrophobicContact CB-CD1 4.14Å |
| 118 | I | 86.3 | Confident | 88.6 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | trans | -107.6 | -2.4 | -176.4 | 53.5 | 166.3 | 0 | 0 | 0 | 112.8 | P76 I104 V105 T107 | P76-I118 HydrophobicContact CB-CG2 4.01Å; P76-I118 HydrophobicContact CG-CG2 4.22Å; I104-I118 VanDerWaalsContact O-CD1 3.25Å; I104-I118 WeakPolarHBondContact O-CD1 3.46Å; I104-I118 VanDerWaalsContact O-CG1 3.32Å; I104-I118 WeakPolarHBondContact O-CG1 3.27Å; V105-I118 WeakPolarHBondContact O-CG1 3.2Å; V105-I118 PolarHBondContact O-N 3.43Å; T107-I118 HydrophobicContact CG2-CG2 3.7Å | ||
| 119 | Q | 85.7 | Confident | 88.6 | Confident | 103 Ų | 103 | 58.8 Ų | 58.8 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -124.5 | 161.2 | 173.7 | -65.9 | -171.5 | 10 | 0 | 0 | 110 | I104 | I104-Q119 WeakPolarHBondContact O-CG 3.26Å; I104-Q119 PolarHBondContact O-NE2 3.3Å |
| 120 | R | 84.9 | Confident | 88.6 | Confident | 171 Ų | 171 | 57.9 Ų | 57.9 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | trans | -66.9 | 138.8 | 169.1 | -64.2 | -172.9 | -176.8 | -171.1 | 0.1 | 109 | ||||
| 121 | L | 88.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | trans | -107.4 | 137.2 | 178.5 | -57.8 | 176.1 | 0 | 0 | 0 | 107 | V67 E69 E70 V105 F106 A117 Y129 I154 | V67-L121 HydrophobicContact CB-CD1 4.16Å; V67-L121 HydrophobicContact CG1-CD1 3.57Å; E69-L121 WeakPolarHBondContact CA-O 3.43Å; E69-L121 WeakPolarHBondContact CB-O 3.34Å; E70-L121 PolarHBondContact N-O 2.85Å; V105-L121 HydrophobicContact CG1-CD2 3.36Å; F106-L121 HydrophobicContact CE1-CD1 4.12Å; F106-L121 HydrophobicContact CE1-CD2 4.43Å; F106-L121 HydrophobicContact CZ-CD1 4.11Å; F106-L121 HydrophobicContact CZ-CD2 3.93Å; A117-L121 HydrophobicContact CB-CD1 4.14Å; L121-Y129 HydrophobicContact CD2-CE2 4.49Å; L121-I154 HydrophobicContact CB-CD1 3.98Å; L121-I154 HydrophobicContact CB-CG1 4.43Å; L121-I154 HydrophobicContact CD1-CD1 4.43Å; L121-I154 HydrophobicContact CD1-CG1 4.31Å; L121-I154 HydrophobicContact CD2-CD1 4.4Å; L121-I154 HydrophobicContact CG-CD1 4.5Å | ||
| 122 | D | 89 | Confident | 88.9 | Confident | 54 Ų | 54 | 58 Ų | 58 | 29% | 0.289 | 27% | 0.271 | S | S | . | . | trans | -130.4 | 121.7 | 176.6 | 171.3 | -16.6 | 0 | 0 | 0 | 106 | E124 E125 R126 | D122-E124 WeakPolarHBondContact OD1-CA 3.48Å; D122-E124 WeakPolarHBondContact OD1-CB 3.04Å; D122-E124 PolarHBondContact OD1-N 3.32Å; D122-E125 HydrophobicContact CB-CB 4.2Å; D122-E125 PolarHBondContact OD1-N 2.85Å; D122-R126 PolarHBondContact O-N 3.36Å; D122-R126 VanDerWaalsContact O-N 3.08Å | ||
| 123 | R | 90.4 | Very high | 89.1 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -34.3 | -175.8 | -164.3 | -139.7 | 65.6 | 154 | 127.9 | 110.9 | E69 E125 R126 S127 I154 D156 A191 D192 D193 | E69-R123 WeakPolarHBondContact OE2-CB 3.45Å; E69-R123 PolarHBondContact OE2-N 2.85Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 PolarHBondContact O-N 3.33Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 3.41Å; R123-S127 PolarHBondContact O-N 2.89Å; R123-I154 HydrophobicContact CB-CB 4.35Å; R123-I154 HydrophobicContact CB-CG2 3.75Å; R123-I154 HydrophobicContact CG-CB 4.16Å; R123-I154 HydrophobicContact CG-CG2 4.04Å; R123-D156 IonicContact CZ-OD1 3.25Å; R123-D156 IonicContact NE-OD1 3.82Å; R123-D156 PolarHBondContact NE-OD1 2.92Å; R123-D156 IonicContact NH1-OD1 3.13Å; R123-D156 PolarHBondContact NH1-OD1 3.12Å; R123-A191 PolarHBondContact NH1-O 2.93Å; R123-D192 VanDerWaalsContact NH1-CA 3.31Å; R123-D193 VanDerWaalsContact NH1-CA 3.3Å; R123-D193 VanDerWaalsContact NH2-CG 3.29Å; R123-D193 IonicContact NH2-OD2 2.79Å; R123-D193 PolarHBondContact NH2-OD2 3.21Å |
| 124 | E | 89.8 | Confident | 89.2 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 28% | 0.28 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -33 | 178.1 | -73.5 | 55.5 | -106.8 | 0 | 0 | 110.6 | D122 A191 | D122-E124 WeakPolarHBondContact OD1-CA 3.48Å; D122-E124 WeakPolarHBondContact OD1-CB 3.04Å; D122-E124 PolarHBondContact OD1-N 3.32Å; E124-A191 HydrophobicContact CG-CB 4.01Å |
| 125 | E | 88.8 | Confident | 89.2 | Confident | 164 Ų | 164 | 58.1 Ų | 58.1 | 77% | 0.766 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -50 | 168 | -171.5 | 179.2 | -176.7 | 0 | 0 | 111.3 | D122 R123 | D122-E125 HydrophobicContact CB-CB 4.2Å; D122-E125 PolarHBondContact OD1-N 2.85Å; R123-E125 VanDerWaalsContact C-N 3.27Å; R123-E125 PolarHBondContact O-N 3.33Å |
| 126 | R | 88.4 | Confident | 89.1 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 35% | 0.347 | 28% | 0.277 | S | S | . | . | trans | -154.1 | 114.7 | -178.6 | -169.7 | 166.3 | -179.7 | 160.7 | 10.6 | 113.4 | E100 D122 R123 Q128 Y129 I154 | E100-R126 IonicContact OE1-NH2 3.05Å; E100-R126 PolarHBondContact OE1-NH2 2.86Å; E100-R126 IonicContact OE2-CZ 2.97Å; E100-R126 IonicContact OE2-NH2 3.45Å; E100-R126 PolarHBondContact OE2-NH2 3.33Å; D122-R126 PolarHBondContact O-N 3.36Å; D122-R126 VanDerWaalsContact O-N 3.08Å; R123-R126 CarbonylContact O-C 3.49Å; R123-R126 PolarHBondContact O-N 3.41Å; R126-Q128 PolarHBondContact NE-O 2.6Å; R126-Y129 HydrophobicContact CB-CE2 4.37Å; R126-Y129 HydrophobicContact CG-CE2 4.13Å; R126-I154 WeakPolarHBondContact O-CD1 3.36Å | ||
| 127 | S | 88.3 | Confident | 88.9 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -80.4 | -19.5 | -174.5 | 60.2 | 0 | 0 | 0 | 0 | 116.7 | R123 I154 | R123-S127 PolarHBondContact O-N 2.89Å; S127-I154 PolarHBondContact O-N 2.84Å |
| 128 | Q | 91.6 | Very high | 88.6 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 152.1 | 177.7 | 64.6 | 176.7 | 27.8 | 0 | 0 | 113.7 | R126 I151 I152 | R126-Q128 PolarHBondContact NE-O 2.6Å; Q128-I151 HydrophobicContact CB-CG2 3.94Å; Q128-I152 WeakPolarHBondContact CA-O 2.97Å |
| 129 | Y | 91.3 | Very high | 88.5 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 9% | 0.09 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.7 | 175.6 | -69.8 | -95.2 | 0 | 0 | 0 | 110.4 | E100 F106 L121 R126 I151 I152 I154 | E100-Y129 HydrophobicContact CB-CD1 4.3Å; F106-Y129 AromaticContact CE2-CD1 3.96Å; F106-Y129 HydrophobicContact CE2-CD1 3.96Å; F106-Y129 AromaticContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CD2 3.73Å; F106-Y129 HydrophobicContact CE2-CE1 4.39Å; F106-Y129 HydrophobicContact CE2-CE2 4.21Å; F106-Y129 AromaticContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CE2-CG 3.6Å; F106-Y129 HydrophobicContact CZ-CD2 4.04Å; F106-Y129 HydrophobicContact CZ-CE2 4.46Å; F106-Y129 HydrophobicContact CZ-CG 4.33Å; L121-Y129 HydrophobicContact CD2-CE2 4.49Å; R126-Y129 HydrophobicContact CB-CE2 4.37Å; R126-Y129 HydrophobicContact CG-CE2 4.13Å; Y129-I151 CarbonylContact O-C 3.56Å; Y129-I151 VanDerWaalsContact O-CA 3.3Å; Y129-I151 WeakPolarHBondContact O-CA 3.43Å; Y129-I152 PolarHBondContact N-O 3.48Å; Y129-I152 PolarHBondContact O-N 2.96Å; Y129-I154 HydrophobicContact CD2-CD1 3.94Å; Y129-I154 HydrophobicContact CE2-CD1 3.49Å; Y129-I154 VanDerWaalsContact CE2-CD1 3.49Å |
| 130 | T | 91.3 | Very high | 88.3 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.5 | 174.6 | -50.6 | 0 | 0 | 0 | 0 | 110 | E100 E149 | E100-T130 PolarHBondContact N-O 3.19Å; E100-T130 VanDerWaalsContact N-O 3.08Å; E100-T130 PolarHBondContact OE2-N 2.83Å; E100-T130 VanDerWaalsContact OE2-N 3.12Å; T130-E149 HydrophobicContact CG2-CG 3.7Å; T130-E149 WeakPolarHBondContact CG2-OE1 3.26Å |
| 131 | L | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.2 | -175.1 | -74.1 | 166.4 | 0 | 0 | 0 | 111.3 | L97 S98 E100 A102 F106 E149 F150 I152 | L97-L131 HydrophobicContact CD1-CB 4.03Å; L97-L131 HydrophobicContact CD1-CD1 4.32Å; L97-L131 HydrophobicContact CD1-CD2 4.29Å; L97-L131 HydrophobicContact CD1-CG 4.47Å; L97-L131 HydrophobicContact CD2-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD2 4.25Å; L97-L131 HydrophobicContact CG-CD2 4.12Å; S98-L131 WeakPolarHBondContact O-CD2 3.5Å; E100-L131 WeakPolarHBondContact O-CD2 3.21Å; A102-L131 HydrophobicContact CB-CD2 3.81Å; F106-L131 HydrophobicContact CB-CD1 4.21Å; F106-L131 HydrophobicContact CD2-CD1 3.84Å; F106-L131 HydrophobicContact CG-CD1 4.09Å; L131-E149 CarbonylContact O-C 3.59Å; L131-E149 WeakPolarHBondContact O-CA 3.37Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 4Å; L131-F150 HydrophobicContact CB-CE2 3.96Å; L131-F150 HydrophobicContact CB-CZ 3.72Å; L131-F150 HydrophobicContact CD1-CE2 4.12Å; L131-F150 HydrophobicContact CD1-CZ 4.18Å; L131-F150 PolarHBondContact N-O 3.38Å; L131-F150 PolarHBondContact O-N 2.84Å; L131-I152 HydrophobicContact CD1-CD1 3.31Å; L131-I152 HydrophobicContact CD1-CG1 3.94Å |
| 132 | R | 90.3 | Very high | 87.9 | Confident | 108 Ų | 108 | 70.7 Ų | 70.7 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.2 | 179.4 | -63.1 | -179.2 | -176.2 | 179.3 | 1 | 109.8 | S98 E147 S148 E149 | S98-R132 PolarHBondContact N-O 3.49Å; S98-R132 PolarHBondContact O-N 3.4Å; S98-R132 VanDerWaalsContact O-O 3.12Å; S98-R132 PolarHBondContact OG-O 3.01Å; R132-E147 HydrophobicContact CB-CG 4Å; R132-E147 WeakPolarHBondContact CB-OE1 3.29Å; R132-E147 WeakPolarHBondContact CD-OE1 3.31Å; R132-S148 WeakPolarHBondContact CA-O 2.96Å; R132-E149 HydrophobicContact CG-CB 4.12Å; R132-E149 HydrophobicContact CG-CG 4.14Å; R132-E149 IonicContact CZ-OE1 3.05Å; R132-E149 IonicContact NE-OE1 2.75Å; R132-E149 PolarHBondContact NE-OE1 2.83Å; R132-E149 IonicContact NH2-OE1 3.48Å; R132-E149 PolarHBondContact NH2-OE1 3.03Å |
| 133 | A | 88.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L82 I96 L97 S148 F150 | L82-A133 HydrophobicContact CD1-CB 3.16Å; I96-A133 WeakPolarHBondContact O-CA 3.41Å; L97-A133 HydrophobicContact CD1-CB 4.48Å; A133-S148 PolarHBondContact N-O 2.86Å; A133-S148 PolarHBondContact O-N 2.9Å; A133-F150 HydrophobicContact CB-CD1 4.44Å; A133-F150 HydrophobicContact CB-CE1 3.82Å |
| 134 | Q | 88.8 | Confident | 87.4 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 135.4 | 176.7 | -169 | 170.7 | 54.9 | 0 | 0 | 110.4 | I96 L136 P143 | I96-Q134 PolarHBondContact N-O 2.8Å; I96-Q134 PolarHBondContact O-N 2.82Å; Q134-L136 HydrophobicContact CG-CD2 3.85Å; Q134-P143 HydrophobicContact CG-CB 4.39Å |
| 135 | A | 89.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 73 Ų | 73 | 6% | 0.058 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | I93 Y95 M144 E145 | I93-A135 HydrophobicContact CG2-CB 3.86Å; Y95-A135 HydrophobicContact CD1-CB 4.22Å; Y95-A135 HydrophobicContact CE1-CB 4.18Å; A135-M144 PolarHBondContact O-N 3.01Å; A135-E145 HydrophobicContact CB-CB 4.19Å; A135-E145 HydrophobicContact CB-CG 4.15Å |
| 136 | L | 88.9 | Confident | 86.9 | Confident | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.1 | 179.9 | -57.4 | -177 | 0 | 0 | 0 | 110.7 | I93 K94 I96 Q134 R138 R142 P143 | I93-L136 CarbonylContact C-O 3.57Å; I93-L136 WeakPolarHBondContact CA-O 3.29Å; K94-L136 PolarHBondContact N-O 3.1Å; K94-L136 PolarHBondContact O-N 3.47Å; I96-L136 HydrophobicContact CD1-CD1 3.49Å; I96-L136 VanDerWaalsContact CD1-CD1 3.49Å; I96-L136 HydrophobicContact CD1-CG 4.38Å; I96-L136 HydrophobicContact CG1-CD1 4.36Å; Q134-L136 HydrophobicContact CG-CD2 3.85Å; L136-R138 PolarHBondContact O-N 3.04Å; L136-R142 CarbonylContact C-O 3.53Å; L136-R142 WeakPolarHBondContact CA-O 3.39Å; L136-P143 HydrophobicContact CD2-CB 3.97Å |
| 137 | D | 86.7 | Confident | 86.8 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 19% | 0.187 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125 | 166.1 | 167 | -9.4 | 0 | 0 | 0 | 109.5 | R139 T140 G141 R142 M144 | D137-R139 PolarHBondContact O-N 2.81Å; D137-R139 WeakPolarHBondContact OD1-CA 3.37Å; D137-R139 WeakPolarHBondContact OD1-CB 3.25Å; D137-R139 PolarHBondContact OD1-N 2.8Å; D137-T140 WeakPolarHBondContact CB-OG1 3.43Å; D137-T140 PolarHBondContact O-N 3.46Å; D137-T140 PolarHBondContact OD1-N 3.28Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T140 PolarHBondContact OD2-OG1 3.34Å; D137-G141 VanDerWaalsContact O-CA 3.27Å; D137-G141 WeakPolarHBondContact O-CA 3.3Å; D137-G141 PolarHBondContact O-N 2.92Å; D137-R142 PolarHBondContact N-O 2.83Å; D137-M144 HydrophobicContact CB-CE 3.31Å; D137-M144 HydrophobicContact CB-CG 3.76Å; D137-M144 HydrophobicContact CB-SD 4Å |
| 138 | R | 83.6 | Confident | 86.6 | Confident | 118 Ų | 118 | 70 Ų | 70 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.8 | -174.3 | -160.4 | 168.2 | -141 | -160.5 | 6.2 | 113.4 | G91 S92 K94 D110 L136 | G91-R138 WeakPolarHBondContact O-CD 3.3Å; S92-R138 VanDerWaalsContact O-CB 3.32Å; S92-R138 WeakPolarHBondContact O-CB 3.49Å; S92-R138 PolarHBondContact O-N 2.82Å; K94-R138 HydrophobicContact CB-CB 4.41Å; K94-R138 HydrophobicContact CB-CG 4.39Å; D110-R138 VanDerWaalsContact CG-NH2 3.32Å; D110-R138 IonicContact OD1-NH2 2.69Å; D110-R138 PolarHBondContact OD1-NH2 3.25Å; D110-R138 VanDerWaalsContact OD1-NH2 3.13Å; D110-R138 IonicContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH2 3.21Å; D110-R138 PolarHBondContact OD2-NH2 3.41Å; L136-R138 PolarHBondContact O-N 3.04Å |
| 139 | R | 82.6 | Confident | 86.4 | Confident | 220 Ų | 220 | 70.2 Ų | 70.2 | 83% | 0.83 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -35.8 | -179.5 | -167.4 | -174.9 | 68.5 | 110.1 | 2.2 | 112.4 | D137 | D137-R139 PolarHBondContact O-N 2.81Å; D137-R139 WeakPolarHBondContact OD1-CA 3.37Å; D137-R139 WeakPolarHBondContact OD1-CB 3.25Å; D137-R139 PolarHBondContact OD1-N 2.8Å |
| 140 | T | 82.6 | Confident | 86.3 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 36% | 0.356 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -14.7 | -173.5 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | D137 R142 | D137-T140 WeakPolarHBondContact CB-OG1 3.43Å; D137-T140 PolarHBondContact O-N 3.46Å; D137-T140 PolarHBondContact OD1-N 3.28Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.3Å; D137-T140 PolarHBondContact OD2-OG1 3.34Å; T140-R142 PolarHBondContact O-N 2.85Å |
| 141 | G | 80.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 70 Ų | 70 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | trans | 66.6 | 9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D137 | D137-G141 VanDerWaalsContact O-CA 3.27Å; D137-G141 WeakPolarHBondContact O-CA 3.3Å; D137-G141 PolarHBondContact O-N 2.92Å | ||
| 142 | R | 85.1 | Confident | 86.2 | Confident | 173 Ų | 173 | 70 Ų | 70 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | trans | -83.4 | 142.8 | -177.7 | -67.6 | -176.5 | 179.3 | -171.4 | -0.6 | 110.6 | L136 D137 T140 M144 | L136-R142 CarbonylContact C-O 3.53Å; L136-R142 WeakPolarHBondContact CA-O 3.39Å; D137-R142 PolarHBondContact N-O 2.83Å; T140-R142 PolarHBondContact O-N 2.85Å; R142-M144 HydrophobicContact CB-CE 3.84Å; R142-M144 PolarHBondContact O-N 2.75Å | ||
| 143 | P | 84.8 | Confident | 86.2 | Confident | 79 Ų | 79 | 68.4 Ų | 68.4 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | B | Isolated β-bridge | trans | -65 | 122 | 174 | 27.2 | -32.8 | 0 | 0 | 0 | 109.9 | Q134 L136 | Q134-P143 HydrophobicContact CG-CB 4.39Å; L136-P143 HydrophobicContact CD2-CB 3.97Å |
| 144 | M | 84.1 | Confident | 86.2 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 32% | 0.315 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -89.7 | -26.9 | 176.2 | -67 | -64.7 | 130.4 | 0 | 0 | 110.9 | M86 A135 D137 R142 | M86-M144 HydrophobicContact SD-CB 4.25Å; A135-M144 PolarHBondContact O-N 3.01Å; D137-M144 HydrophobicContact CB-CE 3.31Å; D137-M144 HydrophobicContact CB-CG 3.76Å; D137-M144 HydrophobicContact CB-SD 4Å; R142-M144 HydrophobicContact CB-CE 3.84Å; R142-M144 PolarHBondContact O-N 2.75Å |
| 145 | E | 83.8 | Confident | 86.1 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 24% | 0.243 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -125.1 | 154.6 | 174.5 | -65.1 | -68.2 | -178.8 | 0 | 0 | 110.8 | S84 A135 | S84-E145 WeakPolarHBondContact OG-CG 3.43Å; S84-E145 PolarHBondContact OG-OE1 2.82Å; A135-E145 HydrophobicContact CB-CB 4.19Å; A135-E145 HydrophobicContact CB-CG 4.15Å |
| 146 | P | 84 | Confident | 86.1 | Confident | 103 Ų | 103 | 67.6 Ų | 67.6 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | trans | -62 | 151.8 | 169.1 | 28.6 | -34.1 | 0 | 0 | 0 | 110.8 | S148 | P146-S148 PolarHBondContact O-N 2.85Š| ||
| 147 | E | 85.9 | Confident | 86 | Confident | 97 Ų | 97 | 69.5 Ų | 69.5 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | trans | -62.4 | 131.7 | 173.2 | -172.2 | 179.3 | -153.7 | 0 | 0 | 109.9 | R132 | R132-E147 HydrophobicContact CB-CG 4Å; R132-E147 WeakPolarHBondContact CB-OE1 3.29Å; R132-E147 WeakPolarHBondContact CD-OE1 3.31Å | ||
| 148 | S | 85.2 | Confident | 86 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 41% | 0.413 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.4 | -177.7 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | R132 A133 P146 | R132-S148 WeakPolarHBondContact CA-O 2.96Å; A133-S148 PolarHBondContact N-O 2.86Å; A133-S148 PolarHBondContact O-N 2.9Å; P146-S148 PolarHBondContact O-N 2.85Å |
| 149 | E | 87.7 | Confident | 86.2 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.9 | 175.7 | -173.6 | 165.7 | -119.1 | 0 | 0 | 110.8 | N63 T130 L131 R132 | N63-E149 WeakPolarHBondContact CB-O 3.37Å; N63-E149 PolarHBondContact ND2-O 3.06Å; T130-E149 HydrophobicContact CG2-CG 3.7Å; T130-E149 WeakPolarHBondContact CG2-OE1 3.26Å; L131-E149 CarbonylContact O-C 3.59Å; L131-E149 WeakPolarHBondContact O-CA 3.37Å; R132-E149 HydrophobicContact CG-CB 4.12Å; R132-E149 HydrophobicContact CG-CG 4.14Å; R132-E149 IonicContact CZ-OE1 3.05Å; R132-E149 IonicContact NE-OE1 2.75Å; R132-E149 PolarHBondContact NE-OE1 2.83Å; R132-E149 IonicContact NH2-OE1 3.48Å; R132-E149 PolarHBondContact NH2-OE1 3.03Å |
| 150 | F | 87.4 | Confident | 86.5 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 157.6 | 177 | 69.4 | -86.9 | 0 | 0 | 0 | 111.5 | N63 F65 L82 L97 I115 L131 A133 I152 | N63-F150 HydrophobicContact CB-CB 4.08Å; N63-F150 CarbonylContact O-C 3.6Å; N63-F150 WeakPolarHBondContact O-CA 3.15Å; F65-F150 AromaticContact CD2-CD2 3.44Å; F65-F150 HydrophobicContact CD2-CD2 3.44Å; F65-F150 VanDerWaalsContact CD2-CD2 3.44Å; F65-F150 AromaticContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CE2 3.55Å; F65-F150 HydrophobicContact CD2-CG 4.38Å; F65-F150 AromaticContact CE2-CD2 3.59Å; F65-F150 HydrophobicContact CE2-CD2 3.59Å; F65-F150 AromaticContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CE2 3.66Å; F65-F150 HydrophobicContact CE2-CG 4.17Å; F65-F150 HydrophobicContact CE2-CZ 4.32Å; L82-F150 HydrophobicContact CD1-CE1 3.86Å; L82-F150 HydrophobicContact CD1-CZ 4.26Å; L97-F150 HydrophobicContact CD1-CE1 3.79Å; L97-F150 HydrophobicContact CD1-CZ 3.55Å; I115-F150 HydrophobicContact CD1-CE2 4.11Å; I115-F150 HydrophobicContact CD1-CZ 3.7Å; L131-F150 HydrophobicContact CB-CD2 4.46Å; L131-F150 HydrophobicContact CB-CE1 4Å; L131-F150 HydrophobicContact CB-CE2 3.96Å; L131-F150 HydrophobicContact CB-CZ 3.72Å; L131-F150 HydrophobicContact CD1-CE2 4.12Å; L131-F150 HydrophobicContact CD1-CZ 4.18Å; L131-F150 PolarHBondContact N-O 3.38Å; L131-F150 PolarHBondContact O-N 2.84Å; A133-F150 HydrophobicContact CB-CD1 4.44Å; A133-F150 HydrophobicContact CB-CE1 3.82Å; F150-I152 HydrophobicContact CD2-CG1 4.26Å; F150-I152 HydrophobicContact CE2-CD1 4.15Å; F150-I152 HydrophobicContact CE2-CG1 3.84Å |
| 151 | I | 90.5 | Very high | 86.9 | Confident | 51 Ų | 51 | 60 Ų | 60 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 134 | -176.4 | -57.8 | 173.2 | 0 | 0 | 0 | 108.5 | N63 Q64 F65 Q128 Y129 K153 | N63-I151 PolarHBondContact O-N 3.45Å; Q64-I151 CarbonylContact C-O 3.54Å; Q64-I151 WeakPolarHBondContact CA-O 3.43Å; F65-I151 PolarHBondContact N-O 2.82Å; Q128-I151 HydrophobicContact CB-CG2 3.94Å; Y129-I151 CarbonylContact O-C 3.56Å; Y129-I151 VanDerWaalsContact O-CA 3.3Å; Y129-I151 WeakPolarHBondContact O-CA 3.43Å; I151-K153 HydrophobicContact CG2-CG 3.93Å |
| 152 | I | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.7 | 163.1 | -57.7 | 178.3 | 0 | 0 | 0 | 106.4 | F65 V67 V79 F106 Q128 Y129 L131 F150 | F65-I152 HydrophobicContact CB-CG1 4.34Å; V67-I152 HydrophobicContact CB-CG2 4.3Å; V67-I152 HydrophobicContact CG2-CG2 3.61Å; V79-I152 HydrophobicContact CG1-CD1 4.03Å; V79-I152 HydrophobicContact CG1-CG1 4.38Å; V79-I152 HydrophobicContact CG1-CG2 4.36Å; F106-I152 HydrophobicContact CD1-CD1 3.51Å; F106-I152 HydrophobicContact CD2-CD1 4Å; F106-I152 HydrophobicContact CE1-CD1 3.51Å; F106-I152 HydrophobicContact CE1-CG2 4.04Å; F106-I152 HydrophobicContact CE2-CD1 4Å; F106-I152 HydrophobicContact CG-CD1 3.76Å; F106-I152 HydrophobicContact CZ-CB 4.27Å; F106-I152 HydrophobicContact CZ-CD1 3.77Å; F106-I152 HydrophobicContact CZ-CG2 3.92Å; Q128-I152 WeakPolarHBondContact CA-O 2.97Å; Y129-I152 PolarHBondContact N-O 3.48Å; Y129-I152 PolarHBondContact O-N 2.96Å; L131-I152 HydrophobicContact CD1-CD1 3.31Å; L131-I152 HydrophobicContact CD1-CG1 3.94Å; F150-I152 HydrophobicContact CD2-CG1 4.26Å; F150-I152 HydrophobicContact CE2-CD1 4.15Å; F150-I152 HydrophobicContact CE2-CG1 3.84Å |
| 153 | K | 89.3 | Confident | 87.9 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 33% | 0.326 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 129.4 | 173.5 | -71.2 | -169.1 | 172.2 | -173.6 | 0 | 109.3 | F65 F66 V67 I151 | F65-K153 PolarHBondContact O-N 2.85Å; F66-K153 WeakPolarHBondContact CA-O 3.3Å; F66-K153 HydrophobicContact CD1-CB 3.83Å; F66-K153 HydrophobicContact CE1-CB 3.93Å; F66-K153 HydrophobicContact CE1-CD 3.88Å; F66-K153 HydrophobicContact CE1-CG 4.45Å; F66-K153 HydrophobicContact CZ-CD 4.48Å; V67-K153 PolarHBondContact N-O 3.08Å; I151-K153 HydrophobicContact CG2-CG 3.93Å |
| 154 | I | 90.1 | Very high | 88.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.1 | 175 | -64.8 | 164.2 | 0 | 0 | 0 | 108.2 | V67 E69 L121 R123 R126 S127 Y129 | V67-I154 CarbonylContact O-C 3.55Å; V67-I154 VanDerWaalsContact O-CA 3.27Å; V67-I154 WeakPolarHBondContact O-CA 3.19Å; E69-I154 HydrophobicContact CB-CG2 3.68Å; L121-I154 HydrophobicContact CB-CD1 3.98Å; L121-I154 HydrophobicContact CB-CG1 4.43Å; L121-I154 HydrophobicContact CD1-CD1 4.43Å; L121-I154 HydrophobicContact CD1-CG1 4.31Å; L121-I154 HydrophobicContact CD2-CD1 4.4Å; L121-I154 HydrophobicContact CG-CD1 4.5Å; R123-I154 HydrophobicContact CB-CB 4.35Å; R123-I154 HydrophobicContact CB-CG2 3.75Å; R123-I154 HydrophobicContact CG-CB 4.16Å; R123-I154 HydrophobicContact CG-CG2 4.04Å; R126-I154 WeakPolarHBondContact O-CD1 3.36Å; S127-I154 PolarHBondContact O-N 2.84Å; Y129-I154 HydrophobicContact CD2-CD1 3.94Å; Y129-I154 HydrophobicContact CE2-CD1 3.49Å; Y129-I154 VanDerWaalsContact CE2-CD1 3.49Å |
| 155 | Q | 87.1 | Confident | 88.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.5 | 176.1 | -74.2 | -175 | -26 | 0 | 0 | 109.4 | F66 V67 L68 E69 Y196 | F66-Q155 HydrophobicContact CB-CG 4.12Å; F66-Q155 HydrophobicContact CD1-CG 4.1Å; V67-Q155 PolarHBondContact O-N 2.88Å; L68-Q155 HydrophobicContact CD2-CB 3.7Å; L68-Q155 HydrophobicContact CG-CB 4.39Å; E69-Q155 PolarHBondContact N-O 2.85Å; E69-Q155 VanDerWaalsContact N-O 3.16Å; Q155-Y196 HydrophobicContact CB-CE1 4.4Å; Q155-Y196 HydrophobicContact CB-CE2 4.44Å; Q155-Y196 VanDerWaalsContact CD-OH 3.23Å; Q155-Y196 HydrophobicContact CG-CE2 4.09Å; Q155-Y196 PolarHBondContact NE2-OH 3.49Å; Q155-Y196 PolarHBondContact OE1-OH 3.33Å |
| 156 | D | 87.8 | Confident | 88 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 141.1 | -178.3 | -169.5 | 88.7 | 0 | 0 | 0 | 112.4 | E69 R123 D193 Y196 S199 | E69-D156 WeakPolarHBondContact OE1-CA 3.33Å; R123-D156 IonicContact CZ-OD1 3.25Å; R123-D156 IonicContact NE-OD1 3.82Å; R123-D156 PolarHBondContact NE-OD1 2.92Å; R123-D156 IonicContact NH1-OD1 3.13Å; R123-D156 PolarHBondContact NH1-OD1 3.12Å; D156-D193 HydrophobicContact CB-CB 3.77Å; D156-D193 VanDerWaalsContact CG-N 3.29Å; D156-D193 WeakPolarHBondContact OD1-CB 3.32Å; D156-D193 PolarHBondContact OD1-N 2.88Å; D156-D193 PolarHBondContact OD2-N 3.12Å; D156-Y196 HydrophobicContact CB-CD1 3.82Å; D156-Y196 HydrophobicContact CB-CG 4.21Å; D156-Y196 WeakPolarHBondContact O-CD1 3.46Å; D156-Y196 WeakPolarHBondContact O-CE1 3.4Å; D156-S199 WeakPolarHBondContact OD2-CB 3.24Å; D156-S199 PolarHBondContact OD2-OG 3.36Å |
| 157 | I | 87.1 | Confident | 87.8 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | trans | -122.1 | 141.1 | 168.8 | -66.1 | 178.3 | 0 | 0 | 0 | 106.6 | L68 E69 D159 | L68-I157 HydrophobicContact CB-CD1 4.44Å; L68-I157 HydrophobicContact CD2-CG1 4.36Å; E69-I157 HydrophobicContact CG-CB 3.91Å; E69-I157 HydrophobicContact CG-CD1 3.99Å; E69-I157 HydrophobicContact CG-CG1 3.91Å; E69-I157 WeakPolarHBondContact O-CD1 3.26Å; E69-I157 PolarHBondContact OE1-N 3.31Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 2.79Å | ||
| 158 | N | 87.2 | Confident | 87.9 | Confident | 29 Ų | 29 | 55.6 Ų | 55.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -76.3 | 80.3 | -179.4 | -170.9 | 105.8 | 0 | 0 | 0 | 112 | D192 S199 D245 M246 | N158-D192 VanDerWaalsContact CA-OD2 3.22Å; N158-D192 WeakPolarHBondContact CA-OD2 3.3Å; N158-S199 VanDerWaalsContact OD1-CA 3.25Å; N158-S199 WeakPolarHBondContact OD1-CA 3.12Å; N158-S199 PolarHBondContact OD1-O 2.92Å; N158-D245 PolarHBondContact ND2-OD2 3.02Å; N158-D245 PolarHBondContact OD1-OD2 3.44Å; N158-M246 HydrophobicContact CB-CE 3.48Å; N158-M246 VanDerWaalsContact CB-CE 3.48Å |
| 159 | D | 86.8 | Confident | 88.3 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | trans | -113.3 | -8.7 | -177.3 | 75 | -27 | 0 | 0 | 0 | 113.8 | I157 D192 | I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 2.79Å; D159-D192 PolarHBondContact N-OD2 2.87Å | ||
| 160 | N | 89.6 | Confident | 88.7 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 136.6 | 171.3 | -63.5 | -84.5 | 0 | 0 | 0 | 111.7 | A191 D192 | N160-A191 HydrophobicContact CB-CB 3.96Å; N160-D192 VanDerWaalsContact CB-OD1 3.27Å; N160-D192 WeakPolarHBondContact CB-OD1 3.48Å; N160-D192 PolarHBondContact N-OD1 2.77Å; N160-D192 PolarHBondContact ND2-OD1 2.9Å |
| 161 | E | 91.1 | Very high | 89 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 150.7 | 172.4 | 69 | -177.2 | -178.9 | 0 | 0 | 111.7 | K163 L253 | E161-K163 PolarHBondContact O-N 2.92Å; E161-L253 HydrophobicContact CB-CB 3.65Å; E161-L253 HydrophobicContact CB-CD1 4.28Å |
| 162 | P | 93.7 | Very high | 89.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 129.6 | 175.1 | -22.9 | 30.6 | 0 | 0 | 0 | 112.1 | A188 D190 V202 A243 D245 G255 | P162-A188 HydrophobicContact CB-CB 4.28Å; P162-D190 WeakPolarHBondContact CD-OD2 3.37Å; P162-D190 VanDerWaalsContact CG-OD2 3.32Å; P162-D190 WeakPolarHBondContact CG-OD2 3.41Å; P162-V202 HydrophobicContact CB-CG1 4.3Å; P162-V202 HydrophobicContact CB-CG2 3.98Å; P162-V202 HydrophobicContact CG-CG1 4.47Å; P162-V202 HydrophobicContact CG-CG2 3.99Å; P162-A243 HydrophobicContact CB-CB 3.91Å; P162-D245 HydrophobicContact CG-CB 3.75Å; P162-G255 WeakPolarHBondContact O-CA 3.49Å |
| 163 | K | 92.4 | Very high | 89.5 | Confident | 122 Ų | 122 | 56.2 Ų | 56.2 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.4 | 179.3 | -69.5 | 173.2 | -173.1 | 165.6 | 0 | 111.7 | E161 A188 T189 | E161-K163 PolarHBondContact O-N 2.92Å; K163-A188 CarbonylContact O-C 3.54Å; K163-A188 VanDerWaalsContact O-CA 3.22Å; K163-A188 WeakPolarHBondContact O-CA 3.29Å; K163-T189 PolarHBondContact N-O 2.77Å; K163-T189 PolarHBondContact O-N 3Å |
| 164 | F | 92.6 | Very high | 89.7 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.6 | 173.6 | -69.4 | -86.4 | 0 | 0 | 0 | 110.9 | Y169 V186 A188 Y204 I241 A243 T257 | F164-Y169 HydrophobicContact CB-CE2 4.44Å; F164-Y169 HydrophobicContact CD1-CE2 4.34Å; F164-V186 HydrophobicContact CD1-CB 4.43Å; F164-V186 HydrophobicContact CE1-CB 4.22Å; F164-V186 HydrophobicContact CE1-CG2 4.06Å; F164-A188 HydrophobicContact CD1-CB 3.83Å; F164-A188 HydrophobicContact CD2-CB 4.38Å; F164-A188 HydrophobicContact CE1-CB 3.88Å; F164-A188 HydrophobicContact CE2-CB 4.41Å; F164-A188 HydrophobicContact CG-CB 4.1Å; F164-A188 HydrophobicContact CZ-CB 4.17Å; F164-Y204 HydrophobicContact CE1-CD1 4.24Å; F164-Y204 AromaticContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CZ-CD1 4.41Å; F164-Y204 HydrophobicContact CZ-CE1 4.35Å; F164-I241 HydrophobicContact CE1-CG2 4.39Å; F164-I241 HydrophobicContact CZ-CG2 4.07Å; F164-A243 HydrophobicContact CE1-CB 4.18Å; F164-A243 HydrophobicContact CE2-CB 3.67Å; F164-A243 HydrophobicContact CZ-CB 3.39Å; F164-T257 HydrophobicContact CB-CG2 4.41Å; F164-T257 HydrophobicContact CD1-CG2 3.56Å; F164-T257 HydrophobicContact CD2-CG2 3.74Å; F164-T257 HydrophobicContact CE1-CG2 3.58Å; F164-T257 HydrophobicContact CE2-CG2 3.77Å; F164-T257 HydrophobicContact CG-CG2 3.63Å; F164-T257 HydrophobicContact CZ-CG2 3.68Å |
| 165 | L | 81.9 | Confident | 89.8 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 56% | 0.56 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -79.3 | -42.7 | -174.5 | -62.8 | 172.3 | 0 | 0 | 0 | 113.2 | T187 T189 | L165-T187 PolarHBondContact N-O 3.08Å; L165-T189 HydrophobicContact CD1-CG2 4.1Å; L165-T189 HydrophobicContact CD2-CG2 4.33Å; L165-T189 HydrophobicContact CG-CG2 4.36Å |
| 166 | D | 81.2 | Confident | 89.8 | Confident | 122 Ų | 122 | 55.5 Ų | 55.5 | 65% | 0.652 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -123.3 | 30.5 | -167.6 | -55.6 | -54.4 | 0 | 0 | 0 | 114 | Y169 | D166-Y169 HydrophobicContact CB-CD1 4.49Å; D166-Y169 HydrophobicContact CB-CE1 3.72Å; D166-Y169 PolarHBondContact N-OH 3.16Å |
| 167 | G | 79.9 | Confident | 90 | Very high | 43 Ų | 43 | 56 Ų | 56 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 142.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 168 | P | 87.7 | Confident | 90.2 | Very high | 98 Ų | 98 | 57.1 Ų | 57.1 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | S | Bend | cis | -81.4 | 145.4 | 1.3 | 32.2 | -34.3 | 0 | 0 | 0 | 113.8 | ||
| 169 | Y | 93.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 146.9 | -177.3 | -61.6 | -95.6 | 0 | 0 | 0 | 111.7 | F164 D166 I184 V186 T257 T258 V259 N260 | F164-Y169 HydrophobicContact CB-CE2 4.44Å; F164-Y169 HydrophobicContact CD1-CE2 4.34Å; D166-Y169 HydrophobicContact CB-CD1 4.49Å; D166-Y169 HydrophobicContact CB-CE1 3.72Å; D166-Y169 PolarHBondContact N-OH 3.16Å; Y169-I184 HydrophobicContact CD1-CD1 4.17Å; Y169-V186 HydrophobicContact CD1-CG1 4.12Å; Y169-V186 HydrophobicContact CD2-CG1 3.8Å; Y169-V186 HydrophobicContact CE1-CG1 4.2Å; Y169-V186 HydrophobicContact CE2-CB 4.29Å; Y169-V186 HydrophobicContact CE2-CG1 3.93Å; Y169-V186 HydrophobicContact CG-CG1 3.92Å; Y169-T257 HydrophobicContact CD2-CG2 4.06Å; Y169-T257 HydrophobicContact CE2-CG2 3.88Å; Y169-T258 PolarHBondContact N-O 2.9Å; Y169-V259 HydrophobicContact CD2-CG2 4.32Å; Y169-V259 CarbonylContact O-C 3.53Å; Y169-V259 WeakPolarHBondContact O-CA 3.3Å; Y169-N260 PolarHBondContact O-N 2.94Å |
| 170 | V | 95.1 | Very high | 90.7 | Very high | 105 Ų | 105 | 58 Ų | 58 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.7 | 173.2 | -176.4 | 0 | 0 | 0 | 0 | 109 | N260 | V170-N260 WeakPolarHBondContact CA-O 3.35Å |
| 171 | A | 94.9 | Very high | 91 | Very high | 13 Ų | 13 | 58 Ų | 58 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 155.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V183 I184 N260 I261 T262 | A171-V183 HydrophobicContact CB-CG1 3.69Å; A171-I184 HydrophobicContact CB-CB 3.91Å; A171-I184 HydrophobicContact CB-CD1 4.11Å; A171-I184 HydrophobicContact CB-CG2 4Å; A171-N260 PolarHBondContact N-O 2.95Å; A171-I261 VanDerWaalsContact O-CA 3.3Å; A171-I261 WeakPolarHBondContact O-CA 3.41Å; A171-T262 PolarHBondContact O-N 3.26Å |
| 172 | S | 95.4 | Very high | 91.2 | Very high | 78 Ų | 78 | 57 Ų | 57 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.5 | 169.1 | 61.2 | 0 | 0 | 0 | 0 | 110.6 | T262 | S172-T262 VanDerWaalsContact CA-O 3.22Å; S172-T262 WeakPolarHBondContact CA-O 3.23Å |
| 173 | V | 95.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.3 | 175 | 62.6 | 0 | 0 | 0 | 0 | 109.2 | E175 T181 V183 T224 I261 T262 L263 S264 | V173-E175 PolarHBondContact O-N 2.88Å; V173-T181 HydrophobicContact CG2-CG2 4.19Å; V173-V183 HydrophobicContact CB-CG1 4.42Å; V173-V183 HydrophobicContact CB-CG2 4.18Å; V173-V183 HydrophobicContact CG1-CG2 4.37Å; V173-V183 HydrophobicContact CG2-CG2 4.21Å; V173-T224 HydrophobicContact CG2-CG2 4.11Å; V173-I261 HydrophobicContact CG1-CG2 3.86Å; V173-T262 PolarHBondContact N-O 3.08Å; V173-L263 HydrophobicContact CG1-CD2 3.56Å; V173-L263 CarbonylContact O-C 3.56Å; V173-L263 VanDerWaalsContact O-CA 3.28Å; V173-L263 WeakPolarHBondContact O-CA 3.28Å; V173-S264 PolarHBondContact O-N 3.2Å |
| 174 | P | 92.4 | Very high | 91.4 | Very high | 64 Ų | 64 | 54.1 Ų | 54.1 | 42% | 0.416 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 138.2 | 173.9 | -24.7 | 34.5 | 0 | 0 | 0 | 111.4 | S177 S264 V266 | P174-S177 VanDerWaalsContact O-CB 3.25Å; P174-S177 WeakPolarHBondContact O-CB 3.47Å; P174-S177 PolarHBondContact O-OG 3.05Å; P174-S264 WeakPolarHBondContact CA-O 3.4Å; P174-S264 WeakPolarHBondContact CA-OG 3.29Å; P174-V266 HydrophobicContact CB-CG2 4.1Å |
| 175 | E | 92.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 167.7 | 169 | 76.8 | -172.7 | 122.9 | 0 | 0 | 111.8 | V173 S177 M229 R231 L263 S264 D265 V266 | V173-E175 PolarHBondContact O-N 2.88Å; E175-S177 PolarHBondContact O-N 3.42Å; E175-M229 WeakPolarHBondContact CB-O 3.42Å; E175-R231 HydrophobicContact CB-CB 4.35Å; E175-R231 VanDerWaalsContact OE2-CB 3.23Å; E175-R231 WeakPolarHBondContact OE2-CB 3.21Å; E175-R231 PolarHBondContact OE2-N 3.44Å; E175-L263 HydrophobicContact CB-CB 4.43Å; E175-L263 HydrophobicContact CB-CD1 4.29Å; E175-S264 PolarHBondContact N-O 3.49Å; E175-S264 VanDerWaalsContact N-O 3.12Å; E175-D265 WeakPolarHBondContact OE1-CA 3.48Å; E175-V266 HydrophobicContact CG-CB 3.82Å; E175-V266 HydrophobicContact CG-CG2 3.92Å; E175-V266 PolarHBondContact OE1-N 3.29Å |
| 176 | M | 88.3 | Confident | 92.1 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 14.6 | -172.3 | -60.2 | -160.9 | 177 | 0 | 0 | 114.8 | M229 D268 F363 L366 | M176-M229 PolarHBondContact N-O 3.32Å; M176-D268 HydrophobicContact CE-CB 3.85Å; M176-D268 WeakPolarHBondContact CE-OD2 3.13Å; M176-D268 HydrophobicContact SD-CB 4.11Å; M176-F363 HydrophobicContact CB-CE1 4.43Å; M176-F363 HydrophobicContact SD-CE1 4.17Å; M176-L366 HydrophobicContact CE-CD1 4.5Å; M176-L366 HydrophobicContact SD-CD1 4.22Å |
| 177 | S | 90.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.119 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 137 | 177.3 | -80 | 0 | 0 | 0 | 0 | 110.5 | P174 E175 | P174-S177 VanDerWaalsContact O-CB 3.25Å; P174-S177 WeakPolarHBondContact O-CB 3.47Å; P174-S177 PolarHBondContact O-OG 3.05Å; E175-S177 PolarHBondContact O-N 3.42Å |
| 178 | P | 91.5 | Very high | 93.2 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 153.9 | 177.6 | 27 | -33.6 | 0 | 0 | 0 | 110.5 | G180 T181 T224 | P178-G180 PolarHBondContact O-N 3.32Å; P178-T181 WeakPolarHBondContact CD-OG1 3.41Å; P178-T181 WeakPolarHBondContact O-CB 3.4Å; P178-T181 PolarHBondContact O-N 2.99Å; P178-T181 PolarHBondContact O-OG1 2.84Å; P178-T224 PolarHBondContact O-OG1 3.01Å |
| 179 | V | 93.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 46.9 Ų | 46.9 | 53% | 0.527 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 132.8 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | M227 | V179-M227 HydrophobicContact CG2-CB 3.96Š|
| 180 | G | 92.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | 2.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P178 S182 R223 T224 | P178-G180 PolarHBondContact O-N 3.32Å; G180-S182 PolarHBondContact O-N 2.57Å; G180-R223 PolarHBondContact O-NH1 3.18Å; G180-T224 PolarHBondContact N-O 2.99Å; G180-T224 PolarHBondContact N-OG1 3.03Å |
| 181 | T | 94.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 44.9 Ų | 44.9 | 23% | 0.233 | 28% | 0.284 | C | S | . | . | trans | -63.1 | 128.6 | 174.7 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | V173 P178 R223 T224 | V173-T181 HydrophobicContact CG2-CG2 4.19Å; P178-T181 WeakPolarHBondContact CD-OG1 3.41Å; P178-T181 WeakPolarHBondContact O-CB 3.4Å; P178-T181 PolarHBondContact O-N 2.99Å; P178-T181 PolarHBondContact O-OG1 2.84Å; T181-R223 CarbonylContact O-C 3.56Å; T181-R223 WeakPolarHBondContact O-CA 3.47Å; T181-T224 WeakPolarHBondContact CB-OG1 3.07Å; T181-T224 PolarHBondContact N-OG1 2.93Å; T181-T224 VanDerWaalsContact N-OG1 3.09Å; T181-T224 PolarHBondContact O-N 3.38Å | ||
| 182 | S | 95.6 | Very high | 92.8 | Very high | 74 Ų | 74 | 44.5 Ų | 44.5 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.4 | 179 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | G180 | G180-S182 PolarHBondContact O-N 2.57Å |
| 183 | V | 95.6 | Very high | 92.3 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -63 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | A171 V173 F213 I222 T224 I261 | A171-V183 HydrophobicContact CB-CG1 3.69Å; V173-V183 HydrophobicContact CB-CG1 4.42Å; V173-V183 HydrophobicContact CB-CG2 4.18Å; V173-V183 HydrophobicContact CG1-CG2 4.37Å; V173-V183 HydrophobicContact CG2-CG2 4.21Å; V183-F213 HydrophobicContact CG2-CD1 4.24Å; V183-F213 HydrophobicContact CG2-CE1 4.08Å; V183-I222 PolarHBondContact N-O 2.95Å; V183-T224 HydrophobicContact CG2-CG2 4.15Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.22Å; V183-I261 HydrophobicContact CG1-CG2 4.05Å |
| 184 | I | 95 | Very high | 91.5 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 154.3 | -179 | -170.8 | 163.7 | 0 | 0 | 0 | 109.7 | Y169 A171 I222 V259 | Y169-I184 HydrophobicContact CD1-CD1 4.17Å; A171-I184 HydrophobicContact CB-CB 3.91Å; A171-I184 HydrophobicContact CB-CD1 4.11Å; A171-I184 HydrophobicContact CB-CG2 4Å; I184-I222 HydrophobicContact CG2-CB 4.43Å; I184-I222 HydrophobicContact CG2-CD1 4.01Å; I184-I222 PolarHBondContact O-N 2.84Å; I184-V259 HydrophobicContact CG2-CG1 3.85Å |
| 185 | Q | 94.6 | Very high | 90.7 | Very high | 110 Ų | 110 | 49.8 Ų | 49.8 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122 | 172.7 | -173.3 | 175.8 | -1.8 | 0 | 0 | 109.8 | T219 L221 | Q185-T219 WeakPolarHBondContact CG-O 3.49Å; Q185-T219 PolarHBondContact NE2-O 3.36Å; Q185-L221 HydrophobicContact CB-CD1 4.03Å; Q185-L221 HydrophobicContact CG-CB 4.48Å |
| 186 | V | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -99.4 | 143.1 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | F164 Y169 Y204 G220 I222 I241 V259 | F164-V186 HydrophobicContact CD1-CB 4.43Å; F164-V186 HydrophobicContact CE1-CB 4.22Å; F164-V186 HydrophobicContact CE1-CG2 4.06Å; Y169-V186 HydrophobicContact CD1-CG1 4.12Å; Y169-V186 HydrophobicContact CD2-CG1 3.8Å; Y169-V186 HydrophobicContact CE1-CG1 4.2Å; Y169-V186 HydrophobicContact CE2-CB 4.29Å; Y169-V186 HydrophobicContact CE2-CG1 3.93Å; Y169-V186 HydrophobicContact CG-CG1 3.92Å; V186-Y204 HydrophobicContact CG2-CD1 4.34Å; V186-Y204 HydrophobicContact CG2-CE1 4.44Å; V186-G220 WeakPolarHBondContact CG2-O 3.4Å; V186-G220 PolarHBondContact N-O 3.06Å; V186-I222 HydrophobicContact CG1-CD1 4.32Å; V186-I241 HydrophobicContact CG2-CG1 4.47Å; V186-I241 HydrophobicContact CG2-CG2 4.03Å; V186-V259 HydrophobicContact CG1-CG2 3.93Å | ||
| 187 | T | 93.4 | Very high | 88.9 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | trans | -127.5 | 127.7 | -179.8 | -53 | 0 | 0 | 0 | 0 | 110.1 | L165 | L165-T187 PolarHBondContact N-O 3.08Š| ||
| 188 | A | 92.3 | Very high | 88.3 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 144.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P162 K163 F164 V202 Y204 A243 | P162-A188 HydrophobicContact CB-CB 4.28Å; K163-A188 CarbonylContact O-C 3.54Å; K163-A188 VanDerWaalsContact O-CA 3.22Å; K163-A188 WeakPolarHBondContact O-CA 3.29Å; F164-A188 HydrophobicContact CD1-CB 3.83Å; F164-A188 HydrophobicContact CD2-CB 4.38Å; F164-A188 HydrophobicContact CE1-CB 3.88Å; F164-A188 HydrophobicContact CE2-CB 4.41Å; F164-A188 HydrophobicContact CG-CB 4.1Å; F164-A188 HydrophobicContact CZ-CB 4.17Å; A188-V202 HydrophobicContact CB-CG1 4.43Å; A188-Y204 HydrophobicContact CB-CE1 3.98Å; A188-Y204 PolarHBondContact N-OH 3.06Å; A188-Y204 PolarHBondContact O-OH 2.8Å; A188-A243 HydrophobicContact CB-CB 3.51Å |
| 189 | T | 90.8 | Very high | 87.7 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.1 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | K163 L165 | K163-T189 PolarHBondContact N-O 2.77Å; K163-T189 PolarHBondContact O-N 3Å; L165-T189 HydrophobicContact CD1-CG2 4.1Å; L165-T189 HydrophobicContact CD2-CG2 4.33Å; L165-T189 HydrophobicContact CG-CG2 4.36Å |
| 190 | D | 91.4 | Very high | 87.2 | Confident | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | trans | -107.9 | 142.6 | 174.1 | -157.3 | -57.6 | 0 | 0 | 0 | 108.8 | P162 D192 A200 V202 D245 | P162-D190 WeakPolarHBondContact CD-OD2 3.37Å; P162-D190 VanDerWaalsContact CG-OD2 3.32Å; P162-D190 WeakPolarHBondContact CG-OD2 3.41Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 3.32Å; D190-A200 HydrophobicContact CB-CB 4.13Å; D190-V202 HydrophobicContact CB-CG2 4.04Å; D190-D245 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 191 | A | 90.3 | Very high | 86.9 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | trans | -85 | -17.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R123 E124 N160 | R123-A191 PolarHBondContact NH1-O 2.93Å; E124-A191 HydrophobicContact CG-CB 4.01Å; N160-A191 HydrophobicContact CB-CB 3.96Å | ||
| 192 | D | 89.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -70.4 | 174.8 | -177.6 | -62.7 | -13.3 | 0 | 0 | 0 | 112.4 | R123 N158 D159 N160 D190 P194 A200 | R123-D192 VanDerWaalsContact NH1-CA 3.31Å; N158-D192 VanDerWaalsContact CA-OD2 3.22Å; N158-D192 WeakPolarHBondContact CA-OD2 3.3Å; D159-D192 PolarHBondContact N-OD2 2.87Å; N160-D192 VanDerWaalsContact CB-OD1 3.27Å; N160-D192 WeakPolarHBondContact CB-OD1 3.48Å; N160-D192 PolarHBondContact N-OD1 2.77Å; N160-D192 PolarHBondContact ND2-OD1 2.9Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 3.32Å; D192-P194 WeakPolarHBondContact O-CD 3.46Å; D192-A200 HydrophobicContact CB-CB 4.27Å; D192-A200 WeakPolarHBondContact O-CB 3.44Å |
| 193 | D | 84.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | trans | -82.3 | 120.1 | -169.5 | -164.7 | -33.3 | 0 | 0 | 0 | 110.1 | R123 D156 T195 Y196 | R123-D193 VanDerWaalsContact NH1-CA 3.3Å; R123-D193 VanDerWaalsContact NH2-CG 3.29Å; R123-D193 IonicContact NH2-OD2 2.79Å; R123-D193 PolarHBondContact NH2-OD2 3.21Å; D156-D193 HydrophobicContact CB-CB 3.77Å; D156-D193 VanDerWaalsContact CG-N 3.29Å; D156-D193 WeakPolarHBondContact OD1-CB 3.32Å; D156-D193 PolarHBondContact OD1-N 2.88Å; D156-D193 PolarHBondContact OD2-N 3.12Å; D193-T195 PolarHBondContact O-N 2.91Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.21Å; D193-T195 PolarHBondContact OD1-N 3.03Å; D193-T195 PolarHBondContact OD1-OG1 3.08Å; D193-T195 PolarHBondContact OD2-OG1 2.7Å; D193-Y196 PolarHBondContact O-N 3.22Å | ||
| 194 | P | 78.2 | Confident | 86.6 | Confident | 104 Ų | 104 | 51.5 Ų | 51.5 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.8 | -13.7 | 177.9 | 29.6 | -35.9 | 0 | 0 | 0 | 113.6 | D192 A200 | D192-P194 WeakPolarHBondContact O-CD 3.46Å; P194-A200 HydrophobicContact CB-CB 4.12Å |
| 195 | T | 76.6 | Confident | 86.6 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 74% | 0.742 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -99.5 | -20.2 | -178.1 | 70 | 0 | 0 | 0 | 0 | 113.5 | D193 | D193-T195 PolarHBondContact O-N 2.91Å; D193-T195 WeakPolarHBondContact OD1-CA 3.38Å; D193-T195 WeakPolarHBondContact OD1-CB 3.21Å; D193-T195 PolarHBondContact OD1-N 3.03Å; D193-T195 PolarHBondContact OD1-OG1 3.08Å; D193-T195 PolarHBondContact OD2-OG1 2.7Å |
| 196 | Y | 71.4 | Confident | 86.7 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -97.9 | 92.5 | -179.1 | -164.1 | -99.5 | 0 | 0 | 0 | 110.6 | Q155 D156 D193 S199 | Q155-Y196 HydrophobicContact CB-CE1 4.4Å; Q155-Y196 HydrophobicContact CB-CE2 4.44Å; Q155-Y196 VanDerWaalsContact CD-OH 3.23Å; Q155-Y196 HydrophobicContact CG-CE2 4.09Å; Q155-Y196 PolarHBondContact NE2-OH 3.49Å; Q155-Y196 PolarHBondContact OE1-OH 3.33Å; D156-Y196 HydrophobicContact CB-CD1 3.82Å; D156-Y196 HydrophobicContact CB-CG 4.21Å; D156-Y196 WeakPolarHBondContact O-CD1 3.46Å; D156-Y196 WeakPolarHBondContact O-CE1 3.4Å; D193-Y196 PolarHBondContact O-N 3.22Å; Y196-S199 PolarHBondContact O-OG 3Å |
| 197 | G | 70.3 | Confident | 86.7 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 62% | 0.619 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -143.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 198 | N | 78.3 | Confident | 86.7 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 11.6 | 175.8 | -72 | -43.7 | 0 | 0 | 0 | 111.8 | A200 R201 M246 | N198-A200 PolarHBondContact O-N 2.78Å; N198-R201 HydrophobicContact CB-CB 4.34Å; N198-R201 VanDerWaalsContact O-CB 3.27Å; N198-R201 WeakPolarHBondContact O-CB 3.35Å; N198-R201 PolarHBondContact O-N 2.85Å; N198-M246 HydrophobicContact CB-SD 4.25Å; N198-M246 WeakPolarHBondContact O-CA 3.49Å; N198-M246 PolarHBondContact O-N 2.98Å |
| 199 | S | 79.4 | Confident | 86.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -63.4 | -170.6 | -48 | 0 | 0 | 0 | 0 | 111.2 | D156 N158 Y196 R201 D245 M246 | D156-S199 WeakPolarHBondContact OD2-CB 3.24Å; D156-S199 PolarHBondContact OD2-OG 3.36Å; N158-S199 VanDerWaalsContact OD1-CA 3.25Å; N158-S199 WeakPolarHBondContact OD1-CA 3.12Å; N158-S199 PolarHBondContact OD1-O 2.92Å; Y196-S199 PolarHBondContact O-OG 3Å; S199-R201 PolarHBondContact O-N 3.39Å; S199-D245 WeakPolarHBondContact O-CB 3.33Å; S199-M246 PolarHBondContact O-N 2.88Å |
| 200 | A | 82.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 57 Ų | 57 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 7.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | D190 D192 P194 N198 V202 | D190-A200 HydrophobicContact CB-CB 4.13Å; D192-A200 HydrophobicContact CB-CB 4.27Å; D192-A200 WeakPolarHBondContact O-CB 3.44Å; P194-A200 HydrophobicContact CB-CB 4.12Å; N198-A200 PolarHBondContact O-N 2.78Å; A200-V202 PolarHBondContact O-N 3.37Å; A200-V202 VanDerWaalsContact O-N 3.16Å |
| 201 | R | 87.8 | Confident | 86.7 | Confident | 140 Ų | 140 | 59.9 Ų | 59.9 | 53% | 0.528 | 34% | 0.342 | S | S | . | . | trans | -85 | 94.6 | -175.5 | -172.6 | -178.9 | 174.5 | -177.4 | -2.2 | 110.8 | N198 S199 D245 M246 G247 | N198-R201 HydrophobicContact CB-CB 4.34Å; N198-R201 VanDerWaalsContact O-CB 3.27Å; N198-R201 WeakPolarHBondContact O-CB 3.35Å; N198-R201 PolarHBondContact O-N 2.85Å; S199-R201 PolarHBondContact O-N 3.39Å; R201-D245 CarbonylContact O-C 3.59Å; R201-M246 PolarHBondContact O-N 2.54Å; R201-G247 WeakPolarHBondContact O-CA 3.49Å; R201-G247 PolarHBondContact O-N 3.15Å | ||
| 202 | V | 91.1 | Very high | 86.9 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | trans | -75.3 | 137.8 | 179.3 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | P162 A188 D190 A200 Y204 A243 K244 | P162-V202 HydrophobicContact CB-CG1 4.3Å; P162-V202 HydrophobicContact CB-CG2 3.98Å; P162-V202 HydrophobicContact CG-CG1 4.47Å; P162-V202 HydrophobicContact CG-CG2 3.99Å; A188-V202 HydrophobicContact CB-CG1 4.43Å; D190-V202 HydrophobicContact CB-CG2 4.04Å; A200-V202 PolarHBondContact O-N 3.37Å; A200-V202 VanDerWaalsContact O-N 3.16Å; V202-Y204 HydrophobicContact CG1-CE1 4.33Å; V202-Y204 HydrophobicContact CG1-CE2 4.34Å; V202-A243 HydrophobicContact CG1-CB 3.61Å; V202-K244 CarbonylContact C-O 3.55Å; V202-K244 WeakPolarHBondContact CA-O 3.3Å | ||
| 203 | V | 93.1 | Very high | 87.2 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.2 | 170.6 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | S217 K244 G247 | V203-S217 WeakPolarHBondContact CA-O 3.39Å; V203-K244 PolarHBondContact N-O 2.86Å; V203-K244 PolarHBondContact O-N 2.77Å; V203-G247 VanDerWaalsContact CG2-C 3.44Å |
| 204 | Y | 94.8 | Very high | 87.7 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.4 | 179.9 | -58.1 | -87.1 | 0 | 0 | 0 | 111.9 | F164 V186 A188 V202 S217 I241 Q242 A243 | F164-Y204 HydrophobicContact CE1-CD1 4.24Å; F164-Y204 AromaticContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CE1-CE1 3.89Å; F164-Y204 HydrophobicContact CZ-CD1 4.41Å; F164-Y204 HydrophobicContact CZ-CE1 4.35Å; V186-Y204 HydrophobicContact CG2-CD1 4.34Å; V186-Y204 HydrophobicContact CG2-CE1 4.44Å; A188-Y204 HydrophobicContact CB-CE1 3.98Å; A188-Y204 PolarHBondContact N-OH 3.06Å; A188-Y204 PolarHBondContact O-OH 2.8Å; V202-Y204 HydrophobicContact CG1-CE1 4.33Å; V202-Y204 HydrophobicContact CG1-CE2 4.34Å; Y204-S217 PolarHBondContact N-O 3.17Å; Y204-S217 WeakPolarHBondContact O-CA 3.4Å; Y204-I241 HydrophobicContact CD1-CG2 4.26Å; Y204-Q242 CarbonylContact C-O 3.56Å; Y204-Q242 WeakPolarHBondContact CA-O 3.32Å; Y204-A243 HydrophobicContact CD1-CB 4.14Å; Y204-A243 HydrophobicContact CE1-CB 4.06Å |
| 205 | S | 94.8 | Very high | 88.6 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 158.6 | 174.6 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | Q242 | S205-Q242 PolarHBondContact N-O 2.78Å; S205-Q242 PolarHBondContact O-N 3.3Å |
| 206 | I | 95.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 10% | 0.103 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.7 | 175.6 | -61.8 | 178.9 | 0 | 0 | 0 | 108.3 | Q208 Q210 F213 V215 V239 I241 | I206-Q208 VanDerWaalsContact CG2-C 3.5Å; I206-Q208 WeakPolarHBondContact CG2-O 3.36Å; I206-Q210 HydrophobicContact CB-CG 4.27Å; I206-Q210 HydrophobicContact CG2-CG 4.03Å; I206-F213 HydrophobicContact CD1-CB 4.3Å; I206-F213 VanDerWaalsContact CD1-O 3.3Å; I206-F213 WeakPolarHBondContact CD1-O 3.5Å; I206-V215 HydrophobicContact CD1-CB 4.15Å; I206-V215 HydrophobicContact CD1-CG1 4.28Å; I206-V215 HydrophobicContact CG1-CB 3.94Å; I206-V215 HydrophobicContact CG1-CG1 3.68Å; I206-V239 HydrophobicContact CG2-CG1 4.16Å; I206-I241 HydrophobicContact CD1-CD1 4.48Å; I206-I241 HydrophobicContact CG1-CD1 3.69Å |
| 207 | L | 94.1 | Very high | 90.6 | Very high | 96 Ų | 96 | 53.1 Ų | 53.1 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -37.8 | 171.3 | -64.4 | -179.2 | 0 | 0 | 0 | 111.6 | I240 Q242 T256 | L207-I240 HydrophobicContact CB-CB 4.36Å; L207-I240 HydrophobicContact CB-CG2 4.2Å; L207-I240 HydrophobicContact CD1-CG2 4.22Å; L207-I240 PolarHBondContact N-O 2.75Å; L207-Q242 HydrophobicContact CD1-CB 3.9Å; L207-Q242 HydrophobicContact CD2-CB 4.29Å; L207-Q242 HydrophobicContact CG-CB 3.82Å; L207-T256 HydrophobicContact CD1-CG2 3.76Å |
| 208 | Q | 94.8 | Very high | 91.6 | Very high | 96 Ų | 96 | 59.4 Ų | 59.4 | 45% | 0.449 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 137.8 | 179.3 | -179.2 | 175.5 | -25.4 | 0 | 0 | 109.5 | I206 V239 I240 | I206-Q208 VanDerWaalsContact CG2-C 3.5Å; I206-Q208 WeakPolarHBondContact CG2-O 3.36Å; Q208-V239 CarbonylContact O-C 3.47Å; Q208-V239 VanDerWaalsContact O-CA 3.28Å; Q208-V239 WeakPolarHBondContact O-CA 3.37Å; Q208-V239 WeakPolarHBondContact O-CG1 3.48Å; Q208-I240 HydrophobicContact CB-CB 4.02Å; Q208-I240 HydrophobicContact CB-CD1 4.07Å; Q208-I240 HydrophobicContact CB-CG1 4.03Å; Q208-I240 PolarHBondContact N-O 2.86Å; Q208-I240 PolarHBondContact O-N 3.33Å |
| 209 | G | 90.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 124.9 | -8.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y212 F213 | G209-Y212 PolarHBondContact O-N 2.87Å; G209-Y212 VanDerWaalsContact O-N 3.1Å; G209-F213 PolarHBondContact O-N 2.78Å |
| 210 | Q | 91.1 | Very high | 92.9 | Very high | 140 Ų | 140 | 59.3 Ų | 59.3 | 65% | 0.654 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 145.8 | 166.9 | -66.3 | -171.6 | -36.4 | 0 | 0 | 110.5 | I206 | I206-Q210 HydrophobicContact CB-CG 4.27Å; I206-Q210 HydrophobicContact CG2-CG 4.03Å |
| 211 | P | 92.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 60 Ų | 60 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.9 | 6.8 | 5.8 | 36.9 | -36.8 | 0 | 0 | 0 | 114.9 | A225 | P211-A225 WeakPolarHBondContact O-CB 3.35Š|
| 212 | Y | 94.4 | Very high | 94 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -37.8 | -171.2 | -57.5 | -79.9 | 0 | 0 | 0 | 113.5 | G209 A225 L226 M229 Y237 | G209-Y212 PolarHBondContact O-N 2.87Å; G209-Y212 VanDerWaalsContact O-N 3.1Å; Y212-A225 PolarHBondContact O-N 2.99Å; Y212-L226 HydrophobicContact CD1-CB 4.4Å; Y212-L226 HydrophobicContact CD1-CD2 3.52Å; Y212-L226 HydrophobicContact CE1-CD2 3.57Å; Y212-L226 PolarHBondContact O-N 3.17Å; Y212-M229 HydrophobicContact CD1-CE 4.37Å; Y212-M229 HydrophobicContact CD1-CG 4.39Å; Y212-M229 HydrophobicContact CD1-SD 4.45Å; Y212-Y237 HydrophobicContact CD1-CD1 4.41Å; Y212-Y237 AromaticContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD2-CD1 4.05Å; Y212-Y237 AromaticContact CD2-CE1 3.82Å; Y212-Y237 HydrophobicContact CD2-CE1 3.82Å; Y212-Y237 AromaticContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE2-CE1 4.03Å; Y212-Y237 AromaticContact CG-CD1 3.99Å; Y212-Y237 HydrophobicContact CG-CD1 3.99Å; Y212-Y237 AromaticContact CG-CE1 3.57Å; Y212-Y237 HydrophobicContact CG-CE1 3.57Å |
| 213 | F | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.3 | -177.7 | -58.2 | -81.1 | 0 | 0 | 0 | 112.4 | V183 I206 G209 I222 R223 T224 M229 Y237 V239 I261 | V183-F213 HydrophobicContact CG2-CD1 4.24Å; V183-F213 HydrophobicContact CG2-CE1 4.08Å; I206-F213 HydrophobicContact CD1-CB 4.3Å; I206-F213 VanDerWaalsContact CD1-O 3.3Å; I206-F213 WeakPolarHBondContact CD1-O 3.5Å; G209-F213 PolarHBondContact O-N 2.78Å; F213-I222 HydrophobicContact CB-CG2 4.03Å; F213-I222 HydrophobicContact CD1-CG2 4.22Å; F213-I222 HydrophobicContact CG-CG2 4.39Å; F213-R223 WeakPolarHBondContact CA-O 3.45Å; F213-T224 HydrophobicContact CE1-CG2 4.41Å; F213-M229 HydrophobicContact CE1-CE 4.13Å; F213-M229 HydrophobicContact CE1-SD 4.5Å; F213-M229 HydrophobicContact CE2-CE 3.9Å; F213-M229 HydrophobicContact CZ-CE 3.45Å; F213-M229 VanDerWaalsContact CZ-CE 3.45Å; F213-M229 HydrophobicContact CZ-SD 4.34Å; F213-Y237 HydrophobicContact CE2-CD1 4.04Å; F213-Y237 HydrophobicContact CE2-CD2 4.45Å; F213-Y237 AromaticContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CZ-CG 4.29Å; F213-V239 HydrophobicContact CD2-CG2 3.49Å; F213-V239 VanDerWaalsContact CD2-CG2 3.49Å; F213-V239 HydrophobicContact CE2-CG2 3.95Å; F213-V239 HydrophobicContact CG-CG2 4.16Å; F213-I261 HydrophobicContact CD1-CD1 3.82Å; F213-I261 HydrophobicContact CD2-CD1 4.06Å; F213-I261 HydrophobicContact CE1-CD1 3.6Å; F213-I261 HydrophobicContact CE1-CG2 4.07Å; F213-I261 HydrophobicContact CE2-CD1 3.86Å; F213-I261 HydrophobicContact CG-CD1 4.04Å; F213-I261 HydrophobicContact CZ-CB 4.09Å; F213-I261 HydrophobicContact CZ-CD1 3.61Å; F213-I261 HydrophobicContact CZ-CG1 4.45Å; F213-I261 HydrophobicContact CZ-CG2 3.74Å |
| 214 | S | 95.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.7 | 172.7 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | I222 R223 | S214-I222 CarbonylContact O-C 3.55Å; S214-I222 VanDerWaalsContact O-CA 3.32Å; S214-I222 WeakPolarHBondContact O-CA 3.48Å; S214-R223 PolarHBondContact N-O 3.1Å; S214-R223 PolarHBondContact O-N 3.5Å; S214-R223 PolarHBondContact OG-O 3.31Å |
| 215 | V | 96.5 | Very high | 94.3 | Very high | 27 Ų | 27 | 56.7 Ų | 56.7 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.4 | 175.9 | 70.8 | 0 | 0 | 0 | 0 | 109.2 | I206 S217 L221 I222 I241 | I206-V215 HydrophobicContact CD1-CB 4.15Å; I206-V215 HydrophobicContact CD1-CG1 4.28Å; I206-V215 HydrophobicContact CG1-CB 3.94Å; I206-V215 HydrophobicContact CG1-CG1 3.68Å; V215-S217 PolarHBondContact O-N 3.03Å; V215-L221 WeakPolarHBondContact CA-O 3.36Å; V215-I222 HydrophobicContact CB-CG1 4.44Å; V215-I222 HydrophobicContact CG2-CG1 4.06Å; V215-I241 HydrophobicContact CB-CD1 4.49Å |
| 216 | D | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 58 Ų | 58 | 31% | 0.31 | 30% | 0.299 | S | S | . | . | trans | -71.5 | 120.1 | 168.4 | -179.9 | -70.8 | 0 | 0 | 0 | 109.1 | R218 T219 G220 L221 | D216-R218 PolarHBondContact O-N 3.05Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-R218 PolarHBondContact OD1-N 2.8Å; D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact O-N 2.86Å; D216-T219 PolarHBondContact OD1-N 2.71Å; D216-T219 PolarHBondContact OD1-OG1 2.91Å; D216-G220 PolarHBondContact O-N 3.47Å; D216-L221 HydrophobicContact CB-CB 4.38Å; D216-L221 PolarHBondContact N-O 3.17Å | ||
| 217 | S | 93.7 | Very high | 93.8 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.5 | -170 | 64.6 | 0 | 0 | 0 | 0 | 114.6 | V203 Y204 V215 | V203-S217 WeakPolarHBondContact CA-O 3.39Å; Y204-S217 PolarHBondContact N-O 3.17Å; Y204-S217 WeakPolarHBondContact O-CA 3.4Å; V215-S217 PolarHBondContact O-N 3.03Å |
| 218 | R | 90.8 | Very high | 93.3 | Very high | 192 Ų | 192 | 62.9 Ų | 62.9 | 73% | 0.725 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -36.6 | 179.7 | -66.5 | -177.3 | -68.4 | -160.6 | -2.4 | 112.9 | D216 | D216-R218 PolarHBondContact O-N 3.05Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-R218 PolarHBondContact OD1-N 2.8Å |
| 219 | T | 92.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 58.8 Ų | 58.8 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -17 | -172.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | Q185 D216 L221 | Q185-T219 WeakPolarHBondContact CG-O 3.49Å; Q185-T219 PolarHBondContact NE2-O 3.36Å; D216-T219 WeakPolarHBondContact CB-OG1 3.32Å; D216-T219 PolarHBondContact O-N 2.86Å; D216-T219 PolarHBondContact OD1-N 2.71Å; D216-T219 PolarHBondContact OD1-OG1 2.91Å; T219-L221 PolarHBondContact O-N 3.35Å |
| 220 | G | 92.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | 72 | 13.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V186 D216 I222 | V186-G220 WeakPolarHBondContact CG2-O 3.4Å; V186-G220 PolarHBondContact N-O 3.06Å; D216-G220 PolarHBondContact O-N 3.47Å; G220-I222 PolarHBondContact O-N 2.87Å | ||
| 221 | L | 96.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.4 | 177.9 | -178.8 | 66.1 | 0 | 0 | 0 | 110.7 | Q185 V215 D216 T219 R223 | Q185-L221 HydrophobicContact CB-CD1 4.03Å; Q185-L221 HydrophobicContact CG-CB 4.48Å; V215-L221 WeakPolarHBondContact CA-O 3.36Å; D216-L221 HydrophobicContact CB-CB 4.38Å; D216-L221 PolarHBondContact N-O 3.17Å; T219-L221 PolarHBondContact O-N 3.35Å; L221-R223 HydrophobicContact CD2-CG 4.49Å; L221-R223 HydrophobicContact CG-CG 4.34Å |
| 222 | I | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.9 | 176.1 | -56.4 | 173.9 | 0 | 0 | 0 | 109.3 | V183 I184 V186 F213 S214 V215 G220 I241 V259 I261 | V183-I222 PolarHBondContact N-O 2.95Å; I184-I222 HydrophobicContact CG2-CB 4.43Å; I184-I222 HydrophobicContact CG2-CD1 4.01Å; I184-I222 PolarHBondContact O-N 2.84Å; V186-I222 HydrophobicContact CG1-CD1 4.32Å; F213-I222 HydrophobicContact CB-CG2 4.03Å; F213-I222 HydrophobicContact CD1-CG2 4.22Å; F213-I222 HydrophobicContact CG-CG2 4.39Å; S214-I222 CarbonylContact O-C 3.55Å; S214-I222 VanDerWaalsContact O-CA 3.32Å; S214-I222 WeakPolarHBondContact O-CA 3.48Å; V215-I222 HydrophobicContact CB-CG1 4.44Å; V215-I222 HydrophobicContact CG2-CG1 4.06Å; G220-I222 PolarHBondContact O-N 2.87Å; I222-I241 HydrophobicContact CD1-CD1 3.77Å; I222-I241 HydrophobicContact CD1-CG1 3.81Å; I222-I241 HydrophobicContact CG1-CD1 4.21Å; I222-V259 HydrophobicContact CD1-CB 4.34Å; I222-V259 HydrophobicContact CD1-CG1 4.22Å; I222-V259 HydrophobicContact CD1-CG2 3.88Å; I222-I261 HydrophobicContact CG2-CD1 4.45Å |
| 223 | R | 96.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.1 | 179.4 | -64.2 | 176.9 | 179.4 | -107.2 | 2.8 | 111.6 | G180 T181 F213 S214 L221 A225 | G180-R223 PolarHBondContact O-NH1 3.18Å; T181-R223 CarbonylContact O-C 3.56Å; T181-R223 WeakPolarHBondContact O-CA 3.47Å; F213-R223 WeakPolarHBondContact CA-O 3.45Å; S214-R223 PolarHBondContact N-O 3.1Å; S214-R223 PolarHBondContact O-N 3.5Å; S214-R223 PolarHBondContact OG-O 3.31Å; L221-R223 HydrophobicContact CD2-CG 4.49Å; L221-R223 HydrophobicContact CG-CG 4.34Å; R223-A225 PolarHBondContact O-N 3.05Å |
| 224 | T | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133.3 | 169.2 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | V173 P178 G180 T181 V183 F213 | V173-T224 HydrophobicContact CG2-CG2 4.11Å; P178-T224 PolarHBondContact O-OG1 3.01Å; G180-T224 PolarHBondContact N-O 2.99Å; G180-T224 PolarHBondContact N-OG1 3.03Å; T181-T224 WeakPolarHBondContact CB-OG1 3.07Å; T181-T224 PolarHBondContact N-OG1 2.93Å; T181-T224 VanDerWaalsContact N-OG1 3.09Å; T181-T224 PolarHBondContact O-N 3.38Å; V183-T224 HydrophobicContact CG2-CG2 4.15Å; F213-T224 HydrophobicContact CE1-CG2 4.41Å |
| 225 | A | 93.9 | Very high | 93.2 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | trans | -116.4 | -22.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P211 Y212 R223 | P211-A225 WeakPolarHBondContact O-CB 3.35Å; Y212-A225 PolarHBondContact O-N 2.99Å; R223-A225 PolarHBondContact O-N 3.05Å | ||
| 226 | L | 93.1 | Very high | 93.1 | Very high | 69 Ų | 69 | 65.1 Ų | 65.1 | 36% | 0.361 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -102.5 | 140.3 | 175.1 | -167.4 | 67.1 | 0 | 0 | 0 | 110.6 | Y212 M229 | Y212-L226 HydrophobicContact CD1-CB 4.4Å; Y212-L226 HydrophobicContact CD1-CD2 3.52Å; Y212-L226 HydrophobicContact CE1-CD2 3.57Å; Y212-L226 PolarHBondContact O-N 3.17Å; L226-M229 HydrophobicContact CB-CG 4.32Å |
| 227 | M | 86.9 | Confident | 93.1 | Very high | 119 Ų | 119 | 63.2 Ų | 63.2 | 59% | 0.586 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -82.6 | 151.7 | 174.2 | -161.6 | 179.1 | 83.6 | 0 | 0 | 110.1 | V179 M229 | V179-M227 HydrophobicContact CG2-CB 3.96Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.76Å |
| 228 | N | 83.4 | Confident | 93.2 | Very high | 99 Ų | 99 | 65.2 Ų | 65.2 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | trans | 55.2 | 44.6 | 175.1 | -55.2 | -9.3 | 0 | 0 | 0 | 113 | D230 | N228-D230 PolarHBondContact O-N 3.08Š| ||
| 229 | M | 92.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 4% | 0.044 | 28% | 0.283 | C | S | . | . | trans | -63.5 | 132.2 | 161.9 | -71.1 | 177 | 64.1 | 0 | 0 | 107.9 | E175 M176 Y212 F213 L226 M227 Y237 L263 | E175-M229 WeakPolarHBondContact CB-O 3.42Å; M176-M229 PolarHBondContact N-O 3.32Å; Y212-M229 HydrophobicContact CD1-CE 4.37Å; Y212-M229 HydrophobicContact CD1-CG 4.39Å; Y212-M229 HydrophobicContact CD1-SD 4.45Å; F213-M229 HydrophobicContact CE1-CE 4.13Å; F213-M229 HydrophobicContact CE1-SD 4.5Å; F213-M229 HydrophobicContact CE2-CE 3.9Å; F213-M229 HydrophobicContact CZ-CE 3.45Å; F213-M229 VanDerWaalsContact CZ-CE 3.45Å; F213-M229 HydrophobicContact CZ-SD 4.34Å; L226-M229 HydrophobicContact CB-CG 4.32Å; M227-M229 VanDerWaalsContact C-N 3.32Å; M227-M229 PolarHBondContact O-N 2.76Å; M229-Y237 HydrophobicContact CE-CD1 4.38Å; M229-Y237 HydrophobicContact CE-CD2 3.93Å; M229-Y237 HydrophobicContact CE-CE1 4.02Å; M229-Y237 HydrophobicContact CE-CE2 3.53Å; M229-Y237 HydrophobicContact CE-CG 4.34Å; M229-L263 HydrophobicContact CB-CD1 4.04Å; M229-L263 HydrophobicContact CE-CD1 4.42Å; M229-L263 HydrophobicContact CE-CD2 3.93Å | ||
| 230 | D | 92.6 | Very high | 93.5 | Very high | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 28% | 0.275 | S | S | . | . | trans | -131 | 126.3 | -166.1 | 165.4 | -24.4 | 0 | 0 | 0 | 106.8 | N228 E232 A233 K234 | N228-D230 PolarHBondContact O-N 3.08Å; D230-E232 WeakPolarHBondContact OD1-CA 3.26Å; D230-E232 WeakPolarHBondContact OD1-CB 3.31Å; D230-E232 PolarHBondContact OD1-N 3.41Å; D230-A233 HydrophobicContact CB-CB 4.24Å; D230-A233 PolarHBondContact OD1-N 3.36Å; D230-K234 PolarHBondContact O-N 2.83Å | ||
| 231 | R | 94.8 | Very high | 93.7 | Very high | 31 Ų | 31 | 55 Ų | 55 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -40.5 | -174.6 | -172.1 | -146.5 | 69.3 | 108.9 | -6.9 | 110.6 | E175 A233 K234 E235 L263 D265 L300 E302 | E175-R231 HydrophobicContact CB-CB 4.35Å; E175-R231 VanDerWaalsContact OE2-CB 3.23Å; E175-R231 WeakPolarHBondContact OE2-CB 3.21Å; E175-R231 PolarHBondContact OE2-N 3.44Å; R231-A233 PolarHBondContact O-N 3.07Å; R231-K234 CarbonylContact O-C 3.6Å; R231-K234 PolarHBondContact O-N 3.17Å; R231-K234 VanDerWaalsContact O-N 3.13Å; R231-E235 HydrophobicContact CG-CB 3.97Å; R231-E235 HydrophobicContact CG-CG 3.87Å; R231-E235 PolarHBondContact O-N 3.4Å; R231-L263 HydrophobicContact CB-CB 3.99Å; R231-L263 HydrophobicContact CB-CD1 4.42Å; R231-L263 HydrophobicContact CG-CB 4.03Å; R231-D265 IonicContact CZ-OD1 3.55Å; R231-D265 IonicContact NE-OD1 3.88Å; R231-D265 PolarHBondContact NE-OD1 2.88Å; R231-D265 IonicContact NH2-OD1 2.88Å; R231-L300 PolarHBondContact NH2-O 2.74Å; R231-E302 IonicContact CZ-OE2 3.51Å; R231-E302 IonicContact NH1-OE2 3.04Å; R231-E302 PolarHBondContact NH1-OE2 3.16Å |
| 232 | E | 93.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.9 | 176.8 | -68.4 | 56.9 | -116.2 | 0 | 0 | 111.1 | D230 L300 | D230-E232 WeakPolarHBondContact OD1-CA 3.26Å; D230-E232 WeakPolarHBondContact OD1-CB 3.31Å; D230-E232 PolarHBondContact OD1-N 3.41Å; E232-L300 HydrophobicContact CG-CB 4.03Å |
| 233 | A | 92.6 | Very high | 93.6 | Very high | 80 Ų | 80 | 55.7 Ų | 55.7 | 66% | 0.661 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -47.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D230 R231 | D230-A233 HydrophobicContact CB-CB 4.24Å; D230-A233 PolarHBondContact OD1-N 3.36Å; R231-A233 PolarHBondContact O-N 3.07Å |
| 234 | K | 92.9 | Very high | 93.4 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.43 | 27% | 0.267 | S | S | . | . | trans | -159.7 | 110.5 | 179.3 | -177.3 | 175.3 | 174.3 | 177.7 | 0 | 112.2 | D230 R231 Y236 Y237 | D230-K234 PolarHBondContact O-N 2.83Å; R231-K234 CarbonylContact O-C 3.6Å; R231-K234 PolarHBondContact O-N 3.17Å; R231-K234 VanDerWaalsContact O-N 3.13Å; K234-Y236 WeakPolarHBondContact CE-O 3.15Å; K234-Y237 HydrophobicContact CD-CD1 4.42Å; K234-Y237 HydrophobicContact CD-CE1 3.83Å; K234-Y237 HydrophobicContact CG-CE1 4.38Å; K234-Y237 HydrophobicContact CG-CE2 4.22Å; K234-Y237 WeakPolarHBondContact O-CE2 3.34Å | ||
| 235 | E | 93.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | trans | -78.9 | -41 | -179.5 | -174.5 | -172.8 | 165.1 | 0 | 0 | 114.6 | R231 L263 | R231-E235 HydrophobicContact CG-CB 3.97Å; R231-E235 HydrophobicContact CG-CG 3.87Å; R231-E235 PolarHBondContact O-N 3.4Å; E235-L263 PolarHBondContact O-N 2.99Å | ||
| 236 | Y | 95.1 | Very high | 92.8 | Very high | 148 Ų | 148 | 53.2 Ų | 53.2 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.5 | -168.6 | -64.6 | -84.8 | 0 | 0 | 0 | 113.3 | K234 T262 | K234-Y236 WeakPolarHBondContact CE-O 3.15Å; Y236-T262 HydrophobicContact CD1-CG2 3.63Å; Y236-T262 HydrophobicContact CE1-CG2 3.5Å; Y236-T262 VanDerWaalsContact CE1-CG2 3.5Å |
| 237 | Y | 95.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.5 | 175.2 | -65.4 | -94.3 | 0 | 0 | 0 | 111.8 | Y212 F213 M229 K234 I261 L263 | Y212-Y237 HydrophobicContact CD1-CD1 4.41Å; Y212-Y237 AromaticContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD1-CE1 3.55Å; Y212-Y237 HydrophobicContact CD2-CD1 4.05Å; Y212-Y237 AromaticContact CD2-CE1 3.82Å; Y212-Y237 HydrophobicContact CD2-CE1 3.82Å; Y212-Y237 AromaticContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE1-CE1 3.78Å; Y212-Y237 HydrophobicContact CE2-CE1 4.03Å; Y212-Y237 AromaticContact CG-CD1 3.99Å; Y212-Y237 HydrophobicContact CG-CD1 3.99Å; Y212-Y237 AromaticContact CG-CE1 3.57Å; Y212-Y237 HydrophobicContact CG-CE1 3.57Å; F213-Y237 HydrophobicContact CE2-CD1 4.04Å; F213-Y237 HydrophobicContact CE2-CD2 4.45Å; F213-Y237 AromaticContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CE2-CG 3.8Å; F213-Y237 HydrophobicContact CZ-CG 4.29Å; M229-Y237 HydrophobicContact CE-CD1 4.38Å; M229-Y237 HydrophobicContact CE-CD2 3.93Å; M229-Y237 HydrophobicContact CE-CE1 4.02Å; M229-Y237 HydrophobicContact CE-CE2 3.53Å; M229-Y237 HydrophobicContact CE-CG 4.34Å; K234-Y237 HydrophobicContact CD-CD1 4.42Å; K234-Y237 HydrophobicContact CD-CE1 3.83Å; K234-Y237 HydrophobicContact CG-CE1 4.38Å; K234-Y237 HydrophobicContact CG-CE2 4.22Å; K234-Y237 WeakPolarHBondContact O-CE2 3.34Å; Y237-I261 PolarHBondContact N-O 3.29Å; Y237-I261 PolarHBondContact O-N 3.49Å; Y237-L263 HydrophobicContact CD2-CG 4.31Å; Y237-L263 HydrophobicContact CE2-CD1 3.79Å; Y237-L263 HydrophobicContact CE2-CD2 4.45Å; Y237-L263 HydrophobicContact CE2-CG 3.9Å |
| 238 | E | 95.5 | Very high | 92.1 | Very high | 102 Ų | 102 | 47 Ų | 47 | 48% | 0.477 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 120.4 | 170.3 | -173.3 | -178.6 | -156.2 | 0 | 0 | 109.7 | T258 | E238-T258 HydrophobicContact CG-CG2 3.56Å |
| 239 | V | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.5 | 178.8 | -176 | 0 | 0 | 0 | 0 | 109.6 | I206 Q208 F213 I241 V259 I261 | I206-V239 HydrophobicContact CG2-CG1 4.16Å; Q208-V239 CarbonylContact O-C 3.47Å; Q208-V239 VanDerWaalsContact O-CA 3.28Å; Q208-V239 WeakPolarHBondContact O-CA 3.37Å; Q208-V239 WeakPolarHBondContact O-CG1 3.48Å; F213-V239 HydrophobicContact CD2-CG2 3.49Å; F213-V239 VanDerWaalsContact CD2-CG2 3.49Å; F213-V239 HydrophobicContact CE2-CG2 3.95Å; F213-V239 HydrophobicContact CG-CG2 4.16Å; V239-I241 HydrophobicContact CG1-CD1 3.7Å; V239-I241 HydrophobicContact CG1-CG1 4.34Å; V239-V259 HydrophobicContact CB-CB 4.36Å; V239-V259 PolarHBondContact N-O 3.08Å; V239-V259 PolarHBondContact O-N 3.46Å; V239-I261 HydrophobicContact CB-CD1 4.45Å; V239-I261 HydrophobicContact CG2-CD1 3.69Å; V239-I261 HydrophobicContact CG2-CG1 4.44Å |
| 240 | I | 95.9 | Very high | 91.3 | Very high | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 115 | 176.5 | -57.2 | 177 | 0 | 0 | 0 | 108.4 | L207 Q208 | L207-I240 HydrophobicContact CB-CB 4.36Å; L207-I240 HydrophobicContact CB-CG2 4.2Å; L207-I240 HydrophobicContact CD1-CG2 4.22Å; L207-I240 PolarHBondContact N-O 2.75Å; Q208-I240 HydrophobicContact CB-CB 4.02Å; Q208-I240 HydrophobicContact CB-CD1 4.07Å; Q208-I240 HydrophobicContact CB-CG1 4.03Å; Q208-I240 PolarHBondContact N-O 2.86Å; Q208-I240 PolarHBondContact O-N 3.33Å |
| 241 | I | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.4 | 177 | -55 | -60.6 | 0 | 0 | 0 | 109.5 | F164 V186 Y204 I206 V215 I222 V239 T256 T257 V259 | F164-I241 HydrophobicContact CE1-CG2 4.39Å; F164-I241 HydrophobicContact CZ-CG2 4.07Å; V186-I241 HydrophobicContact CG2-CG1 4.47Å; V186-I241 HydrophobicContact CG2-CG2 4.03Å; Y204-I241 HydrophobicContact CD1-CG2 4.26Å; I206-I241 HydrophobicContact CD1-CD1 4.48Å; I206-I241 HydrophobicContact CG1-CD1 3.69Å; V215-I241 HydrophobicContact CB-CD1 4.49Å; I222-I241 HydrophobicContact CD1-CD1 3.77Å; I222-I241 HydrophobicContact CD1-CG1 3.81Å; I222-I241 HydrophobicContact CG1-CD1 4.21Å; V239-I241 HydrophobicContact CG1-CD1 3.7Å; V239-I241 HydrophobicContact CG1-CG1 4.34Å; I241-T256 CarbonylContact O-C 3.55Å; I241-T256 VanDerWaalsContact O-CA 3.25Å; I241-T256 WeakPolarHBondContact O-CA 3.45Å; I241-T257 HydrophobicContact CB-CG2 4.2Å; I241-T257 PolarHBondContact N-O 2.65Å; I241-T257 PolarHBondContact O-N 3.31Å; I241-V259 HydrophobicContact CG1-CG2 3.89Å |
| 242 | Q | 94.8 | Very high | 90 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 21% | 0.21 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 134.5 | 170.5 | 177 | 175.1 | 73.5 | 0 | 0 | 109.7 | Y204 S205 L207 A254 G255 T256 | Y204-Q242 CarbonylContact C-O 3.56Å; Y204-Q242 WeakPolarHBondContact CA-O 3.32Å; S205-Q242 PolarHBondContact N-O 2.78Å; S205-Q242 PolarHBondContact O-N 3.3Å; L207-Q242 HydrophobicContact CD1-CB 3.9Å; L207-Q242 HydrophobicContact CD2-CB 4.29Å; L207-Q242 HydrophobicContact CG-CB 3.82Å; Q242-A254 HydrophobicContact CG-CB 3.92Å; Q242-G255 WeakPolarHBondContact CA-O 3.42Å; Q242-T256 HydrophobicContact CB-CG2 4.14Å; Q242-T256 HydrophobicContact CG-CG2 4.29Å |
| 243 | A | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | P162 F164 A188 V202 Y204 A254 G255 | P162-A243 HydrophobicContact CB-CB 3.91Å; F164-A243 HydrophobicContact CE1-CB 4.18Å; F164-A243 HydrophobicContact CE2-CB 3.67Å; F164-A243 HydrophobicContact CZ-CB 3.39Å; A188-A243 HydrophobicContact CB-CB 3.51Å; V202-A243 HydrophobicContact CG1-CB 3.61Å; Y204-A243 HydrophobicContact CD1-CB 4.14Å; Y204-A243 HydrophobicContact CE1-CB 4.06Å; A243-A254 CarbonylContact O-C 3.57Å; A243-A254 VanDerWaalsContact O-CA 3.24Å; A243-A254 WeakPolarHBondContact O-CA 3.01Å; A243-G255 PolarHBondContact N-O 2.72Å; A243-G255 PolarHBondContact O-N 3.02Å |
| 244 | K | 93.1 | Very high | 89.8 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 19% | 0.191 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 130.1 | -178.3 | -172.2 | 173.6 | -179.6 | -167.4 | 0 | 110.8 | V202 V203 G248 Q249 G252 L253 A254 | V202-K244 CarbonylContact C-O 3.55Å; V202-K244 WeakPolarHBondContact CA-O 3.3Å; V203-K244 PolarHBondContact N-O 2.86Å; V203-K244 PolarHBondContact O-N 2.77Å; K244-G248 PolarHBondContact NZ-O 3.44Å; K244-Q249 WeakPolarHBondContact CE-O 3.22Å; K244-Q249 PolarHBondContact NZ-O 2.97Å; K244-G252 WeakPolarHBondContact CE-O 3.34Å; K244-L253 WeakPolarHBondContact CA-O 3.23Å; K244-L253 WeakPolarHBondContact CG-O 3.34Å; K244-A254 HydrophobicContact CB-CB 4.15Å; K244-A254 HydrophobicContact CG-CB 4.11Å |
| 245 | D | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -73.2 | -170.7 | 179.8 | 73.2 | 18.7 | 0 | 0 | 0 | 111.9 | N158 P162 D190 S199 R201 G247 G248 G252 L253 | N158-D245 PolarHBondContact ND2-OD2 3.02Å; N158-D245 PolarHBondContact OD1-OD2 3.44Å; P162-D245 HydrophobicContact CG-CB 3.75Å; D190-D245 WeakPolarHBondContact OD2-CB 3.49Å; S199-D245 WeakPolarHBondContact O-CB 3.33Å; R201-D245 CarbonylContact O-C 3.59Å; D245-G247 PolarHBondContact O-N 3.19Å; D245-G248 PolarHBondContact O-N 3.4Å; D245-G252 WeakPolarHBondContact OD1-CA 3.31Å; D245-L253 PolarHBondContact N-O 3.4Å; D245-L253 PolarHBondContact OD1-N 2.83Å; D245-L253 WeakPolarHBondContact OD2-CA 3.3Å; D245-L253 WeakPolarHBondContact OD2-CB 3.41Å; D245-L253 PolarHBondContact OD2-N 3.3Å |
| 246 | M | 86.3 | Confident | 89.8 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | 55.8 | 28.8 | 175.4 | -78.4 | -77.7 | 179.6 | 0 | 0 | 113.8 | N158 N198 S199 R201 G248 Q249 | N158-M246 HydrophobicContact CB-CE 3.48Å; N158-M246 VanDerWaalsContact CB-CE 3.48Å; N198-M246 HydrophobicContact CB-SD 4.25Å; N198-M246 WeakPolarHBondContact O-CA 3.49Å; N198-M246 PolarHBondContact O-N 2.98Å; S199-M246 PolarHBondContact O-N 2.88Å; R201-M246 PolarHBondContact O-N 2.54Å; M246-G248 PolarHBondContact O-N 3.44Å; M246-Q249 WeakPolarHBondContact O-CB 3.33Å; M246-Q249 VanDerWaalsContact O-CG 3.28Å; M246-Q249 WeakPolarHBondContact O-CG 3.43Å; M246-Q249 PolarHBondContact O-N 3.01Å |
| 247 | G | 82.8 | Confident | 89.8 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | 62.6 | 23.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R201 V203 D245 | R201-G247 WeakPolarHBondContact O-CA 3.49Å; R201-G247 PolarHBondContact O-N 3.15Å; V203-G247 VanDerWaalsContact CG2-C 3.44Å; D245-G247 PolarHBondContact O-N 3.19Å |
| 248 | G | 82.2 | Confident | 89.8 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | 80.5 | 8.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | K244 D245 M246 | K244-G248 PolarHBondContact NZ-O 3.44Å; D245-G248 PolarHBondContact O-N 3.4Å; M246-G248 PolarHBondContact O-N 3.44Å |
| 249 | Q | 84.2 | Confident | 89.9 | Confident | 116 Ų | 116 | 41.4 Ų | 41.4 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | trans | -70.8 | 165.3 | -174.5 | -67.1 | -178.8 | -7 | 0 | 0 | 113.6 | K244 M246 G251 G252 | K244-Q249 WeakPolarHBondContact CE-O 3.22Å; K244-Q249 PolarHBondContact NZ-O 2.97Å; M246-Q249 WeakPolarHBondContact O-CB 3.33Å; M246-Q249 VanDerWaalsContact O-CG 3.28Å; M246-Q249 WeakPolarHBondContact O-CG 3.43Å; M246-Q249 PolarHBondContact O-N 3.01Å; Q249-G251 PolarHBondContact O-N 3.14Å; Q249-G252 PolarHBondContact O-N 2.75Å | ||
| 250 | L | 75.4 | Confident | 89.9 | Confident | 181 Ų | 181 | 44.9 Ų | 44.9 | 95% | 0.948 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 121.4 | 173.1 | -75.9 | 164.2 | 0 | 0 | 0 | 109.2 | ||
| 251 | G | 74.5 | Confident | 89.9 | Confident | 76 Ų | 76 | 43 Ų | 43 | 78% | 0.784 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113 | -12.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q249 | Q249-G251 PolarHBondContact O-N 3.14Š|
| 252 | G | 84.7 | Confident | 89.9 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | trans | -77.8 | 148.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | K244 D245 Q249 | K244-G252 WeakPolarHBondContact CE-O 3.34Å; D245-G252 WeakPolarHBondContact OD1-CA 3.31Å; Q249-G252 PolarHBondContact O-N 2.75Å | ||
| 253 | L | 90.1 | Very high | 90 | Very high | 65 Ų | 65 | 43 Ų | 43 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | trans | -80.4 | 157 | 174.2 | -50.6 | 171.8 | 0 | 0 | 0 | 110.4 | E161 K244 D245 | E161-L253 HydrophobicContact CB-CB 3.65Å; E161-L253 HydrophobicContact CB-CD1 4.28Å; K244-L253 WeakPolarHBondContact CA-O 3.23Å; K244-L253 WeakPolarHBondContact CG-O 3.34Å; D245-L253 PolarHBondContact N-O 3.4Å; D245-L253 PolarHBondContact OD1-N 2.83Å; D245-L253 WeakPolarHBondContact OD2-CA 3.3Å; D245-L253 WeakPolarHBondContact OD2-CB 3.41Å; D245-L253 PolarHBondContact OD2-N 3.3Å | ||
| 254 | A | 92.7 | Very high | 89.9 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 124.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q242 A243 K244 | Q242-A254 HydrophobicContact CG-CB 3.92Å; A243-A254 CarbonylContact O-C 3.57Å; A243-A254 VanDerWaalsContact O-CA 3.24Å; A243-A254 WeakPolarHBondContact O-CA 3.01Å; K244-A254 HydrophobicContact CB-CB 4.15Å; K244-A254 HydrophobicContact CG-CB 4.11Å |
| 255 | G | 92.6 | Very high | 89.8 | Confident | 9 Ų | 9 | 44.5 Ų | 44.5 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 154 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P162 Q242 A243 | P162-G255 WeakPolarHBondContact O-CA 3.49Å; Q242-G255 WeakPolarHBondContact CA-O 3.42Å; A243-G255 PolarHBondContact N-O 2.72Å; A243-G255 PolarHBondContact O-N 3.02Å |
| 256 | T | 94.4 | Very high | 89.7 | Confident | 85 Ų | 85 | 44.9 Ų | 44.9 | 52% | 0.521 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.2 | 175 | 59.7 | 0 | 0 | 0 | 0 | 111.8 | L207 I241 Q242 | L207-T256 HydrophobicContact CD1-CG2 3.76Å; I241-T256 CarbonylContact O-C 3.55Å; I241-T256 VanDerWaalsContact O-CA 3.25Å; I241-T256 WeakPolarHBondContact O-CA 3.45Å; Q242-T256 HydrophobicContact CB-CG2 4.14Å; Q242-T256 HydrophobicContact CG-CG2 4.29Å |
| 257 | T | 94.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 152.6 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | F164 Y169 I241 | F164-T257 HydrophobicContact CB-CG2 4.41Å; F164-T257 HydrophobicContact CD1-CG2 3.56Å; F164-T257 HydrophobicContact CD2-CG2 3.74Å; F164-T257 HydrophobicContact CE1-CG2 3.58Å; F164-T257 HydrophobicContact CE2-CG2 3.77Å; F164-T257 HydrophobicContact CG-CG2 3.63Å; F164-T257 HydrophobicContact CZ-CG2 3.68Å; Y169-T257 HydrophobicContact CD2-CG2 4.06Å; Y169-T257 HydrophobicContact CE2-CG2 3.88Å; I241-T257 HydrophobicContact CB-CG2 4.2Å; I241-T257 PolarHBondContact N-O 2.65Å; I241-T257 PolarHBondContact O-N 3.31Å |
| 258 | T | 95.7 | Very high | 90 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 140.9 | 173.9 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | Y169 E238 N260 | Y169-T258 PolarHBondContact N-O 2.9Å; E238-T258 HydrophobicContact CG-CG2 3.56Å; T258-N260 WeakPolarHBondContact CG2-OD1 3.42Å |
| 259 | V | 96 | Very high | 90.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 112.7 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | Y169 I184 V186 I222 V239 I241 I261 | Y169-V259 HydrophobicContact CD2-CG2 4.32Å; Y169-V259 CarbonylContact O-C 3.53Å; Y169-V259 WeakPolarHBondContact O-CA 3.3Å; I184-V259 HydrophobicContact CG2-CG1 3.85Å; V186-V259 HydrophobicContact CG1-CG2 3.93Å; I222-V259 HydrophobicContact CD1-CB 4.34Å; I222-V259 HydrophobicContact CD1-CG1 4.22Å; I222-V259 HydrophobicContact CD1-CG2 3.88Å; V239-V259 HydrophobicContact CB-CB 4.36Å; V239-V259 PolarHBondContact N-O 3.08Å; V239-V259 PolarHBondContact O-N 3.46Å; I241-V259 HydrophobicContact CG1-CG2 3.89Å; V259-I261 HydrophobicContact CG1-CD1 4.35Å; V259-I261 HydrophobicContact CG1-CG1 3.91Å |
| 260 | N | 96.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.4 | 176.7 | -68.9 | -16.8 | 0 | 0 | 0 | 108.9 | Y169 V170 A171 T258 | Y169-N260 PolarHBondContact O-N 2.94Å; V170-N260 WeakPolarHBondContact CA-O 3.35Å; A171-N260 PolarHBondContact N-O 2.95Å; T258-N260 WeakPolarHBondContact CG2-OD1 3.42Å |
| 261 | I | 96.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.3 | -178.4 | -55.1 | 172.1 | 0 | 0 | 0 | 108.9 | A171 V173 V183 F213 I222 Y237 V239 V259 | A171-I261 VanDerWaalsContact O-CA 3.3Å; A171-I261 WeakPolarHBondContact O-CA 3.41Å; V173-I261 HydrophobicContact CG1-CG2 3.86Å; V183-I261 HydrophobicContact CG1-CD1 4.06Å; V183-I261 HydrophobicContact CG1-CG1 4.22Å; V183-I261 HydrophobicContact CG1-CG2 4.05Å; F213-I261 HydrophobicContact CD1-CD1 3.82Å; F213-I261 HydrophobicContact CD2-CD1 4.06Å; F213-I261 HydrophobicContact CE1-CD1 3.6Å; F213-I261 HydrophobicContact CE1-CG2 4.07Å; F213-I261 HydrophobicContact CE2-CD1 3.86Å; F213-I261 HydrophobicContact CG-CD1 4.04Å; F213-I261 HydrophobicContact CZ-CB 4.09Å; F213-I261 HydrophobicContact CZ-CD1 3.61Å; F213-I261 HydrophobicContact CZ-CG1 4.45Å; F213-I261 HydrophobicContact CZ-CG2 3.74Å; I222-I261 HydrophobicContact CG2-CD1 4.45Å; Y237-I261 PolarHBondContact N-O 3.29Å; Y237-I261 PolarHBondContact O-N 3.49Å; V239-I261 HydrophobicContact CB-CD1 4.45Å; V239-I261 HydrophobicContact CG2-CD1 3.69Å; V239-I261 HydrophobicContact CG2-CG1 4.44Å; V259-I261 HydrophobicContact CG1-CD1 4.35Å; V259-I261 HydrophobicContact CG1-CG1 3.91Å |
| 262 | T | 96.1 | Very high | 92.2 | Very high | 37 Ų | 37 | 30.9 Ų | 30.9 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.4 | 171.7 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | A171 S172 V173 Y236 | A171-T262 PolarHBondContact O-N 3.26Å; S172-T262 VanDerWaalsContact CA-O 3.22Å; S172-T262 WeakPolarHBondContact CA-O 3.23Å; V173-T262 PolarHBondContact N-O 3.08Å; Y236-T262 HydrophobicContact CD1-CG2 3.63Å; Y236-T262 HydrophobicContact CE1-CG2 3.5Å; Y236-T262 VanDerWaalsContact CE1-CG2 3.5Å |
| 263 | L | 95.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.2 | 168.6 | -64.7 | -172.3 | 0 | 0 | 0 | 109.3 | V173 E175 M229 R231 E235 Y237 | V173-L263 HydrophobicContact CG1-CD2 3.56Å; V173-L263 CarbonylContact O-C 3.56Å; V173-L263 VanDerWaalsContact O-CA 3.28Å; V173-L263 WeakPolarHBondContact O-CA 3.28Å; E175-L263 HydrophobicContact CB-CB 4.43Å; E175-L263 HydrophobicContact CB-CD1 4.29Å; M229-L263 HydrophobicContact CB-CD1 4.04Å; M229-L263 HydrophobicContact CE-CD1 4.42Å; M229-L263 HydrophobicContact CE-CD2 3.93Å; R231-L263 HydrophobicContact CB-CB 3.99Å; R231-L263 HydrophobicContact CB-CD1 4.42Å; R231-L263 HydrophobicContact CG-CB 4.03Å; E235-L263 PolarHBondContact O-N 2.99Å; Y237-L263 HydrophobicContact CD2-CG 4.31Å; Y237-L263 HydrophobicContact CE2-CD1 3.79Å; Y237-L263 HydrophobicContact CE2-CD2 4.45Å; Y237-L263 HydrophobicContact CE2-CG 3.9Å |
| 264 | S | 92.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 32% | 0.315 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.8 | 170.9 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | V173 P174 E175 | V173-S264 PolarHBondContact O-N 3.2Å; P174-S264 WeakPolarHBondContact CA-O 3.4Å; P174-S264 WeakPolarHBondContact CA-OG 3.29Å; E175-S264 PolarHBondContact N-O 3.49Å; E175-S264 VanDerWaalsContact N-O 3.12Å |
| 265 | D | 91.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.171 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 142.4 | -177 | -167.3 | 82.4 | 0 | 0 | 0 | 113.2 | E175 R231 E302 N305 | E175-D265 WeakPolarHBondContact OE1-CA 3.48Å; R231-D265 IonicContact CZ-OD1 3.55Å; R231-D265 IonicContact NE-OD1 3.88Å; R231-D265 PolarHBondContact NE-OD1 2.88Å; R231-D265 IonicContact NH2-OD1 2.88Å; D265-E302 HydrophobicContact CB-CB 4.43Å; D265-E302 VanDerWaalsContact CG-N 3.3Å; D265-E302 PolarHBondContact OD1-N 3.49Å; D265-E302 VanDerWaalsContact OD1-N 3.16Å; D265-E302 PolarHBondContact OD2-N 3.12Å; D265-N305 PolarHBondContact O-ND2 3.48Å; D265-N305 VanDerWaalsContact OD2-CB 3.26Å; D265-N305 WeakPolarHBondContact OD2-CB 3.35Å; D265-N305 PolarHBondContact OD2-ND2 2.81Å |
| 266 | V | 88.9 | Confident | 92.8 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | trans | -132.7 | 143.6 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | P174 E175 D268 F363 | P174-V266 HydrophobicContact CB-CG2 4.1Å; E175-V266 HydrophobicContact CG-CB 3.82Å; E175-V266 HydrophobicContact CG-CG2 3.92Å; E175-V266 PolarHBondContact OE1-N 3.29Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.1Å; V266-F363 HydrophobicContact CB-CE2 4.49Å; V266-F363 HydrophobicContact CG1-CD2 3.57Å; V266-F363 HydrophobicContact CG1-CE1 4.06Å; V266-F363 HydrophobicContact CG1-CE2 3.02Å; V266-F363 HydrophobicContact CG1-CG 4.32Å; V266-F363 HydrophobicContact CG1-CZ 3.32Å | ||
| 267 | N | 88.9 | Confident | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -72.5 | 82.6 | 178 | -169.9 | -7.6 | 0 | 0 | 0 | 112.1 | D301 N305 H358 F363 F369 | N267-D301 VanDerWaalsContact CA-OD2 3.25Å; N267-D301 WeakPolarHBondContact CA-OD2 3.38Å; N267-D301 PolarHBondContact OD1-OD2 2.69Å; N267-N305 HydrophobicContact CB-CB 3.79Å; N267-H358 PolarHBondContact ND2-O 2.82Å; N267-F363 WeakPolarHBondContact O-CB 3.47Å; N267-F369 VanDerWaalsContact O-CE1 3.26Å; N267-F369 WeakPolarHBondContact O-CE1 3.48Å; N267-F369 VanDerWaalsContact O-CZ 3.25Å; N267-F369 WeakPolarHBondContact O-CZ 3.47Å; N267-F369 WeakPolarHBondContact OD1-CD1 3.09Å; N267-F369 WeakPolarHBondContact OD1-CE1 3.34Å |
| 268 | D | 86.2 | Confident | 92.9 | Very high | 14 Ų | 14 | 47 Ų | 47 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | trans | -112.3 | -15.9 | 178.3 | 79.6 | -57.2 | 0 | 0 | 0 | 112.9 | M176 V266 D301 L366 | M176-D268 HydrophobicContact CE-CB 3.85Å; M176-D268 WeakPolarHBondContact CE-OD2 3.13Å; M176-D268 HydrophobicContact SD-CB 4.11Å; V266-D268 VanDerWaalsContact C-N 3.31Å; V266-D268 PolarHBondContact O-N 3.1Å; D268-D301 PolarHBondContact N-OD2 3.44Å; D268-L366 HydrophobicContact CB-CD1 3.73Å | ||
| 269 | N | 87.9 | Confident | 92.9 | Very high | 37 Ų | 37 | 53.2 Ų | 53.2 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -101 | 120.3 | 176 | -64.5 | -84.4 | 0 | 0 | 0 | 111.7 | D299 L300 D301 | N269-D299 VanDerWaalsContact O-OD1 3.13Å; N269-L300 HydrophobicContact CB-CB 3.98Å; N269-D301 WeakPolarHBondContact CB-OD1 3.36Å; N269-D301 PolarHBondContact N-OD1 2.99Å; N269-D301 PolarHBondContact N-OD2 3.31Å; N269-D301 PolarHBondContact ND2-OD1 2.79Å |
| 270 | P | 88.8 | Confident | 92.9 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 148.4 | 174.2 | 30.1 | -34.3 | 0 | 0 | 0 | 111.3 | P368 F369 | P270-P368 VanDerWaalsContact CB-O 3.24Å; P270-P368 WeakPolarHBondContact CB-O 3.37Å; P270-F369 HydrophobicContact CB-CD1 4.3Å |
| 271 | P | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 140.3 | 178.6 | 24.8 | -35.5 | 0 | 0 | 0 | 109.6 | A297 D299 N356 D371 | P271-A297 HydrophobicContact CB-CB 4.12Å; P271-D299 WeakPolarHBondContact CD-OD2 3.5Å; P271-N356 WeakPolarHBondContact CD-OD1 3.45Å; P271-D371 WeakPolarHBondContact O-CB 3.32Å |
| 272 | R | 92.8 | Very high | 92.9 | Very high | 117 Ų | 117 | 54 Ų | 54 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -129.5 | 126.8 | -178.7 | -64.3 | -60.2 | -179.4 | -171.7 | -4.6 | 112 | K298 | R272-K298 PolarHBondContact N-O 3.44Å; R272-K298 PolarHBondContact O-N 3.1Å |
| 273 | F | 94.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 56.1 Ų | 56.1 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -72.2 | 128.4 | 168.2 | -72.4 | -81.9 | 0 | 0 | 0 | 109.7 | Q275 Y278 V295 A297 Y310 V352 D371 T373 | F273-Q275 WeakPolarHBondContact CB-O 3.36Å; F273-Q275 PolarHBondContact O-N 3.5Å; F273-Y278 HydrophobicContact CD1-CE2 4.2Å; F273-V295 HydrophobicContact CE1-CB 4.15Å; F273-V295 HydrophobicContact CE1-CG2 4.34Å; F273-A297 HydrophobicContact CD1-CB 4.03Å; F273-A297 HydrophobicContact CD2-CB 4.26Å; F273-A297 HydrophobicContact CE1-CB 3.92Å; F273-A297 HydrophobicContact CE2-CB 4.14Å; F273-A297 HydrophobicContact CG-CB 4.21Å; F273-A297 HydrophobicContact CZ-CB 3.97Å; F273-Y310 HydrophobicContact CE1-CD1 4.34Å; F273-Y310 AromaticContact CE1-CE1 3.75Å; F273-Y310 HydrophobicContact CE1-CE1 3.75Å; F273-Y310 AromaticContact CZ-CD1 3.97Å; F273-Y310 HydrophobicContact CZ-CD1 3.97Å; F273-Y310 AromaticContact CZ-CE1 3.69Å; F273-Y310 HydrophobicContact CZ-CE1 3.69Å; F273-V352 HydrophobicContact CZ-CG1 4.34Å; F273-D371 HydrophobicContact CD2-CB 4.08Å; F273-D371 WeakPolarHBondContact CE2-O 3.35Å; F273-D371 PolarHBondContact N-OD2 3.44Å; F273-T373 HydrophobicContact CB-CG2 4.44Å; F273-T373 HydrophobicContact CD1-CG2 3.6Å; F273-T373 HydrophobicContact CD2-CG2 3.98Å; F273-T373 HydrophobicContact CE1-CG2 3.69Å; F273-T373 HydrophobicContact CE2-CG2 4.06Å; F273-T373 HydrophobicContact CG-CG2 3.74Å; F273-T373 HydrophobicContact CZ-CG2 3.92Å | ||
| 274 | P | 93.4 | Very high | 92.9 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 66% | 0.656 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -65.9 | -23.3 | 177.7 | 26.9 | -33.6 | 0 | 0 | 0 | 112 | Y278 V296 | P274-Y278 WeakPolarHBondContact CD-OH 3.41Å; P274-Y278 WeakPolarHBondContact CG-OH 3.35Å; P274-V296 WeakPolarHBondContact CD-O 3.44Å |
| 275 | Q | 92.9 | Very high | 92.9 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | trans | -124.6 | 137.6 | 178.2 | -58.4 | 178.4 | -4.3 | 0 | 0 | 110.7 | F273 H277 Y278 T373 | F273-Q275 WeakPolarHBondContact CB-O 3.36Å; F273-Q275 PolarHBondContact O-N 3.5Å; Q275-H277 VanDerWaalsContact C-N 3.35Å; Q275-Y278 HydrophobicContact CB-CD2 4.37Å; Q275-Y278 HydrophobicContact CB-CE1 4.32Å; Q275-Y278 HydrophobicContact CB-CE2 3.85Å; Q275-Y278 WeakPolarHBondContact O-CE2 3.47Å; Q275-T373 PolarHBondContact O-OG1 2.8Å | ||
| 276 | K | 92.2 | Very high | 93.1 | Very high | 172 Ų | 172 | 57.1 Ų | 57.1 | 75% | 0.748 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -78.5 | -21.8 | 174.6 | -64.3 | -171.6 | 177.9 | -175.8 | 0 | 113.5 | T373 T374 | K276-T373 PolarHBondContact O-OG1 3.39Å; K276-T373 VanDerWaalsContact O-OG1 3.11Å; K276-T374 PolarHBondContact O-N 2.66Å; K276-T374 PolarHBondContact O-OG1 3.14Å |
| 277 | H | 95.1 | Very high | 93.4 | Very high | 135 Ų | 135 | 61.2 Ų | 61.2 | 63% | 0.625 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122.7 | -176.4 | -56.4 | -65.5 | 0 | 0 | 0 | 108.7 | Q275 T374 | Q275-H277 VanDerWaalsContact C-N 3.35Å; H277-T374 CarbonylContact C-O 3.57Å; H277-T374 VanDerWaalsContact CA-O 3.26Å; H277-T374 WeakPolarHBondContact CA-O 3.37Å; H277-T374 PolarHBondContact CE1-OG1 3.41Å; H277-T374 PolarHBondContact ND1-OG1 2.96Å |
| 278 | Y | 95.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142 | 169.2 | -70.9 | -95.8 | 0 | 0 | 0 | 109 | F273 P274 Q275 M280 V295 T373 T374 V375 H376 | F273-Y278 HydrophobicContact CD1-CE2 4.2Å; P274-Y278 WeakPolarHBondContact CD-OH 3.41Å; P274-Y278 WeakPolarHBondContact CG-OH 3.35Å; Q275-Y278 HydrophobicContact CB-CD2 4.37Å; Q275-Y278 HydrophobicContact CB-CE1 4.32Å; Q275-Y278 HydrophobicContact CB-CE2 3.85Å; Q275-Y278 WeakPolarHBondContact O-CE2 3.47Å; Y278-M280 HydrophobicContact CD1-CE 4.4Å; Y278-M280 HydrophobicContact CG-CE 4.47Å; Y278-V295 HydrophobicContact CD1-CG1 4.3Å; Y278-V295 HydrophobicContact CD2-CG1 4.14Å; Y278-V295 HydrophobicContact CE2-CG1 4.42Å; Y278-V295 HydrophobicContact CG-CG1 4.09Å; Y278-T373 HydrophobicContact CD2-CG2 3.88Å; Y278-T373 WeakPolarHBondContact CD2-OG1 3.26Å; Y278-T373 HydrophobicContact CE2-CG2 3.84Å; Y278-T374 PolarHBondContact N-O 3.27Å; Y278-V375 WeakPolarHBondContact O-CA 3Å; Y278-H376 PolarHBondContact O-N 3.02Å |
| 279 | Q | 96.1 | Very high | 94 | Very high | 172 Ų | 172 | 68.4 Ų | 68.4 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.3 | 171.6 | -70.7 | -179 | -5.4 | 0 | 0 | 108.4 | H376 | Q279-H376 WeakPolarHBondContact CA-O 3.27Å; Q279-H376 HydrophobicContact CG-CB 4.49Å |
| 280 | M | 95.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 12% | 0.123 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.5 | -179.1 | -56 | -178.7 | 179.3 | 0 | 0 | 108.2 | Y278 V292 R294 V295 I334 V375 H376 I377 S378 | Y278-M280 HydrophobicContact CD1-CE 4.4Å; Y278-M280 HydrophobicContact CG-CE 4.47Å; M280-V292 HydrophobicContact CB-CG1 4.11Å; M280-V292 HydrophobicContact SD-CG1 4.5Å; M280-R294 WeakPolarHBondContact CE-O 3.22Å; M280-V295 HydrophobicContact CE-CG1 3.52Å; M280-I334 HydrophobicContact CE-CD1 4.4Å; M280-I334 HydrophobicContact SD-CD1 4.21Å; M280-V375 HydrophobicContact CE-CG1 3.9Å; M280-V375 HydrophobicContact CG-CG1 4.03Å; M280-V375 HydrophobicContact SD-CG1 3.63Å; M280-H376 PolarHBondContact N-O 3.4Å; M280-I377 CarbonylContact O-C 3.36Å; M280-I377 WeakPolarHBondContact O-CA 3.45Å; M280-S378 PolarHBondContact O-N 2.73Å; M280-S378 PolarHBondContact O-OG 3.45Å |
| 281 | S | 96.1 | Very high | 94.7 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.8 | 172 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | S378 E380 | S281-S378 VanDerWaalsContact CA-O 3.24Å; S281-S378 WeakPolarHBondContact CA-O 3.4Å; S281-S378 WeakPolarHBondContact CB-OG 3.38Å; S281-E380 WeakPolarHBondContact CB-OE1 3.25Å; S281-E380 PolarHBondContact OG-OE1 3.02Å |
| 282 | V | 96.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 72.5 Ų | 72.5 | 7% | 0.067 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.7 | 177.8 | 60.7 | 0 | 0 | 0 | 0 | 108.4 | A286 V292 F321 V336 L340 I377 S378 V379 E380 | V282-A286 HydrophobicContact CG2-CB 3.62Å; V282-V292 HydrophobicContact CB-CG1 4.06Å; V282-V292 HydrophobicContact CB-CG2 4.33Å; V282-V292 HydrophobicContact CG1-CG1 4.37Å; V282-V292 HydrophobicContact CG2-CG2 4.23Å; V282-F321 HydrophobicContact CG1-CE1 4.47Å; V282-V336 HydrophobicContact CG2-CG2 4.06Å; V282-L340 HydrophobicContact CB-CD1 4.38Å; V282-L340 HydrophobicContact CG1-CD1 3.52Å; V282-L340 HydrophobicContact CG2-CD1 3.92Å; V282-I377 HydrophobicContact CG1-CG2 3.62Å; V282-S378 PolarHBondContact N-O 3.38Å; V282-S378 VanDerWaalsContact N-O 3.08Å; V282-V379 CarbonylContact O-C 3.59Å; V282-V379 WeakPolarHBondContact O-CA 3.35Å; V282-E380 PolarHBondContact O-N 3.05Å |
| 283 | L | 96.1 | Very high | 95 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 142.8 | 174 | -59.7 | 174 | 0 | 0 | 0 | 109.4 | S285 A286 E380 V382 | L283-S285 PolarHBondContact O-N 3.29Å; L283-A286 WeakPolarHBondContact O-CB 3.46Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; L283-E380 HydrophobicContact CD2-CB 3.9Å; L283-V382 HydrophobicContact CB-CG2 4.05Å; L283-V382 HydrophobicContact CD2-CG2 3.84Å; L283-V382 HydrophobicContact CG-CG2 4.41Å |
| 284 | E | 95.3 | Very high | 95 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -30.8 | 176.3 | 75 | -169.9 | 119.7 | 0 | 0 | 113.4 | A286 L340 F342 V379 E380 D381 V382 | E284-A286 PolarHBondContact O-N 2.95Å; E284-L340 HydrophobicContact CB-CB 4.29Å; E284-F342 HydrophobicContact CB-CB 4.45Å; E284-F342 WeakPolarHBondContact OE2-CB 3.23Å; E284-F342 PolarHBondContact OE2-N 2.87Å; E284-V379 HydrophobicContact CB-CG1 3.67Å; E284-E380 PolarHBondContact N-O 2.84Å; E284-D381 WeakPolarHBondContact OE1-CA 3.32Å; E284-V382 HydrophobicContact CG-CB 4.25Å; E284-V382 PolarHBondContact OE1-N 3.02Å |
| 285 | S | 94.1 | Very high | 95.1 | Very high | 79 Ų | 79 | 69.6 Ų | 69.6 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.1 | 174.8 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | L283 | L283-S285 PolarHBondContact O-N 3.29Š|
| 286 | A | 95.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -63 | 127 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V282 L283 E284 S290 | V282-A286 HydrophobicContact CG2-CB 3.62Å; L283-A286 WeakPolarHBondContact O-CB 3.46Å; L283-A286 PolarHBondContact O-N 2.95Å; L283-A286 VanDerWaalsContact O-N 3.07Å; E284-A286 PolarHBondContact O-N 2.95Å; A286-S290 WeakPolarHBondContact CB-OG 3.33Å |
| 287 | P | 95.2 | Very high | 95.2 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 60% | 0.604 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 156.4 | -177.6 | 26.7 | -33.8 | 0 | 0 | 0 | 111.1 | S289 S290 | P287-S289 PolarHBondContact O-N 2.82Å; P287-S290 WeakPolarHBondContact O-CB 3.49Å; P287-S290 PolarHBondContact O-N 2.83Å; P287-S290 PolarHBondContact O-OG 2.93Å |
| 288 | V | 94.8 | Very high | 95 | Very high | 73 Ų | 73 | 60 Ų | 60 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 140.8 | 169.6 | 178.9 | 0 | 0 | 0 | 0 | 109 | S290 R337 P339 | V288-S290 VanDerWaalsContact C-N 3.29Å; V288-R337 WeakPolarHBondContact CG1-O 3.47Å; V288-P339 HydrophobicContact CG2-CG 4.24Å |
| 289 | S | 94 | Very high | 94.9 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | -0.7 | -171 | 76.8 | 0 | 0 | 0 | 0 | 116.7 | P287 V336 | P287-S289 PolarHBondContact O-N 2.82Å; S289-V336 WeakPolarHBondContact CA-O 3.34Å; S289-V336 PolarHBondContact N-O 2.92Å |
| 290 | S | 95.1 | Very high | 94.6 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | trans | -61 | 145.3 | 172 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | A286 P287 V288 T335 V336 | A286-S290 WeakPolarHBondContact CB-OG 3.33Å; P287-S290 WeakPolarHBondContact O-CB 3.49Å; P287-S290 PolarHBondContact O-N 2.83Å; P287-S290 PolarHBondContact O-OG 2.93Å; V288-S290 VanDerWaalsContact C-N 3.29Å; S290-T335 CarbonylContact O-C 3.57Å; S290-T335 WeakPolarHBondContact O-CA 3.29Å; S290-T335 WeakPolarHBondContact O-CB 3.46Å; S290-V336 PolarHBondContact O-N 3.36Å; S290-V336 VanDerWaalsContact OG-CG2 3.27Å; S290-V336 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 291 | T | 96.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 55 Ų | 55 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.6 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | I333 T335 | T291-I333 HydrophobicContact CG2-CG2 3.86Å; T291-T335 HydrophobicContact CG2-CG2 4.24Å |
| 292 | V | 96.5 | Very high | 94.1 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -45.1 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | M280 V282 F321 I334 V336 I377 | M280-V292 HydrophobicContact CB-CG1 4.11Å; M280-V292 HydrophobicContact SD-CG1 4.5Å; V282-V292 HydrophobicContact CB-CG1 4.06Å; V282-V292 HydrophobicContact CB-CG2 4.33Å; V282-V292 HydrophobicContact CG1-CG1 4.37Å; V282-V292 HydrophobicContact CG2-CG2 4.23Å; V292-F321 HydrophobicContact CG2-CD1 3.9Å; V292-F321 HydrophobicContact CG2-CE1 3.77Å; V292-I334 HydrophobicContact CB-CG2 4.27Å; V292-I334 HydrophobicContact CG2-CG2 4.36Å; V292-I334 PolarHBondContact N-O 3.49Å; V292-V336 HydrophobicContact CG2-CG2 3.76Å; V292-I377 HydrophobicContact CG1-CD1 4.05Å; V292-I377 HydrophobicContact CG1-CG1 4.26Å; V292-I377 HydrophobicContact CG1-CG2 3.86Å |
| 293 | G | 94.5 | Very high | 93.7 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.2 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I334 | G293-I334 PolarHBondContact O-N 3.3Å |
| 294 | R | 95.2 | Very high | 93.2 | Very high | 157 Ų | 157 | 60.8 Ų | 60.8 | 59% | 0.592 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 137.3 | -174.1 | -65.8 | -179.5 | -176.7 | -170.8 | -0.5 | 110 | M280 V331 G332 I333 | M280-R294 WeakPolarHBondContact CE-O 3.22Å; R294-V331 HydrophobicContact CB-CG1 3.67Å; R294-V331 HydrophobicContact CG-CG1 4Å; R294-G332 CarbonylContact C-O 3.6Å; R294-G332 WeakPolarHBondContact CA-O 3.46Å; R294-I333 HydrophobicContact CG-CG1 4.32Å |
| 295 | V | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.5 | 171.7 | -65.8 | 0 | 0 | 0 | 0 | 109.5 | F273 Y278 M280 Y310 I323 G332 I334 V352 V375 | F273-V295 HydrophobicContact CE1-CB 4.15Å; F273-V295 HydrophobicContact CE1-CG2 4.34Å; Y278-V295 HydrophobicContact CD1-CG1 4.3Å; Y278-V295 HydrophobicContact CD2-CG1 4.14Å; Y278-V295 HydrophobicContact CE2-CG1 4.42Å; Y278-V295 HydrophobicContact CG-CG1 4.09Å; M280-V295 HydrophobicContact CE-CG1 3.52Å; V295-Y310 HydrophobicContact CG2-CD1 4.21Å; V295-Y310 HydrophobicContact CG2-CE1 4.35Å; V295-I323 HydrophobicContact CG2-CD1 4.1Å; V295-G332 PolarHBondContact N-O 3.21Å; V295-G332 PolarHBondContact O-N 3.28Å; V295-I334 HydrophobicContact CG1-CD1 4.29Å; V295-V352 HydrophobicContact CG2-CG1 3.99Å; V295-V375 HydrophobicContact CG1-CG2 3.84Å |
| 296 | V | 93.9 | Very high | 92.6 | Very high | 66 Ų | 66 | 58 Ų | 58 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | trans | -133 | 120 | -177.4 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | P274 Y310 V331 | P274-V296 WeakPolarHBondContact CD-O 3.44Å; V296-Y310 WeakPolarHBondContact CA-OH 3.4Å; V296-V331 HydrophobicContact CG2-CB 4.18Å; V296-V331 HydrophobicContact CG2-CG1 3.74Å; V296-V331 HydrophobicContact CG2-CG2 3.74Å | ||
| 297 | A | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | trans | -86.4 | 143.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P271 F273 M308 Y310 | P271-A297 HydrophobicContact CB-CB 4.12Å; F273-A297 HydrophobicContact CD1-CB 4.03Å; F273-A297 HydrophobicContact CD2-CB 4.26Å; F273-A297 HydrophobicContact CE1-CB 3.92Å; F273-A297 HydrophobicContact CE2-CB 4.14Å; F273-A297 HydrophobicContact CG-CB 4.21Å; F273-A297 HydrophobicContact CZ-CB 3.97Å; A297-M308 HydrophobicContact CB-SD 4.23Å; A297-Y310 HydrophobicContact CB-CE1 4.25Å; A297-Y310 PolarHBondContact N-OH 3.18Å | ||
| 298 | K | 91.6 | Very high | 92.1 | Very high | 141 Ų | 141 | 57 Ų | 57 | 61% | 0.613 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -102.2 | 123.9 | 175.6 | -173.4 | 177 | -179.7 | -176.8 | 0 | 108.8 | R272 | R272-K298 PolarHBondContact N-O 3.44Å; R272-K298 PolarHBondContact O-N 3.1Å |
| 299 | D | 91.8 | Very high | 92 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | trans | -105.3 | 148.9 | 167.8 | -150.4 | -50.5 | 0 | 0 | 0 | 108.9 | N269 P271 D301 A306 M308 N356 | N269-D299 VanDerWaalsContact O-OD1 3.13Å; P271-D299 WeakPolarHBondContact CD-OD2 3.5Å; D299-D301 PolarHBondContact OD1-N 2.89Å; D299-D301 VanDerWaalsContact OD1-N 3.13Å; D299-A306 HydrophobicContact CB-CB 3.95Å; D299-M308 HydrophobicContact CB-CE 4.15Å; D299-N356 PolarHBondContact OD2-ND2 3.27Å | ||
| 300 | L | 90.8 | Very high | 92.1 | Very high | 91 Ų | 91 | 56.3 Ų | 56.3 | 48% | 0.476 | 29% | 0.294 | S | S | . | . | trans | -97.5 | -15.6 | 179 | -64.8 | -178.8 | 0 | 0 | 0 | 112.7 | R231 E232 N269 | R231-L300 PolarHBondContact NH2-O 2.74Å; E232-L300 HydrophobicContact CG-CB 4.03Å; N269-L300 HydrophobicContact CB-CB 3.98Å | ||
| 301 | D | 91.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.064 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -73.3 | 179 | 179.2 | -57.9 | -16.2 | 0 | 0 | 0 | 110.9 | N267 D268 N269 D299 N305 A306 | N267-D301 VanDerWaalsContact CA-OD2 3.25Å; N267-D301 WeakPolarHBondContact CA-OD2 3.38Å; N267-D301 PolarHBondContact OD1-OD2 2.69Å; D268-D301 PolarHBondContact N-OD2 3.44Å; N269-D301 WeakPolarHBondContact CB-OD1 3.36Å; N269-D301 PolarHBondContact N-OD1 2.99Å; N269-D301 PolarHBondContact N-OD2 3.31Å; N269-D301 PolarHBondContact ND2-OD1 2.79Å; D299-D301 PolarHBondContact OD1-N 2.89Å; D299-D301 VanDerWaalsContact OD1-N 3.13Å; D301-N305 HydrophobicContact CB-CB 3.81Å; D301-A306 HydrophobicContact CB-CB 4.28Å; D301-A306 VanDerWaalsContact O-CB 3.24Å; D301-A306 WeakPolarHBondContact O-CB 3.49Å |
| 302 | E | 89 | Confident | 92.1 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 53% | 0.528 | 28% | 0.28 | S | S | . | . | trans | -124.6 | 150.9 | -177.2 | -165.8 | 170.3 | 166.1 | 0 | 0 | 113.8 | R231 D265 I304 N305 | R231-E302 IonicContact CZ-OE2 3.51Å; R231-E302 IonicContact NH1-OE2 3.04Å; R231-E302 PolarHBondContact NH1-OE2 3.16Å; D265-E302 HydrophobicContact CB-CB 4.43Å; D265-E302 VanDerWaalsContact CG-N 3.3Å; D265-E302 PolarHBondContact OD1-N 3.49Å; D265-E302 VanDerWaalsContact OD1-N 3.16Å; D265-E302 PolarHBondContact OD2-N 3.12Å; E302-I304 PolarHBondContact O-N 3.22Å; E302-I304 VanDerWaalsContact O-N 3.16Å; E302-N305 PolarHBondContact O-N 2.79Å | ||
| 303 | G | 87.4 | Confident | 92.1 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 55% | 0.546 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -118.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | N305 E307 | G303-N305 VanDerWaalsContact C-N 3.32Å; G303-E307 PolarHBondContact O-N 2.9Å |
| 304 | I | 87.1 | Confident | 92.1 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -23.3 | -174.7 | -155.5 | 163.8 | 0 | 0 | 0 | 112.9 | E302 E307 H358 | E302-I304 PolarHBondContact O-N 3.22Å; E302-I304 VanDerWaalsContact O-N 3.16Å; I304-E307 PolarHBondContact O-N 2.85Å; I304-H358 WeakPolarHBondContact CG1-CD2 3.5Å; I304-H358 WeakPolarHBondContact CG1-NE2 3.29Å |
| 305 | N | 87.8 | Confident | 92 | Very high | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -76.7 | -35.3 | -179.8 | -66.1 | -33.5 | 0 | 0 | 0 | 110.8 | D265 N267 D301 E302 G303 E307 N356 | D265-N305 PolarHBondContact O-ND2 3.48Å; D265-N305 VanDerWaalsContact OD2-CB 3.26Å; D265-N305 WeakPolarHBondContact OD2-CB 3.35Å; D265-N305 PolarHBondContact OD2-ND2 2.81Å; N267-N305 HydrophobicContact CB-CB 3.79Å; D301-N305 HydrophobicContact CB-CB 3.81Å; E302-N305 PolarHBondContact O-N 2.79Å; G303-N305 VanDerWaalsContact C-N 3.32Å; N305-E307 VanDerWaalsContact C-N 3.33Å; N305-N356 PolarHBondContact O-ND2 2.66Å |
| 306 | A | 88.5 | Confident | 91.9 | Very high | 9 Ų | 9 | 57.2 Ų | 57.2 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -82.5 | -1.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D299 D301 M308 Q330 | D299-A306 HydrophobicContact CB-CB 3.95Å; D301-A306 HydrophobicContact CB-CB 4.28Å; D301-A306 VanDerWaalsContact O-CB 3.24Å; D301-A306 WeakPolarHBondContact O-CB 3.49Å; A306-M308 WeakPolarHBondContact O-CE 3.06Å; A306-M308 PolarHBondContact O-N 2.59Å; A306-Q330 PolarHBondContact O-OE1 3.36Å |
| 307 | E | 90 | Very high | 91.8 | Very high | 79 Ų | 79 | 54 Ų | 54 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | trans | -66.9 | 121.9 | 178.6 | -169.5 | -169.4 | -156.2 | 0 | 0 | 111.1 | G303 I304 N305 N356 S357 H358 | G303-E307 PolarHBondContact O-N 2.9Å; I304-E307 PolarHBondContact O-N 2.85Å; N305-E307 VanDerWaalsContact C-N 3.33Å; E307-N356 CarbonylContact O-C 3.58Å; E307-N356 WeakPolarHBondContact O-CA 3.37Å; E307-S357 WeakPolarHBondContact CB-OG 3.15Å; E307-S357 PolarHBondContact O-N 3.05Å; E307-S357 PolarHBondContact O-OG 3.42Å; E307-S357 PolarHBondContact OE2-OG 2.81Å; E307-H358 IonicContact OE2-CD2 3.73Å; E307-H358 PolarHBondContact OE2-CD2 3.39Å; E307-H358 IonicContact OE2-NE2 3.73Å; E307-H358 PolarHBondContact OE2-NE2 2.89Å | ||
| 308 | M | 90.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.054 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.1 | -173.6 | 64.7 | -170.2 | 77.4 | 0 | 0 | 112.3 | A297 D299 A306 Y310 T325 Q330 A355 | A297-M308 HydrophobicContact CB-SD 4.23Å; D299-M308 HydrophobicContact CB-CE 4.15Å; A306-M308 WeakPolarHBondContact O-CE 3.06Å; A306-M308 PolarHBondContact O-N 2.59Å; M308-Y310 HydrophobicContact CG-CE2 3.68Å; M308-Y310 HydrophobicContact SD-CE2 3.73Å; M308-Y310 VanDerWaalsContact SD-CZ 3.53Å; M308-Y310 PolarHBondContact SD-OH 3.37Å; M308-T325 WeakPolarHBondContact O-CG2 3.41Å; M308-Q330 HydrophobicContact CE-CB 4.23Å; M308-Q330 HydrophobicContact CG-CB 3.96Å; M308-Q330 HydrophobicContact SD-CB 4.19Å; M308-A355 CarbonylContact C-O 3.54Å; M308-A355 WeakPolarHBondContact CA-O 3.39Å |
| 309 | K | 93 | Very high | 91.9 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.3 | 173.9 | -173.5 | 176.7 | -177.5 | 176.7 | 0 | 109.9 | A355 | K309-A355 PolarHBondContact N-O 3.05Å; K309-A355 PolarHBondContact O-N 3.03Å |
| 310 | Y | 95.5 | Very high | 92 | Very high | 6 Ų | 6 | 54 Ų | 54 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 143.6 | 177 | -62 | -94 | 0 | 0 | 0 | 111.8 | F273 V295 V296 A297 M308 I323 T325 Q330 G332 V352 E353 | F273-Y310 HydrophobicContact CE1-CD1 4.34Å; F273-Y310 AromaticContact CE1-CE1 3.75Å; F273-Y310 HydrophobicContact CE1-CE1 3.75Å; F273-Y310 AromaticContact CZ-CD1 3.97Å; F273-Y310 HydrophobicContact CZ-CD1 3.97Å; F273-Y310 AromaticContact CZ-CE1 3.69Å; F273-Y310 HydrophobicContact CZ-CE1 3.69Å; V295-Y310 HydrophobicContact CG2-CD1 4.21Å; V295-Y310 HydrophobicContact CG2-CE1 4.35Å; V296-Y310 WeakPolarHBondContact CA-OH 3.4Å; A297-Y310 HydrophobicContact CB-CE1 4.25Å; A297-Y310 PolarHBondContact N-OH 3.18Å; M308-Y310 HydrophobicContact CG-CE2 3.68Å; M308-Y310 HydrophobicContact SD-CE2 3.73Å; M308-Y310 VanDerWaalsContact SD-CZ 3.53Å; M308-Y310 PolarHBondContact SD-OH 3.37Å; Y310-I323 HydrophobicContact CG-CD1 4.5Å; Y310-T325 HydrophobicContact CD2-CG2 3.84Å; Y310-T325 HydrophobicContact CE2-CG2 4.28Å; Y310-T325 PolarHBondContact N-OG1 3.03Å; Y310-Q330 VanDerWaalsContact CE2-O 3.28Å; Y310-Q330 WeakPolarHBondContact CE2-O 3.2Å; Y310-Q330 PolarHBondContact OH-O 3.45Å; Y310-G332 VanDerWaalsContact CE2-N 3.32Å; Y310-V352 HydrophobicContact CD1-CG1 4.17Å; Y310-E353 CarbonylContact C-O 3.56Å; Y310-E353 VanDerWaalsContact CA-O 3.28Å; Y310-E353 WeakPolarHBondContact CA-O 3.35Å |
| 311 | S | 95.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 152.4 | 175 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | V352 E353 | S311-V352 WeakPolarHBondContact O-CA 3.5Å; S311-E353 PolarHBondContact N-O 3.25Å; S311-E353 PolarHBondContact O-N 3.42Å |
| 312 | L | 96.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 52.9 Ų | 52.9 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.8 | 170.6 | -57.2 | 179.7 | 0 | 0 | 0 | 108.5 | L318 F321 I323 L350 V352 | L312-L318 HydrophobicContact CB-CD2 3.53Å; L312-F321 HydrophobicContact CD1-CB 4.41Å; L312-I323 HydrophobicContact CD2-CB 4.09Å; L312-I323 HydrophobicContact CD2-CD1 4.4Å; L312-I323 HydrophobicContact CD2-CG2 4.04Å; L312-I323 HydrophobicContact CG-CB 4.02Å; L312-I323 HydrophobicContact CG-CG2 3.67Å; L312-L350 HydrophobicContact CD1-CD1 4.4Å; L312-L350 HydrophobicContact CD2-CB 4.35Å; L312-L350 HydrophobicContact CD2-CD1 4.19Å; L312-V352 HydrophobicContact CD2-CG2 3.8Å |
| 313 | V | 95.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 48.4 Ų | 48.4 | 38% | 0.376 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -25.8 | -172.8 | -68.6 | 0 | 0 | 0 | 0 | 113.7 | K351 E353 | V313-K351 HydrophobicContact CG2-CB 4.11Å; V313-K351 HydrophobicContact CG2-CD 4.06Å; V313-K351 HydrophobicContact CG2-CG 3.87Å; V313-K351 WeakPolarHBondContact CG2-O 3.21Å; V313-K351 PolarHBondContact N-O 3.11Å; V313-E353 HydrophobicContact CB-CB 4.46Å; V313-E353 HydrophobicContact CG1-CB 3.52Å; V313-E353 HydrophobicContact CG1-CG 4.36Å; V313-E353 HydrophobicContact CG2-CB 4.06Å |
| 314 | D | 94.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 165.1 | -179 | -164.2 | 10 | 0 | 0 | 0 | 109.7 | K351 | D314-K351 HydrophobicContact CB-CB 3.84Å; D314-K351 HydrophobicContact CB-CD 4.02Å; D314-K351 WeakPolarHBondContact O-CB 3.33Å; D314-K351 PolarHBondContact O-N 2.97Å |
| 315 | G | 93.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.8 | 171.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L318 T349 | G315-L318 WeakPolarHBondContact O-CG 3.36Å; G315-T349 CarbonylContact C-O 3.51Å; G315-T349 WeakPolarHBondContact CA-O 3.47Å |
| 316 | D | 93.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 48 Ų | 48 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.2 | -173.6 | 68.7 | -11.8 | 0 | 0 | 0 | 113.6 | K345 Y348 T349 | D316-K345 PolarHBondContact O-NZ 2.88Å; D316-K345 IonicContact OD1-NZ 2.83Å; D316-K345 VanDerWaalsContact OD2-CE 3.29Å; D316-K345 WeakPolarHBondContact OD2-CE 3.44Å; D316-K345 IonicContact OD2-NZ 2.65Å; D316-K345 PolarHBondContact OD2-NZ 2.85Å; D316-Y348 WeakPolarHBondContact O-CD1 3.42Å; D316-Y348 WeakPolarHBondContact OD1-CA 3.29Å; D316-T349 PolarHBondContact N-O 3.5Å; D316-T349 VanDerWaalsContact N-O 3.11Å; D316-T349 PolarHBondContact OD1-N 3.01Å; D316-T349 VanDerWaalsContact OD1-O 3.1Å |
| 317 | G | 91.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 18.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D319 V320 F321 | G317-D319 PolarHBondContact O-N 3.37Å; G317-V320 PolarHBondContact O-N 2.92Å; G317-V320 VanDerWaalsContact O-N 3.07Å; G317-F321 PolarHBondContact O-N 3.13Å |
| 318 | L | 93.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.6 | -179.4 | -69.1 | 174.9 | 0 | 0 | 0 | 113.9 | L312 G315 | L312-L318 HydrophobicContact CB-CD2 3.53Å; G315-L318 WeakPolarHBondContact O-CG 3.36Å |
| 319 | D | 92.6 | Very high | 93.4 | Very high | 80 Ų | 80 | 62.9 Ų | 62.9 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -12.6 | 177.1 | 72.7 | -51.9 | 0 | 0 | 0 | 113 | G317 K338 | G317-D319 PolarHBondContact O-N 3.37Å; D319-K338 VanDerWaalsContact O-CD 3.23Å; D319-K338 WeakPolarHBondContact O-CD 3.26Å; D319-K338 WeakPolarHBondContact O-CE 3.34Å; D319-K338 WeakPolarHBondContact O-CG 3.44Å; D319-K338 IonicContact OD2-NZ 3.84Å; D319-K338 PolarHBondContact OD2-NZ 3.03Å |
| 320 | V | 95.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -33.2 | -176.5 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | G317 R337 K338 L340 Y348 | G317-V320 PolarHBondContact O-N 2.92Å; G317-V320 VanDerWaalsContact O-N 3.07Å; V320-R337 WeakPolarHBondContact O-CA 3.41Å; V320-R337 VanDerWaalsContact O-CB 3.27Å; V320-R337 WeakPolarHBondContact O-CB 3.41Å; V320-R337 PolarHBondContact O-N 3.13Å; V320-K338 PolarHBondContact O-N 3.43Å; V320-L340 HydrophobicContact CG1-CD2 3.28Å; V320-Y348 HydrophobicContact CB-CE1 4.3Å; V320-Y348 HydrophobicContact CG1-CE1 4.46Å; V320-Y348 HydrophobicContact CG2-CE1 3.88Å |
| 321 | F | 97.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 159.6 | 179.9 | -60.1 | -79.4 | 0 | 0 | 0 | 111.6 | V282 V292 L312 G317 I334 T335 V336 L340 Y348 L350 I377 | V282-F321 HydrophobicContact CG1-CE1 4.47Å; V292-F321 HydrophobicContact CG2-CD1 3.9Å; V292-F321 HydrophobicContact CG2-CE1 3.77Å; L312-F321 HydrophobicContact CD1-CB 4.41Å; G317-F321 PolarHBondContact O-N 3.13Å; F321-I334 HydrophobicContact CB-CG2 4.26Å; F321-I334 HydrophobicContact CD1-CG2 4.35Å; F321-T335 CarbonylContact C-O 3.52Å; F321-T335 WeakPolarHBondContact CA-O 3.48Å; F321-V336 HydrophobicContact CE1-CG2 4.22Å; F321-L340 HydrophobicContact CE1-CD2 4.35Å; F321-L340 HydrophobicContact CZ-CD2 3.94Å; F321-Y348 HydrophobicContact CE2-CD1 4.14Å; F321-Y348 AromaticContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CE2 4.31Å; F321-Y348 AromaticContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CZ-CD2 4.08Å; F321-Y348 HydrophobicContact CZ-CG 4.42Å; F321-L350 HydrophobicContact CB-CD1 3.85Å; F321-L350 HydrophobicContact CD2-CD1 3.97Å; F321-L350 HydrophobicContact CD2-CD2 4.29Å; F321-L350 HydrophobicContact CD2-CG 4.48Å; F321-L350 HydrophobicContact CG-CD1 4.01Å; F321-I377 HydrophobicContact CD1-CD1 4.04Å; F321-I377 HydrophobicContact CD2-CD1 4.1Å; F321-I377 HydrophobicContact CE1-CD1 3.94Å; F321-I377 HydrophobicContact CE1-CG2 4.32Å; F321-I377 HydrophobicContact CE2-CD1 4Å; F321-I377 HydrophobicContact CG-CD1 4.12Å; F321-I377 HydrophobicContact CZ-CB 4.45Å; F321-I377 HydrophobicContact CZ-CD1 3.92Å; F321-I377 HydrophobicContact CZ-CG2 3.94Å |
| 322 | D | 96.3 | Very high | 93.1 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 162.2 | 171 | -158.6 | 3.1 | 0 | 0 | 0 | 109.9 | I334 T335 R337 | D322-I334 CarbonylContact O-C 3.54Å; D322-I334 WeakPolarHBondContact O-CA 2.92Å; D322-T335 PolarHBondContact N-O 3.31Å; D322-T335 PolarHBondContact O-N 2.96Å; D322-R337 HydrophobicContact CB-CB 4.41Å |
| 323 | I | 96.8 | Very high | 93.1 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 127.5 | 174.6 | -165 | 168.3 | 0 | 0 | 0 | 110.7 | V295 Y310 L312 I333 I334 V352 | V295-I323 HydrophobicContact CG2-CD1 4.1Å; Y310-I323 HydrophobicContact CG-CD1 4.5Å; L312-I323 HydrophobicContact CD2-CB 4.09Å; L312-I323 HydrophobicContact CD2-CD1 4.4Å; L312-I323 HydrophobicContact CD2-CG2 4.04Å; L312-I323 HydrophobicContact CG-CB 4.02Å; L312-I323 HydrophobicContact CG-CG2 3.67Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; I323-I334 HydrophobicContact CD1-CG1 3.94Å; I323-I334 HydrophobicContact CG1-CG1 4.11Å; I323-V352 HydrophobicContact CD1-CG1 3.54Å; I323-V352 HydrophobicContact CD1-CG2 4.27Å |
| 324 | N | 94.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 53.7 Ų | 53.7 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146 | 172.6 | -170.7 | 26.3 | 0 | 0 | 0 | 110.6 | I333 | N324-I333 PolarHBondContact N-O 3.08Å; N324-I333 PolarHBondContact O-N 2.81Å |
| 325 | T | 94.8 | Very high | 93.3 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 122.9 | 174 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | M308 Y310 P327 V331 | M308-T325 WeakPolarHBondContact O-CG2 3.41Å; Y310-T325 HydrophobicContact CD2-CG2 3.84Å; Y310-T325 HydrophobicContact CE2-CG2 4.28Å; Y310-T325 PolarHBondContact N-OG1 3.03Å; T325-P327 WeakPolarHBondContact O-CD 3.36Å; T325-V331 WeakPolarHBondContact CA-O 3.47Å |
| 326 | D | 92 | Very high | 93.4 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 117.1 | 170.7 | -170.4 | -38.2 | 0 | 0 | 0 | 109.4 | N328 Y329 Q330 V331 I333 | D326-N328 VanDerWaalsContact C-N 3.28Å; D326-N328 PolarHBondContact O-N 2.87Å; D326-N328 PolarHBondContact OD1-N 2.74Å; D326-Y329 PolarHBondContact OD1-N 2.74Å; D326-Q330 VanDerWaalsContact O-CA 3.23Å; D326-Q330 WeakPolarHBondContact O-CA 3.38Å; D326-Q330 PolarHBondContact O-N 2.91Å; D326-V331 PolarHBondContact N-O 2.79Å; D326-I333 HydrophobicContact CB-CD1 4.15Å |
| 327 | P | 86.4 | Confident | 93.5 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -22.5 | -175.9 | 28.9 | -35.4 | 0 | 0 | 0 | 113.4 | T325 | T325-P327 WeakPolarHBondContact O-CD 3.36Š|
| 328 | N | 85.9 | Confident | 93.7 | Very high | 134 Ų | 134 | 57 Ų | 57 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -39.3 | -176.6 | -61.2 | -50.4 | 0 | 0 | 0 | 111.9 | D326 | D326-N328 VanDerWaalsContact C-N 3.28Å; D326-N328 PolarHBondContact O-N 2.87Å; D326-N328 PolarHBondContact OD1-N 2.74Å |
| 329 | Y | 86.5 | Confident | 93.7 | Very high | 173 Ų | 173 | 58.9 Ų | 58.9 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -5.1 | -174.4 | -58.8 | -77.5 | 0 | 0 | 0 | 113.4 | D326 V331 | D326-Y329 PolarHBondContact OD1-N 2.74Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 WeakPolarHBondContact O-CG2 3.48Å; Y329-V331 PolarHBondContact O-N 3.14Å |
| 330 | Q | 89.4 | Confident | 93.8 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 44.6 | -177.6 | -64.5 | -179.1 | -13.7 | 0 | 0 | 112.8 | A306 M308 Y310 D326 | A306-Q330 PolarHBondContact O-OE1 3.36Å; M308-Q330 HydrophobicContact CE-CB 4.23Å; M308-Q330 HydrophobicContact CG-CB 3.96Å; M308-Q330 HydrophobicContact SD-CB 4.19Å; Y310-Q330 VanDerWaalsContact CE2-O 3.28Å; Y310-Q330 WeakPolarHBondContact CE2-O 3.2Å; Y310-Q330 PolarHBondContact OH-O 3.45Å; D326-Q330 VanDerWaalsContact O-CA 3.23Å; D326-Q330 WeakPolarHBondContact O-CA 3.38Å; D326-Q330 PolarHBondContact O-N 2.91Å |
| 331 | V | 93.2 | Very high | 93.7 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.8 | -177.3 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | R294 V296 T325 D326 Y329 I333 | R294-V331 HydrophobicContact CB-CG1 3.67Å; R294-V331 HydrophobicContact CG-CG1 4Å; V296-V331 HydrophobicContact CG2-CB 4.18Å; V296-V331 HydrophobicContact CG2-CG1 3.74Å; V296-V331 HydrophobicContact CG2-CG2 3.74Å; T325-V331 WeakPolarHBondContact CA-O 3.47Å; D326-V331 PolarHBondContact N-O 2.79Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 WeakPolarHBondContact O-CG2 3.48Å; Y329-V331 PolarHBondContact O-N 3.14Å; V331-I333 HydrophobicContact CG1-CG1 4.5Å; V331-I333 PolarHBondContact O-N 3.08Å |
| 332 | G | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 110.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R294 V295 Y310 | R294-G332 CarbonylContact C-O 3.6Å; R294-G332 WeakPolarHBondContact CA-O 3.46Å; V295-G332 PolarHBondContact N-O 3.21Å; V295-G332 PolarHBondContact O-N 3.28Å; Y310-G332 VanDerWaalsContact CE2-N 3.32Å |
| 333 | I | 96.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 116.6 | 177.6 | -54.1 | 176.8 | 0 | 0 | 0 | 108.6 | T291 R294 I323 N324 D326 V331 T335 | T291-I333 HydrophobicContact CG2-CG2 3.86Å; R294-I333 HydrophobicContact CG-CG1 4.32Å; I323-I333 WeakPolarHBondContact CA-O 3.15Å; N324-I333 PolarHBondContact N-O 3.08Å; N324-I333 PolarHBondContact O-N 2.81Å; D326-I333 HydrophobicContact CB-CD1 4.15Å; V331-I333 HydrophobicContact CG1-CG1 4.5Å; V331-I333 PolarHBondContact O-N 3.08Å; I333-T335 HydrophobicContact CG2-CG2 4.12Å |
| 334 | I | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 176.9 | -58.8 | 172.2 | 0 | 0 | 0 | 108.6 | M280 V292 G293 V295 F321 D322 I323 L350 V352 V375 I377 | M280-I334 HydrophobicContact CE-CD1 4.4Å; M280-I334 HydrophobicContact SD-CD1 4.21Å; V292-I334 HydrophobicContact CB-CG2 4.27Å; V292-I334 HydrophobicContact CG2-CG2 4.36Å; V292-I334 PolarHBondContact N-O 3.49Å; G293-I334 PolarHBondContact O-N 3.3Å; V295-I334 HydrophobicContact CG1-CD1 4.29Å; F321-I334 HydrophobicContact CB-CG2 4.26Å; F321-I334 HydrophobicContact CD1-CG2 4.35Å; D322-I334 CarbonylContact O-C 3.54Å; D322-I334 WeakPolarHBondContact O-CA 2.92Å; I323-I334 HydrophobicContact CD1-CG1 3.94Å; I323-I334 HydrophobicContact CG1-CG1 4.11Å; I334-L350 HydrophobicContact CG2-CD1 4.26Å; I334-V352 HydrophobicContact CD1-CG2 4.23Å; I334-V375 HydrophobicContact CD1-CB 4.39Å; I334-V375 HydrophobicContact CD1-CG1 4.03Å; I334-V375 HydrophobicContact CD1-CG2 4.09Å; I334-I377 HydrophobicContact CG2-CD1 4.23Å |
| 335 | T | 96.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 59.8 Ų | 59.8 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.2 | -177.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | S290 T291 F321 D322 I333 | S290-T335 CarbonylContact O-C 3.57Å; S290-T335 WeakPolarHBondContact O-CA 3.29Å; S290-T335 WeakPolarHBondContact O-CB 3.46Å; T291-T335 HydrophobicContact CG2-CG2 4.24Å; F321-T335 CarbonylContact C-O 3.52Å; F321-T335 WeakPolarHBondContact CA-O 3.48Å; D322-T335 PolarHBondContact N-O 3.31Å; D322-T335 PolarHBondContact O-N 2.96Å; I333-T335 HydrophobicContact CG2-CG2 4.12Å |
| 336 | V | 97.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.2 | 174.1 | -179.5 | 0 | 0 | 0 | 0 | 110 | V282 S289 S290 V292 F321 K338 L340 | V282-V336 HydrophobicContact CG2-CG2 4.06Å; S289-V336 WeakPolarHBondContact CA-O 3.34Å; S289-V336 PolarHBondContact N-O 2.92Å; S290-V336 PolarHBondContact O-N 3.36Å; S290-V336 VanDerWaalsContact OG-CG2 3.27Å; S290-V336 WeakPolarHBondContact OG-CG2 3.34Å; V292-V336 HydrophobicContact CG2-CG2 3.76Å; F321-V336 HydrophobicContact CE1-CG2 4.22Å; V336-K338 WeakPolarHBondContact CG1-O 3.48Å; V336-L340 HydrophobicContact CG1-CD1 4.48Å; V336-L340 HydrophobicContact CG1-CG 4.21Å; V336-L340 HydrophobicContact CG2-CD1 4.2Å |
| 337 | R | 95.3 | Very high | 92.9 | Very high | 145 Ų | 145 | 64.8 Ų | 64.8 | 55% | 0.547 | 33% | 0.333 | S | S | . | . | trans | -103 | -30.2 | 178 | -175.2 | -179.3 | 176.6 | 173.9 | 2.5 | 112.7 | V288 V320 D322 | V288-R337 WeakPolarHBondContact CG1-O 3.47Å; V320-R337 WeakPolarHBondContact O-CA 3.41Å; V320-R337 VanDerWaalsContact O-CB 3.27Å; V320-R337 WeakPolarHBondContact O-CB 3.41Å; V320-R337 PolarHBondContact O-N 3.13Å; D322-R337 HydrophobicContact CB-CB 4.41Å | ||
| 338 | K | 94.9 | Very high | 93.4 | Very high | 91 Ų | 91 | 60.8 Ų | 60.8 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -129.3 | 152.1 | 177.2 | -68.4 | -177.3 | -175.7 | 171.6 | 0 | 110.5 | D319 V320 V336 | D319-K338 VanDerWaalsContact O-CD 3.23Å; D319-K338 WeakPolarHBondContact O-CD 3.26Å; D319-K338 WeakPolarHBondContact O-CE 3.34Å; D319-K338 WeakPolarHBondContact O-CG 3.44Å; D319-K338 IonicContact OD2-NZ 3.84Å; D319-K338 PolarHBondContact OD2-NZ 3.03Å; V320-K338 PolarHBondContact O-N 3.43Å; V336-K338 WeakPolarHBondContact CG1-O 3.48Å |
| 339 | P | 94.4 | Very high | 93.9 | Very high | 109 Ų | 109 | 57.4 Ų | 57.4 | 71% | 0.708 | 29% | 0.288 | S | S | * | . | trans | -52.4 | 140.3 | 171.9 | -23.1 | 33.3 | 0 | 0 | 0 | 111.2 | V288 | V288-P339 HydrophobicContact CG2-CG 4.24Š| ||
| 340 | L | 94.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | trans | -95.7 | 155.2 | 178.8 | -59.3 | 176 | 0 | 0 | 0 | 109.2 | V282 E284 V320 F321 V336 Y348 V379 | V282-L340 HydrophobicContact CB-CD1 4.38Å; V282-L340 HydrophobicContact CG1-CD1 3.52Å; V282-L340 HydrophobicContact CG2-CD1 3.92Å; E284-L340 HydrophobicContact CB-CB 4.29Å; V320-L340 HydrophobicContact CG1-CD2 3.28Å; F321-L340 HydrophobicContact CE1-CD2 4.35Å; F321-L340 HydrophobicContact CZ-CD2 3.94Å; V336-L340 HydrophobicContact CG1-CD1 4.48Å; V336-L340 HydrophobicContact CG1-CG 4.21Å; V336-L340 HydrophobicContact CG2-CD1 4.2Å; L340-Y348 HydrophobicContact CD2-CE2 4.39Å; L340-V379 HydrophobicContact CB-CG1 4.47Å | ||
| 341 | S | 92.8 | Very high | 94.8 | Very high | 33 Ų | 33 | 50.2 Ų | 50.2 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | trans | -144.5 | 123 | 168 | 155.4 | 0 | 0 | 0 | 0 | 107.9 | E343 S344 K345 | S341-E343 VanDerWaalsContact C-N 3.33Å; S341-E343 PolarHBondContact OG-OE2 3.07Å; S341-S344 PolarHBondContact O-N 3.29Å; S341-S344 WeakPolarHBondContact OG-CB 3.24Å; S341-S344 PolarHBondContact OG-N 2.79Å; S341-S344 PolarHBondContact OG-OG 2.86Å; S341-K345 PolarHBondContact O-N 3.31Å | ||
| 342 | F | 92.8 | Very high | 95 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -36.9 | 179.7 | 176.1 | -101.4 | 0 | 0 | 0 | 111.3 | E284 S344 K345 K346 V379 D381 | E284-F342 HydrophobicContact CB-CB 4.45Å; E284-F342 WeakPolarHBondContact OE2-CB 3.23Å; E284-F342 PolarHBondContact OE2-N 2.87Å; F342-S344 VanDerWaalsContact C-N 3.27Å; F342-S344 PolarHBondContact O-N 2.91Å; F342-K345 CarbonylContact O-C 3.57Å; F342-K345 PolarHBondContact O-N 3.47Å; F342-K346 HydrophobicContact CD1-CG 4.48Å; F342-K346 HydrophobicContact CD2-CB 4.13Å; F342-K346 HydrophobicContact CD2-CD 4.38Å; F342-K346 HydrophobicContact CD2-CG 3.83Å; F342-K346 HydrophobicContact CE1-CD 4.01Å; F342-K346 HydrophobicContact CE1-CG 4.34Å; F342-K346 HydrophobicContact CE2-CB 3.93Å; F342-K346 HydrophobicContact CE2-CD 3.76Å; F342-K346 HydrophobicContact CE2-CG 3.65Å; F342-K346 HydrophobicContact CG-CG 4.25Å; F342-K346 HydrophobicContact CZ-CD 3.56Å; F342-K346 HydrophobicContact CZ-CG 3.94Å; F342-K346 VanDerWaalsContact CZ-NZ 3.33Å; F342-K346 WeakPolarHBondContact O-CG 3.36Å; F342-V379 HydrophobicContact CB-CG1 4.14Å; F342-V379 HydrophobicContact CD2-CB 4.36Å; F342-V379 HydrophobicContact CD2-CG1 4.39Å; F342-V379 VanDerWaalsContact CD2-O 3.26Å; F342-V379 WeakPolarHBondContact CD2-O 3.28Å; F342-V379 WeakPolarHBondContact CE2-O 3.49Å; F342-D381 HydrophobicContact CD1-CB 3.61Å; F342-D381 VanDerWaalsContact CD1-CG 3.49Å; F342-D381 WeakPolarHBondContact CD1-OD2 3.41Å; F342-D381 HydrophobicContact CD2-CB 3.99Å; F342-D381 HydrophobicContact CE1-CB 3.61Å; F342-D381 WeakPolarHBondContact CE1-OD2 3.23Å; F342-D381 HydrophobicContact CE2-CB 4Å; F342-D381 HydrophobicContact CG-CB 3.79Å; F342-D381 HydrophobicContact CZ-CB 3.8Å |
| 343 | E | 89.8 | Confident | 95 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -36.9 | -178.9 | -57.2 | 56.8 | -100.2 | 0 | 0 | 109.5 | S341 P415 | S341-E343 VanDerWaalsContact C-N 3.33Å; S341-E343 PolarHBondContact OG-OE2 3.07Å; E343-P415 HydrophobicContact CG-CB 3.99Å; E343-P415 WeakPolarHBondContact CG-O 3.44Å |
| 344 | S | 90.7 | Very high | 94.9 | Very high | 101 Ų | 101 | 50.1 Ų | 50.1 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -52.2 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.3 | S341 F342 | S341-S344 PolarHBondContact O-N 3.29Å; S341-S344 WeakPolarHBondContact OG-CB 3.24Å; S341-S344 PolarHBondContact OG-N 2.79Å; S341-S344 PolarHBondContact OG-OG 2.86Å; F342-S344 VanDerWaalsContact C-N 3.27Å; F342-S344 PolarHBondContact O-N 2.91Å |
| 345 | K | 93.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | trans | -157.6 | 115.8 | -177.3 | -172.1 | 167.6 | 173.2 | -176.7 | 0 | 112.6 | D316 S341 F342 S347 Y348 | D316-K345 PolarHBondContact O-NZ 2.88Å; D316-K345 IonicContact OD1-NZ 2.83Å; D316-K345 VanDerWaalsContact OD2-CE 3.29Å; D316-K345 WeakPolarHBondContact OD2-CE 3.44Å; D316-K345 IonicContact OD2-NZ 2.65Å; D316-K345 PolarHBondContact OD2-NZ 2.85Å; S341-K345 PolarHBondContact O-N 3.31Å; F342-K345 CarbonylContact O-C 3.57Å; F342-K345 PolarHBondContact O-N 3.47Å; K345-S347 WeakPolarHBondContact CE-O 3.47Å; K345-Y348 HydrophobicContact CB-CE2 4.43Å; K345-Y348 HydrophobicContact CD-CD1 4.12Å; K345-Y348 HydrophobicContact CD-CE1 3.61Å; K345-Y348 HydrophobicContact CD-CE2 4.44Å; K345-Y348 HydrophobicContact CG-CE1 4.32Å; K345-Y348 HydrophobicContact CG-CE2 4.28Å | ||
| 346 | K | 93.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 50.2 Ų | 50.2 | 50% | 0.504 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -78.8 | -18.8 | -172.8 | -57.7 | -172.5 | 178.1 | -145.3 | 0 | 115.6 | F342 V379 | F342-K346 HydrophobicContact CD1-CG 4.48Å; F342-K346 HydrophobicContact CD2-CB 4.13Å; F342-K346 HydrophobicContact CD2-CD 4.38Å; F342-K346 HydrophobicContact CD2-CG 3.83Å; F342-K346 HydrophobicContact CE1-CD 4.01Å; F342-K346 HydrophobicContact CE1-CG 4.34Å; F342-K346 HydrophobicContact CE2-CB 3.93Å; F342-K346 HydrophobicContact CE2-CD 3.76Å; F342-K346 HydrophobicContact CE2-CG 3.65Å; F342-K346 HydrophobicContact CG-CG 4.25Å; F342-K346 HydrophobicContact CZ-CD 3.56Å; F342-K346 HydrophobicContact CZ-CG 3.94Å; F342-K346 VanDerWaalsContact CZ-NZ 3.33Å; F342-K346 WeakPolarHBondContact O-CG 3.36Å; K346-V379 PolarHBondContact O-N 2.68Å |
| 347 | S | 95.8 | Very high | 93.6 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 152.8 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | K345 I377 | K345-S347 WeakPolarHBondContact CE-O 3.47Å; S347-I377 CarbonylContact C-O 3.57Å; S347-I377 VanDerWaalsContact CA-O 3.24Å; S347-I377 WeakPolarHBondContact CA-O 3.09Å; S347-I377 WeakPolarHBondContact CB-O 3.2Å |
| 348 | Y | 96.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.7 | 179 | -64.7 | -94.2 | 0 | 0 | 0 | 110.1 | D316 V320 F321 L340 K345 H376 I377 V379 | D316-Y348 WeakPolarHBondContact O-CD1 3.42Å; D316-Y348 WeakPolarHBondContact OD1-CA 3.29Å; V320-Y348 HydrophobicContact CB-CE1 4.3Å; V320-Y348 HydrophobicContact CG1-CE1 4.46Å; V320-Y348 HydrophobicContact CG2-CE1 3.88Å; F321-Y348 HydrophobicContact CE2-CD1 4.14Å; F321-Y348 AromaticContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CD2 3.72Å; F321-Y348 HydrophobicContact CE2-CE2 4.31Å; F321-Y348 AromaticContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CE2-CG 3.62Å; F321-Y348 HydrophobicContact CZ-CD2 4.08Å; F321-Y348 HydrophobicContact CZ-CG 4.42Å; L340-Y348 HydrophobicContact CD2-CE2 4.39Å; K345-Y348 HydrophobicContact CB-CE2 4.43Å; K345-Y348 HydrophobicContact CD-CD1 4.12Å; K345-Y348 HydrophobicContact CD-CE1 3.61Å; K345-Y348 HydrophobicContact CD-CE2 4.44Å; K345-Y348 HydrophobicContact CG-CE1 4.32Å; K345-Y348 HydrophobicContact CG-CE2 4.28Å; Y348-H376 WeakPolarHBondContact O-CA 3.47Å; Y348-H376 PolarHBondContact O-ND1 3.1Å; Y348-I377 PolarHBondContact N-O 2.91Å; Y348-I377 PolarHBondContact O-N 3.41Å; Y348-V379 HydrophobicContact CD2-CG2 4.01Å; Y348-V379 HydrophobicContact CE2-CG2 3.85Å |
| 349 | T | 96.8 | Very high | 91.9 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 39% | 0.387 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 108.7 | G315 D316 V375 H376 | G315-T349 CarbonylContact C-O 3.51Å; G315-T349 WeakPolarHBondContact CA-O 3.47Å; D316-T349 PolarHBondContact N-O 3.5Å; D316-T349 VanDerWaalsContact N-O 3.11Å; D316-T349 PolarHBondContact OD1-N 3.01Å; D316-T349 VanDerWaalsContact OD1-O 3.1Å; T349-V375 WeakPolarHBondContact CA-O 3.25Å; T349-H376 PolarHBondContact OG1-ND1 3.03Å |
| 350 | L | 96.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142.7 | 177.8 | -57.9 | 178.2 | 0 | 0 | 0 | 109.9 | L312 F321 I334 T374 V375 I377 | L312-L350 HydrophobicContact CD1-CD1 4.4Å; L312-L350 HydrophobicContact CD2-CB 4.35Å; L312-L350 HydrophobicContact CD2-CD1 4.19Å; F321-L350 HydrophobicContact CB-CD1 3.85Å; F321-L350 HydrophobicContact CD2-CD1 3.97Å; F321-L350 HydrophobicContact CD2-CD2 4.29Å; F321-L350 HydrophobicContact CD2-CG 4.48Å; F321-L350 HydrophobicContact CG-CD1 4.01Å; I334-L350 HydrophobicContact CG2-CD1 4.26Å; L350-T374 CarbonylContact O-C 3.59Å; L350-T374 WeakPolarHBondContact O-CA 3.4Å; L350-V375 HydrophobicContact CB-CB 4.43Å; L350-V375 PolarHBondContact N-O 3.19Å; L350-V375 PolarHBondContact O-N 3.17Å; L350-I377 HydrophobicContact CD1-CD1 3.54Å; L350-I377 HydrophobicContact CG-CD1 4.26Å |
| 351 | K | 96.7 | Very high | 90.1 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113 | 167.4 | -167.9 | 177.7 | 180 | -177.1 | 0 | 108.5 | V313 D314 T372 T373 | V313-K351 HydrophobicContact CG2-CB 4.11Å; V313-K351 HydrophobicContact CG2-CD 4.06Å; V313-K351 HydrophobicContact CG2-CG 3.87Å; V313-K351 WeakPolarHBondContact CG2-O 3.21Å; V313-K351 PolarHBondContact N-O 3.11Å; D314-K351 HydrophobicContact CB-CB 3.84Å; D314-K351 HydrophobicContact CB-CD 4.02Å; D314-K351 WeakPolarHBondContact O-CB 3.33Å; D314-K351 PolarHBondContact O-N 2.97Å; K351-T372 WeakPolarHBondContact CE-OG1 3.49Å; K351-T373 WeakPolarHBondContact CA-O 3.32Å |
| 352 | V | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.2 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 109 | F273 V295 Y310 S311 L312 I323 I334 T372 T373 V375 | F273-V352 HydrophobicContact CZ-CG1 4.34Å; V295-V352 HydrophobicContact CG2-CG1 3.99Å; Y310-V352 HydrophobicContact CD1-CG1 4.17Å; S311-V352 WeakPolarHBondContact O-CA 3.5Å; L312-V352 HydrophobicContact CD2-CG2 3.8Å; I323-V352 HydrophobicContact CD1-CG1 3.54Å; I323-V352 HydrophobicContact CD1-CG2 4.27Å; I334-V352 HydrophobicContact CD1-CG2 4.23Å; V352-T372 CarbonylContact O-C 3.58Å; V352-T372 WeakPolarHBondContact O-CA 3.48Å; V352-T373 HydrophobicContact CB-CG2 4.15Å; V352-T373 PolarHBondContact N-O 3.35Å; V352-T373 PolarHBondContact O-N 3.17Å; V352-V375 HydrophobicContact CG2-CG2 3.59Å |
| 353 | E | 95.3 | Very high | 88.5 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132 | 170.4 | -175.1 | 174.5 | 86.2 | 0 | 0 | 109.3 | Y310 S311 V313 R370 D371 T372 | Y310-E353 CarbonylContact C-O 3.56Å; Y310-E353 VanDerWaalsContact CA-O 3.28Å; Y310-E353 WeakPolarHBondContact CA-O 3.35Å; S311-E353 PolarHBondContact N-O 3.25Å; S311-E353 PolarHBondContact O-N 3.42Å; V313-E353 HydrophobicContact CB-CB 4.46Å; V313-E353 HydrophobicContact CG1-CB 3.52Å; V313-E353 HydrophobicContact CG1-CG 4.36Å; V313-E353 HydrophobicContact CG2-CB 4.06Å; E353-R370 HydrophobicContact CG-CB 4.24Å; E353-R370 WeakPolarHBondContact OE2-CD 3.47Å; E353-D371 WeakPolarHBondContact CA-O 3.48Å; E353-T372 HydrophobicContact CB-CG2 3.97Å; E353-T372 HydrophobicContact CG-CG2 4Å |
| 354 | G | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | R370 D371 | G354-R370 CarbonylContact O-C 3.53Å; G354-R370 WeakPolarHBondContact O-CA 3.23Å; G354-D371 PolarHBondContact N-O 3.04Å; G354-D371 PolarHBondContact O-N 3.27Å |
| 355 | A | 91.9 | Very high | 87.3 | Confident | 21 Ų | 21 | 64 Ų | 64 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M308 K309 F369 R370 | M308-A355 CarbonylContact C-O 3.54Å; M308-A355 WeakPolarHBondContact CA-O 3.39Å; K309-A355 PolarHBondContact N-O 3.05Å; K309-A355 PolarHBondContact O-N 3.03Å; A355-F369 WeakPolarHBondContact CA-O 3.44Å; A355-R370 HydrophobicContact CB-CB 3.7Å |
| 356 | N | 90.3 | Very high | 86.5 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 142.3 | 174.4 | -53.7 | 96.2 | 0 | 0 | 0 | 110.7 | P271 D299 N305 E307 L359 F369 | P271-N356 WeakPolarHBondContact CD-OD1 3.45Å; D299-N356 PolarHBondContact OD2-ND2 3.27Å; N305-N356 PolarHBondContact O-ND2 2.66Å; E307-N356 CarbonylContact O-C 3.58Å; E307-N356 WeakPolarHBondContact O-CA 3.37Å; N356-L359 HydrophobicContact CB-CD2 4.46Å; N356-F369 PolarHBondContact N-O 3.42Å; N356-F369 VanDerWaalsContact N-O 3.12Å; N356-F369 PolarHBondContact OD1-O 3.44Å |
| 357 | S | 82.3 | Confident | 85.4 | Confident | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -71.6 | -34.1 | 174.3 | 47.7 | 0 | 0 | 0 | 0 | 111.9 | E307 | E307-S357 WeakPolarHBondContact CB-OG 3.15Å; E307-S357 PolarHBondContact O-N 3.05Å; E307-S357 PolarHBondContact O-OG 3.42Å; E307-S357 PolarHBondContact OE2-OG 2.81Å |
| 358 | H | 79.8 | Confident | 84.5 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | trans | -112.2 | 102 | -171.9 | -68.3 | -78.1 | 0 | 0 | 0 | 112.2 | N267 I304 E307 | N267-H358 PolarHBondContact ND2-O 2.82Å; I304-H358 WeakPolarHBondContact CG1-CD2 3.5Å; I304-H358 WeakPolarHBondContact CG1-NE2 3.29Å; E307-H358 IonicContact OE2-CD2 3.73Å; E307-H358 PolarHBondContact OE2-CD2 3.39Å; E307-H358 IonicContact OE2-NE2 3.73Å; E307-H358 PolarHBondContact OE2-NE2 2.89Å | ||
| 359 | L | 75.6 | Confident | 84 | Confident | 97 Ų | 97 | 60.8 Ų | 60.8 | 51% | 0.508 | 31% | 0.313 | S | S | . | . | trans | -101.2 | 124.1 | 179.6 | -61.6 | 174.9 | 0 | 0 | 0 | 111.5 | N356 F369 | N356-L359 HydrophobicContact CB-CD2 4.46Å; L359-F369 HydrophobicContact CD2-CB 3.16Å; L359-F369 HydrophobicContact CD2-CD1 4.42Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CG 3.53Å | ||
| 360 | E | 73.5 | Confident | 83.6 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.294 | 32% | 0.321 | S | S | . | . | trans | -90 | 124 | 168.3 | -82.4 | -155.5 | -160.1 | 0 | 0 | 111.5 | R362 F363 | E360-R362 PolarHBondContact O-N 2.96Å; E360-R362 IonicContact OE1-NH2 2.78Å; E360-R362 IonicContact OE2-CZ 3.37Å; E360-R362 IonicContact OE2-NE 3.86Å; E360-R362 PolarHBondContact OE2-NE 3.45Å; E360-R362 IonicContact OE2-NH2 3.9Å; E360-R362 PolarHBondContact OE2-NH2 2.83Å; E360-F363 HydrophobicContact CB-CD2 3.75Å; E360-F363 HydrophobicContact CB-CE2 4.31Å; E360-F363 PolarHBondContact O-N 3.25Å; E360-F363 VanDerWaalsContact O-N 3.11Å; E360-F363 WeakPolarHBondContact OE2-CE2 3.36Å | ||
| 361 | M | 76.2 | Confident | 83.5 | Confident | 160 Ų | 160 | 66.3 Ų | 66.3 | 79% | 0.788 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -24.8 | -178.4 | -71.6 | -74.3 | -69.9 | 0 | 0 | 114 | F363 L364 | M361-F363 VanDerWaalsContact C-N 3.32Å; M361-L364 HydrophobicContact CB-CD1 4.45Å; M361-L364 HydrophobicContact CE-CD1 4.24Å; M361-L364 HydrophobicContact SD-CD1 3.55Å; M361-L364 VanDerWaalsContact SD-CD1 3.55Å |
| 362 | R | 77.3 | Confident | 83.4 | Confident | 183 Ų | 183 | 65.2 Ų | 65.2 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -25.9 | -178.1 | -66.5 | -175.4 | -68.5 | -151.3 | -0.3 | 113.1 | E360 N365 | E360-R362 PolarHBondContact O-N 2.96Å; E360-R362 IonicContact OE1-NH2 2.78Å; E360-R362 IonicContact OE2-CZ 3.37Å; E360-R362 IonicContact OE2-NE 3.86Å; E360-R362 PolarHBondContact OE2-NE 3.45Å; E360-R362 IonicContact OE2-NH2 3.9Å; E360-R362 PolarHBondContact OE2-NH2 2.83Å; R362-N365 PolarHBondContact O-OD1 2.8Å |
| 363 | F | 76.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 3.6 | -172.8 | -56.7 | -70.1 | 0 | 0 | 0 | 113.3 | M176 V266 N267 E360 M361 N365 L366 F369 | M176-F363 HydrophobicContact CB-CE1 4.43Å; M176-F363 HydrophobicContact SD-CE1 4.17Å; V266-F363 HydrophobicContact CB-CE2 4.49Å; V266-F363 HydrophobicContact CG1-CD2 3.57Å; V266-F363 HydrophobicContact CG1-CE1 4.06Å; V266-F363 HydrophobicContact CG1-CE2 3.02Å; V266-F363 HydrophobicContact CG1-CG 4.32Å; V266-F363 HydrophobicContact CG1-CZ 3.32Å; N267-F363 WeakPolarHBondContact O-CB 3.47Å; E360-F363 HydrophobicContact CB-CD2 3.75Å; E360-F363 HydrophobicContact CB-CE2 4.31Å; E360-F363 PolarHBondContact O-N 3.25Å; E360-F363 VanDerWaalsContact O-N 3.11Å; E360-F363 WeakPolarHBondContact OE2-CE2 3.36Å; M361-F363 VanDerWaalsContact C-N 3.32Å; F363-N365 PolarHBondContact O-N 2.64Å; F363-N365 PolarHBondContact O-OD1 3.13Å; F363-L366 HydrophobicContact CB-CD1 4.12Å; F363-L366 HydrophobicContact CD1-CD1 3.74Å; F363-L366 HydrophobicContact CG-CD1 4.36Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 2.62Å; F363-F369 HydrophobicContact CB-CE2 4.27Å; F363-F369 HydrophobicContact CB-CZ 3.8Å; F363-F369 VanDerWaalsContact O-CE2 3.23Å; F363-F369 WeakPolarHBondContact O-CE2 3.25Å; F363-F369 WeakPolarHBondContact O-CZ 3.27Å |
| 364 | L | 76.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 44% | 0.44 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.9 | 176.8 | -71.1 | 175.4 | 0 | 0 | 0 | 114.5 | M361 F369 | M361-L364 HydrophobicContact CB-CD1 4.45Å; M361-L364 HydrophobicContact CE-CD1 4.24Å; M361-L364 HydrophobicContact SD-CD1 3.55Å; M361-L364 VanDerWaalsContact SD-CD1 3.55Å; L364-F369 HydrophobicContact CD2-CD2 4.44Å |
| 365 | N | 78.7 | Confident | 83.6 | Confident | 132 Ų | 132 | 65.5 Ų | 65.5 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -18.5 | 175.1 | 62.7 | -23.4 | 0 | 0 | 0 | 113.7 | R362 F363 G367 | R362-N365 PolarHBondContact O-OD1 2.8Å; F363-N365 PolarHBondContact O-N 2.64Å; F363-N365 PolarHBondContact O-OD1 3.13Å; N365-G367 VanDerWaalsContact C-N 3.33Å |
| 366 | L | 75.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18.6 | -179.4 | -64 | -179.1 | 0 | 0 | 0 | 112.7 | M176 D268 F363 | M176-L366 HydrophobicContact CE-CD1 4.5Å; M176-L366 HydrophobicContact SD-CD1 4.22Å; D268-L366 HydrophobicContact CB-CD1 3.73Å; F363-L366 HydrophobicContact CB-CD1 4.12Å; F363-L366 HydrophobicContact CD1-CD1 3.74Å; F363-L366 HydrophobicContact CG-CD1 4.36Å; F363-L366 WeakPolarHBondContact O-CB 3.5Å; F363-L366 PolarHBondContact O-N 2.62Å |
| 367 | G | 70.8 | Confident | 84.2 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 18% | 0.175 | 34% | 0.339 | C | S | . | . | trans | 161.7 | 176.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N365 F369 | N365-G367 VanDerWaalsContact C-N 3.33Å; G367-F369 PolarHBondContact O-N 3.45Å | ||
| 368 | P | 77.4 | Confident | 84.8 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 48% | 0.481 | 34% | 0.335 | S | S | . | . | trans | -67 | 114.9 | 159.7 | 29.8 | -29.5 | 0 | 0 | 0 | 107.4 | P270 R370 | P270-P368 VanDerWaalsContact CB-O 3.24Å; P270-P368 WeakPolarHBondContact CB-O 3.37Å; P368-R370 HydrophobicContact CB-CG 3.85Å; P368-R370 PolarHBondContact O-N 3.12Å | ||
| 369 | F | 85.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -71.2 | 44.3 | 168.3 | -69.3 | -81.1 | 0 | 0 | 0 | 111.7 | N267 P270 A355 N356 L359 F363 L364 G367 | N267-F369 VanDerWaalsContact O-CE1 3.26Å; N267-F369 WeakPolarHBondContact O-CE1 3.48Å; N267-F369 VanDerWaalsContact O-CZ 3.25Å; N267-F369 WeakPolarHBondContact O-CZ 3.47Å; N267-F369 WeakPolarHBondContact OD1-CD1 3.09Å; N267-F369 WeakPolarHBondContact OD1-CE1 3.34Å; P270-F369 HydrophobicContact CB-CD1 4.3Å; A355-F369 WeakPolarHBondContact CA-O 3.44Å; N356-F369 PolarHBondContact N-O 3.42Å; N356-F369 VanDerWaalsContact N-O 3.12Å; N356-F369 PolarHBondContact OD1-O 3.44Å; L359-F369 HydrophobicContact CD2-CB 3.16Å; L359-F369 HydrophobicContact CD2-CD1 4.42Å; L359-F369 HydrophobicContact CD2-CD2 3.73Å; L359-F369 HydrophobicContact CD2-CG 3.53Å; F363-F369 HydrophobicContact CB-CE2 4.27Å; F363-F369 HydrophobicContact CB-CZ 3.8Å; F363-F369 VanDerWaalsContact O-CE2 3.23Å; F363-F369 WeakPolarHBondContact O-CE2 3.25Å; F363-F369 WeakPolarHBondContact O-CZ 3.27Å; L364-F369 HydrophobicContact CD2-CD2 4.44Å; G367-F369 PolarHBondContact O-N 3.45Å |
| 370 | R | 89.6 | Confident | 86.5 | Confident | 144 Ų | 144 | 62.7 Ų | 62.7 | 54% | 0.543 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 141.8 | 179.6 | 57.7 | 177.8 | 166.6 | -171.2 | -5.8 | 108.3 | E353 G354 A355 P368 | E353-R370 HydrophobicContact CG-CB 4.24Å; E353-R370 WeakPolarHBondContact OE2-CD 3.47Å; G354-R370 CarbonylContact O-C 3.53Å; G354-R370 WeakPolarHBondContact O-CA 3.23Å; A355-R370 HydrophobicContact CB-CB 3.7Å; P368-R370 HydrophobicContact CB-CG 3.85Å; P368-R370 PolarHBondContact O-N 3.12Å |
| 371 | D | 93.4 | Very high | 87.4 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.193 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 157.4 | 172.7 | -168.8 | 25.4 | 0 | 0 | 0 | 109.4 | P271 F273 E353 G354 | P271-D371 WeakPolarHBondContact O-CB 3.32Å; F273-D371 HydrophobicContact CD2-CB 4.08Å; F273-D371 WeakPolarHBondContact CE2-O 3.35Å; F273-D371 PolarHBondContact N-OD2 3.44Å; E353-D371 WeakPolarHBondContact CA-O 3.48Å; G354-D371 PolarHBondContact N-O 3.04Å; G354-D371 PolarHBondContact O-N 3.27Å |
| 372 | T | 94.9 | Very high | 88.1 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.7 | -178.9 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | K351 V352 E353 | K351-T372 WeakPolarHBondContact CE-OG1 3.49Å; V352-T372 CarbonylContact O-C 3.58Å; V352-T372 WeakPolarHBondContact O-CA 3.48Å; E353-T372 HydrophobicContact CB-CG2 3.97Å; E353-T372 HydrophobicContact CG-CG2 4Å |
| 373 | T | 96.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 160.1 | 172.2 | -166.8 | 0 | 0 | 0 | 0 | 110.3 | F273 Q275 K276 Y278 K351 V352 V375 | F273-T373 HydrophobicContact CB-CG2 4.44Å; F273-T373 HydrophobicContact CD1-CG2 3.6Å; F273-T373 HydrophobicContact CD2-CG2 3.98Å; F273-T373 HydrophobicContact CE1-CG2 3.69Å; F273-T373 HydrophobicContact CE2-CG2 4.06Å; F273-T373 HydrophobicContact CG-CG2 3.74Å; F273-T373 HydrophobicContact CZ-CG2 3.92Å; Q275-T373 PolarHBondContact O-OG1 2.8Å; K276-T373 PolarHBondContact O-OG1 3.39Å; K276-T373 VanDerWaalsContact O-OG1 3.11Å; Y278-T373 HydrophobicContact CD2-CG2 3.88Å; Y278-T373 WeakPolarHBondContact CD2-OG1 3.26Å; Y278-T373 HydrophobicContact CE2-CG2 3.84Å; K351-T373 WeakPolarHBondContact CA-O 3.32Å; V352-T373 HydrophobicContact CB-CG2 4.15Å; V352-T373 PolarHBondContact N-O 3.35Å; V352-T373 PolarHBondContact O-N 3.17Å; T373-V375 HydrophobicContact CG2-CG2 4.49Å |
| 374 | T | 96.8 | Very high | 89.1 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 26% | 0.264 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | 176.2 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | K276 H277 Y278 L350 | K276-T374 PolarHBondContact O-N 2.66Å; K276-T374 PolarHBondContact O-OG1 3.14Å; H277-T374 CarbonylContact C-O 3.57Å; H277-T374 VanDerWaalsContact CA-O 3.26Å; H277-T374 WeakPolarHBondContact CA-O 3.37Å; H277-T374 PolarHBondContact CE1-OG1 3.41Å; H277-T374 PolarHBondContact ND1-OG1 2.96Å; Y278-T374 PolarHBondContact N-O 3.27Å; L350-T374 CarbonylContact O-C 3.59Å; L350-T374 WeakPolarHBondContact O-CA 3.4Å |
| 375 | V | 97.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.9 | -179.9 | -173.9 | 0 | 0 | 0 | 0 | 107.6 | Y278 M280 V295 I334 T349 L350 V352 T373 I377 | Y278-V375 WeakPolarHBondContact O-CA 3Å; M280-V375 HydrophobicContact CE-CG1 3.9Å; M280-V375 HydrophobicContact CG-CG1 4.03Å; M280-V375 HydrophobicContact SD-CG1 3.63Å; V295-V375 HydrophobicContact CG1-CG2 3.84Å; I334-V375 HydrophobicContact CD1-CB 4.39Å; I334-V375 HydrophobicContact CD1-CG1 4.03Å; I334-V375 HydrophobicContact CD1-CG2 4.09Å; T349-V375 WeakPolarHBondContact CA-O 3.25Å; L350-V375 HydrophobicContact CB-CB 4.43Å; L350-V375 PolarHBondContact N-O 3.19Å; L350-V375 PolarHBondContact O-N 3.17Å; V352-V375 HydrophobicContact CG2-CG2 3.59Å; T373-V375 HydrophobicContact CG2-CG2 4.49Å; V375-I377 HydrophobicContact CG1-CG1 4.03Å |
| 376 | H | 96.9 | Very high | 90.3 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 33% | 0.333 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 119.6 | 172.3 | -169.1 | 62.6 | 0 | 0 | 0 | 108.9 | Y278 Q279 M280 Y348 T349 | Y278-H376 PolarHBondContact O-N 3.02Å; Q279-H376 WeakPolarHBondContact CA-O 3.27Å; Q279-H376 HydrophobicContact CG-CB 4.49Å; M280-H376 PolarHBondContact N-O 3.4Å; Y348-H376 WeakPolarHBondContact O-CA 3.47Å; Y348-H376 PolarHBondContact O-ND1 3.1Å; T349-H376 PolarHBondContact OG1-ND1 3.03Å |
| 377 | I | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.5 | 179.6 | -56.6 | 175.6 | 0 | 0 | 0 | 107.4 | M280 V282 V292 F321 I334 S347 Y348 L350 V375 | M280-I377 CarbonylContact O-C 3.36Å; M280-I377 WeakPolarHBondContact O-CA 3.45Å; V282-I377 HydrophobicContact CG1-CG2 3.62Å; V292-I377 HydrophobicContact CG1-CD1 4.05Å; V292-I377 HydrophobicContact CG1-CG1 4.26Å; V292-I377 HydrophobicContact CG1-CG2 3.86Å; F321-I377 HydrophobicContact CD1-CD1 4.04Å; F321-I377 HydrophobicContact CD2-CD1 4.1Å; F321-I377 HydrophobicContact CE1-CD1 3.94Å; F321-I377 HydrophobicContact CE1-CG2 4.32Å; F321-I377 HydrophobicContact CE2-CD1 4Å; F321-I377 HydrophobicContact CG-CD1 4.12Å; F321-I377 HydrophobicContact CZ-CB 4.45Å; F321-I377 HydrophobicContact CZ-CD1 3.92Å; F321-I377 HydrophobicContact CZ-CG2 3.94Å; I334-I377 HydrophobicContact CG2-CD1 4.23Å; S347-I377 CarbonylContact C-O 3.57Å; S347-I377 VanDerWaalsContact CA-O 3.24Å; S347-I377 WeakPolarHBondContact CA-O 3.09Å; S347-I377 WeakPolarHBondContact CB-O 3.2Å; Y348-I377 PolarHBondContact N-O 2.91Å; Y348-I377 PolarHBondContact O-N 3.41Å; L350-I377 HydrophobicContact CD1-CD1 3.54Å; L350-I377 HydrophobicContact CG-CD1 4.26Å; V375-I377 HydrophobicContact CG1-CG1 4.03Å |
| 378 | S | 96.5 | Very high | 92.1 | Very high | 45 Ų | 45 | 46 Ų | 46 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.7 | 169.9 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | M280 S281 V282 | M280-S378 PolarHBondContact O-N 2.73Å; M280-S378 PolarHBondContact O-OG 3.45Å; S281-S378 VanDerWaalsContact CA-O 3.24Å; S281-S378 WeakPolarHBondContact CA-O 3.4Å; S281-S378 WeakPolarHBondContact CB-OG 3.38Å; V282-S378 PolarHBondContact N-O 3.38Å; V282-S378 VanDerWaalsContact N-O 3.08Å |
| 379 | V | 96.6 | Very high | 92.6 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.4 | 169.8 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | V282 E284 L340 F342 K346 Y348 | V282-V379 CarbonylContact O-C 3.59Å; V282-V379 WeakPolarHBondContact O-CA 3.35Å; E284-V379 HydrophobicContact CB-CG1 3.67Å; L340-V379 HydrophobicContact CB-CG1 4.47Å; F342-V379 HydrophobicContact CB-CG1 4.14Å; F342-V379 HydrophobicContact CD2-CB 4.36Å; F342-V379 HydrophobicContact CD2-CG1 4.39Å; F342-V379 VanDerWaalsContact CD2-O 3.26Å; F342-V379 WeakPolarHBondContact CD2-O 3.28Å; F342-V379 WeakPolarHBondContact CE2-O 3.49Å; K346-V379 PolarHBondContact O-N 2.68Å; Y348-V379 HydrophobicContact CD2-CG2 4.01Å; Y348-V379 HydrophobicContact CE2-CG2 3.85Å |
| 380 | E | 94.6 | Very high | 92.8 | Very high | 86 Ų | 86 | 53.1 Ų | 53.1 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.3 | 174.8 | -74.5 | 178.6 | -165 | 0 | 0 | 109.3 | S281 V282 L283 E284 | S281-E380 WeakPolarHBondContact CB-OE1 3.25Å; S281-E380 PolarHBondContact OG-OE1 3.02Å; V282-E380 PolarHBondContact O-N 3.05Å; L283-E380 HydrophobicContact CD2-CB 3.9Å; E284-E380 PolarHBondContact N-O 2.84Å |
| 381 | D | 92.1 | Very high | 92.9 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 132 | -180 | -172.5 | -18.1 | 0 | 0 | 0 | 110.7 | E284 F342 | E284-D381 WeakPolarHBondContact OE1-CA 3.32Å; F342-D381 HydrophobicContact CD1-CB 3.61Å; F342-D381 VanDerWaalsContact CD1-CG 3.49Å; F342-D381 WeakPolarHBondContact CD1-OD2 3.41Å; F342-D381 HydrophobicContact CD2-CB 3.99Å; F342-D381 HydrophobicContact CE1-CB 3.61Å; F342-D381 WeakPolarHBondContact CE1-OD2 3.23Å; F342-D381 HydrophobicContact CE2-CB 4Å; F342-D381 HydrophobicContact CG-CB 3.79Å; F342-D381 HydrophobicContact CZ-CB 3.8Å |
| 382 | V | 90.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | trans | -132.2 | 116.5 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | L283 E284 E384 | L283-V382 HydrophobicContact CB-CG2 4.05Å; L283-V382 HydrophobicContact CD2-CG2 3.84Å; L283-V382 HydrophobicContact CG-CG2 4.41Å; E284-V382 HydrophobicContact CG-CB 4.25Å; E284-V382 PolarHBondContact OE1-N 3.02Å; V382-E384 WeakPolarHBondContact O-CG 3.37Å; V382-E384 PolarHBondContact O-N 2.72Å; V382-E384 VanDerWaalsContact O-N 3.15Å | ||
| 383 | D | 86.6 | Confident | 92.9 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | trans | -44.1 | 113.7 | 178.3 | -166.2 | 66.4 | 0 | 0 | 0 | 113.8 | D416 N470 Q473 | D383-D416 WeakPolarHBondContact CA-OD2 3.47Å; D383-N470 PolarHBondContact OD2-ND2 2.96Å; D383-Q473 PolarHBondContact O-NE2 3.15Å | ||
| 384 | E | 87.4 | Confident | 92.8 | Very high | 77 Ų | 77 | 58.6 Ų | 58.6 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -102 | 153 | -178.4 | -64.9 | -163.2 | -66 | 0 | 0 | 111.7 | V382 P415 D416 | V382-E384 WeakPolarHBondContact O-CG 3.37Å; V382-E384 PolarHBondContact O-N 2.72Å; V382-E384 VanDerWaalsContact O-N 3.15Å; E384-P415 HydrophobicContact CB-CG 4.26Å; E384-D416 PolarHBondContact N-OD2 2.97Å |
| 385 | P | 89.4 | Confident | 92.7 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 152.4 | 176.6 | 29.4 | -34.1 | 0 | 0 | 0 | 113 | V387 Q473 | P385-V387 WeakPolarHBondContact O-CG2 3.18Å; P385-V387 PolarHBondContact O-N 2.82Å; P385-Q473 HydrophobicContact CB-CB 4.06Å |
| 386 | P | 91.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 133.7 | 174.7 | -25.5 | 32.7 | 0 | 0 | 0 | 112.9 | A412 I422 A465 G475 | P386-A412 HydrophobicContact CB-CB 4.07Å; P386-I422 HydrophobicContact CB-CD1 4.22Å; P386-I422 HydrophobicContact CB-CG1 4.43Å; P386-I422 HydrophobicContact CB-CG2 4.35Å; P386-I422 HydrophobicContact CG-CG1 4.36Å; P386-I422 HydrophobicContact CG-CG2 4.41Å; P386-A465 HydrophobicContact CB-CB 3.97Å; P386-G475 VanDerWaalsContact O-CA 3.29Å; P386-G475 WeakPolarHBondContact O-CA 3.36Å |
| 387 | V | 91.8 | Very high | 92.5 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 135 | -177.3 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | P385 A412 K413 P415 | P385-V387 WeakPolarHBondContact O-CG2 3.18Å; P385-V387 PolarHBondContact O-N 2.82Å; V387-A412 CarbonylContact O-C 3.47Å; V387-A412 VanDerWaalsContact O-CA 3.25Å; V387-A412 WeakPolarHBondContact O-CA 3.36Å; V387-K413 PolarHBondContact N-O 2.69Å; V387-K413 PolarHBondContact O-N 2.94Å; V387-P415 HydrophobicContact CG2-CG 4.22Å |
| 388 | F | 92.5 | Very high | 92.4 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.8 | 174.9 | -66.5 | -89.8 | 0 | 0 | 0 | 111.4 | P390 I410 A412 Y424 A465 V477 | F388-P390 CarbonylContact C-O 3.58Å; F388-P390 CarbonylContact O-C 3.21Å; F388-I410 HydrophobicContact CD1-CG2 3.65Å; F388-I410 HydrophobicContact CE1-CG2 3.46Å; F388-I410 VanDerWaalsContact CE1-CG2 3.46Å; F388-A412 HydrophobicContact CD1-CB 3.75Å; F388-A412 HydrophobicContact CD2-CB 4.38Å; F388-A412 HydrophobicContact CE1-CB 3.79Å; F388-A412 HydrophobicContact CE2-CB 4.42Å; F388-A412 HydrophobicContact CG-CB 4.08Å; F388-A412 HydrophobicContact CZ-CB 4.17Å; F388-Y424 HydrophobicContact CE1-CD1 4.16Å; F388-Y424 AromaticContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CZ-CD1 4.47Å; F388-Y424 HydrophobicContact CZ-CE1 4.47Å; F388-A465 HydrophobicContact CE1-CB 4.03Å; F388-A465 HydrophobicContact CE2-CB 3.67Å; F388-A465 HydrophobicContact CZ-CB 3.29Å; F388-V477 HydrophobicContact CB-CB 3.99Å; F388-V477 HydrophobicContact CB-CG1 4.41Å; F388-V477 HydrophobicContact CB-CG2 4.18Å; F388-V477 HydrophobicContact CD1-CB 4.07Å; F388-V477 HydrophobicContact CD1-CG1 3.57Å; F388-V477 HydrophobicContact CD2-CB 3.61Å; F388-V477 HydrophobicContact CD2-CG1 3.85Å; F388-V477 HydrophobicContact CE1-CB 4.42Å; F388-V477 HydrophobicContact CE1-CG1 3.59Å; F388-V477 HydrophobicContact CE2-CB 3.99Å; F388-V477 HydrophobicContact CE2-CG1 3.85Å; F388-V477 HydrophobicContact CG-CB 3.63Å; F388-V477 HydrophobicContact CG-CG1 3.69Å; F388-V477 HydrophobicContact CG-CG2 4.32Å; F388-V477 HydrophobicContact CZ-CB 4.36Å; F388-V477 HydrophobicContact CZ-CG1 3.71Å |
| 389 | E | 87.5 | Confident | 92.2 | Very high | 161 Ų | 161 | 59.2 Ų | 59.2 | 75% | 0.752 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -127.6 | 108.3 | 169.6 | -70.2 | -171.2 | 157.6 | 0 | 0 | 108.5 | ||
| 390 | P | 90.4 | Very high | 92 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | S | Bend | cis | -76.7 | 163.1 | 7.9 | 31.3 | -38.3 | 0 | 0 | 0 | 116.1 | F388 F392 Y393 | F388-P390 CarbonylContact C-O 3.58Å; F388-P390 CarbonylContact O-C 3.21Å; P390-F392 VanDerWaalsContact C-N 3.29Å; P390-F392 PolarHBondContact O-N 2.9Å; P390-Y393 WeakPolarHBondContact CD-OH 3.34Å; P390-Y393 HydrophobicContact CG-CD1 4.22Å; P390-Y393 HydrophobicContact CG-CE1 3.77Å; P390-Y393 HydrophobicContact CG-CE2 4.25Å; P390-Y393 WeakPolarHBondContact O-CE2 3.41Å |
| 391 | S | 90.5 | Very high | 91.9 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -77.6 | -4.3 | -178.6 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | V477 | S391-V477 WeakPolarHBondContact O-CG2 3.46Š|
| 392 | F | 93.4 | Very high | 92 | Very high | 135 Ų | 135 | 65 Ų | 65 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.6 | 170.9 | 72.3 | -85.6 | 0 | 0 | 0 | 109.8 | P390 | P390-F392 VanDerWaalsContact C-N 3.29Å; P390-F392 PolarHBondContact O-N 2.9Å |
| 393 | Y | 94.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 68 Ų | 68 | 8% | 0.082 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.3 | 175.1 | -66.6 | -96.3 | 0 | 0 | 0 | 110.4 | P390 Q408 I410 S411 V477 S478 V479 T480 | P390-Y393 WeakPolarHBondContact CD-OH 3.34Å; P390-Y393 HydrophobicContact CG-CD1 4.22Å; P390-Y393 HydrophobicContact CG-CE1 3.77Å; P390-Y393 HydrophobicContact CG-CE2 4.25Å; P390-Y393 WeakPolarHBondContact O-CE2 3.41Å; Y393-Q408 HydrophobicContact CD1-CG 4.11Å; Y393-I410 HydrophobicContact CD2-CG2 4.35Å; Y393-I410 HydrophobicContact CE2-CG2 3.75Å; Y393-S411 PolarHBondContact OH-N 3.13Å; Y393-V477 HydrophobicContact CD2-CG1 4.37Å; Y393-V477 HydrophobicContact CD2-CG2 3.8Å; Y393-V477 HydrophobicContact CE2-CG1 4.33Å; Y393-V477 HydrophobicContact CE2-CG2 3.98Å; Y393-S478 PolarHBondContact N-O 3.44Å; Y393-S478 VanDerWaalsContact N-O 3.13Å; Y393-V479 HydrophobicContact CD2-CG2 4.37Å; Y393-V479 WeakPolarHBondContact O-CA 3.18Å; Y393-T480 PolarHBondContact O-N 3.22Å |
| 394 | F | 95.3 | Very high | 92.4 | Very high | 100 Ų | 100 | 67 Ų | 67 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.5 | 174.5 | 176.6 | -101.5 | 0 | 0 | 0 | 109 | E396 W458 T480 K482 | F394-E396 HydrophobicContact CE1-CG 3.61Å; F394-E396 HydrophobicContact CZ-CG 3.75Å; F394-W458 HydrophobicContact CE2-CH2 4.17Å; F394-W458 AromaticContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CZ-CZ3 4.4Å; F394-T480 WeakPolarHBondContact CA-O 3.39Å; F394-T480 HydrophobicContact CD2-CG2 4.05Å; F394-T480 HydrophobicContact CE2-CG2 4.25Å; F394-K482 HydrophobicContact CE2-CB 4Å; F394-K482 HydrophobicContact CZ-CB 4.01Å; F394-K482 HydrophobicContact CZ-CD 3.98Å |
| 395 | V | 94.9 | Very high | 92.6 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.3 | -172.6 | -167 | 0 | 0 | 0 | 0 | 109.9 | V397 I407 Q408 V479 T480 V481 K482 | V395-V397 HydrophobicContact CG1-CG2 4.03Å; V395-I407 HydrophobicContact CB-CG2 4.48Å; V395-I407 HydrophobicContact CG1-CB 4.44Å; V395-I407 HydrophobicContact CG1-CG2 3.3Å; V395-Q408 HydrophobicContact CG1-CB 4.45Å; V395-Q408 HydrophobicContact CG2-CB 3.8Å; V395-Q408 HydrophobicContact CG2-CG 3.97Å; V395-V479 HydrophobicContact CG2-CG1 4.37Å; V395-T480 PolarHBondContact N-O 2.71Å; V395-V481 CarbonylContact O-C 3.59Å; V395-V481 WeakPolarHBondContact O-CA 3.26Å; V395-K482 PolarHBondContact O-N 3.31Å |
| 396 | E | 94.9 | Very high | 92.8 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.5 | 175.5 | -58.9 | -167.9 | 137.6 | 0 | 0 | 109.6 | F394 K482 L484 | F394-E396 HydrophobicContact CE1-CG 3.61Å; F394-E396 HydrophobicContact CZ-CG 3.75Å; E396-K482 WeakPolarHBondContact CA-O 3.36Å; E396-K482 HydrophobicContact CG-CB 4.32Å; E396-K482 HydrophobicContact CG-CD 4.22Å; E396-K482 WeakPolarHBondContact OE1-CD 3.47Å; E396-K482 IonicContact OE1-NZ 2.75Å; E396-K482 PolarHBondContact OE1-NZ 3.04Å; E396-L484 HydrophobicContact CB-CD1 4.04Å; E396-L484 HydrophobicContact CB-CD2 4.13Å; E396-L484 HydrophobicContact CB-CG 4.09Å |
| 397 | V | 95.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.03 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 127.7 | -172.6 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | V395 V401 I407 L451 V481 K482 V483 L484 | V395-V397 HydrophobicContact CG1-CG2 4.03Å; V397-V401 HydrophobicContact CG1-CB 4.02Å; V397-V401 HydrophobicContact CG1-CG1 3.79Å; V397-V401 HydrophobicContact CG1-CG2 4.13Å; V397-I407 HydrophobicContact CB-CG2 4.41Å; V397-I407 HydrophobicContact CG1-CG2 4.39Å; V397-I407 HydrophobicContact CG2-CB 4.47Å; V397-I407 HydrophobicContact CG2-CD1 4.2Å; V397-I407 HydrophobicContact CG2-CG2 3.17Å; V397-L451 HydrophobicContact CB-CD1 4.48Å; V397-L451 HydrophobicContact CG1-CD1 4.2Å; V397-V481 HydrophobicContact CB-CG1 4.33Å; V397-V481 HydrophobicContact CG2-CG1 3.64Å; V397-K482 PolarHBondContact N-O 2.93Å; V397-V483 CarbonylContact O-C 3.57Å; V397-V483 VanDerWaalsContact O-CA 3.26Å; V397-V483 WeakPolarHBondContact O-CA 3.25Å; V397-L484 PolarHBondContact O-N 2.75Å |
| 398 | P | 93.4 | Very high | 93 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 31% | 0.312 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 149.6 | 173.7 | 33.1 | -36 | 0 | 0 | 0 | 111 | D400 V401 L484 V486 | P398-D400 VanDerWaalsContact C-N 3.31Å; P398-D400 WeakPolarHBondContact CB-OD1 3.5Å; P398-D400 PolarHBondContact O-N 3.46Å; P398-V401 HydrophobicContact CG-CB 4.48Å; P398-V401 VanDerWaalsContact O-CB 3.25Å; P398-V401 WeakPolarHBondContact O-CB 3.1Å; P398-V401 VanDerWaalsContact O-CG1 3.22Å; P398-V401 WeakPolarHBondContact O-CG1 3.45Å; P398-V401 PolarHBondContact O-N 2.78Å; P398-L484 WeakPolarHBondContact CA-O 3.13Å; P398-L484 HydrophobicContact CB-CB 4.46Å; P398-V486 HydrophobicContact CB-CG2 3.88Å |
| 399 | E | 93.2 | Very high | 93 | Very high | 11 Ų | 11 | 72.9 Ų | 72.9 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26 | -178.4 | 72.3 | -163.8 | 126.1 | 0 | 0 | 114.2 | V401 L451 R453 V483 L484 V486 | E399-V401 PolarHBondContact O-N 3Å; E399-V401 VanDerWaalsContact O-N 3.08Å; E399-L451 HydrophobicContact CB-CB 4.5Å; E399-R453 HydrophobicContact CB-CB 4.43Å; E399-R453 WeakPolarHBondContact OE2-CB 3.49Å; E399-R453 PolarHBondContact OE2-N 2.76Å; E399-V483 HydrophobicContact CB-CG1 3.65Å; E399-L484 PolarHBondContact N-O 3.37Å; E399-L484 VanDerWaalsContact N-O 3.14Å; E399-V486 HydrophobicContact CG-CB 3.9Å; E399-V486 HydrophobicContact CG-CG2 4.1Å; E399-V486 PolarHBondContact OE1-N 3.19Å; E399-V486 VanDerWaalsContact OE1-O 3.08Å |
| 400 | D | 92 | Very high | 93.3 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 7.5 | 176.8 | 76.4 | -22.8 | 0 | 0 | 0 | 114.1 | P398 E402 V486 | P398-D400 VanDerWaalsContact C-N 3.31Å; P398-D400 WeakPolarHBondContact CB-OD1 3.5Å; P398-D400 PolarHBondContact O-N 3.46Å; D400-E402 PolarHBondContact O-N 2.94Å; D400-V486 HydrophobicContact CB-CB 4.37Å; D400-V486 HydrophobicContact CB-CG1 4.07Å; D400-V486 HydrophobicContact CB-CG2 4.18Å |
| 401 | V | 94 | Very high | 93.3 | Very high | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.17 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 133.7 | -178.4 | 69.8 | 0 | 0 | 0 | 0 | 112 | V397 P398 E399 T405 T447 L451 | V397-V401 HydrophobicContact CG1-CB 4.02Å; V397-V401 HydrophobicContact CG1-CG1 3.79Å; V397-V401 HydrophobicContact CG1-CG2 4.13Å; P398-V401 HydrophobicContact CG-CB 4.48Å; P398-V401 VanDerWaalsContact O-CB 3.25Å; P398-V401 WeakPolarHBondContact O-CB 3.1Å; P398-V401 VanDerWaalsContact O-CG1 3.22Å; P398-V401 WeakPolarHBondContact O-CG1 3.45Å; P398-V401 PolarHBondContact O-N 2.78Å; E399-V401 PolarHBondContact O-N 3Å; E399-V401 VanDerWaalsContact O-N 3.08Å; V401-T405 HydrophobicContact CG2-CG2 4.04Å; V401-T405 WeakPolarHBondContact CG2-OG1 3.23Å; V401-T447 HydrophobicContact CG1-CG2 3.8Å; V401-L451 HydrophobicContact CG1-CD1 4.1Å |
| 402 | E | 93.3 | Very high | 93.3 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 144.8 | 175.9 | -66.8 | -175 | 177.9 | 0 | 0 | 111.8 | D400 G404 T405 T447 | D400-E402 PolarHBondContact O-N 2.94Å; E402-G404 PolarHBondContact O-N 2.89Å; E402-T405 HydrophobicContact CB-CG2 3.97Å; E402-T405 WeakPolarHBondContact O-CB 3.48Å; E402-T405 WeakPolarHBondContact O-CG2 3.47Å; E402-T405 PolarHBondContact O-N 3.18Å; E402-T405 PolarHBondContact O-OG1 3.17Å; E402-T447 PolarHBondContact O-OG1 2.86Å |
| 403 | I | 93.6 | Very high | 93.1 | Very high | 109 Ų | 109 | 60.9 Ų | 60.9 | 56% | 0.559 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 132.7 | 176.1 | -56.8 | 171.2 | 0 | 0 | 0 | 109.5 | T447 | I403-T447 WeakPolarHBondContact CA-OG1 3.36Š|
| 404 | G | 90.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 60.1 Ų | 60.1 | 38% | 0.381 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 11.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E402 M446 T447 | E402-G404 PolarHBondContact O-N 2.89Å; G404-M446 WeakPolarHBondContact O-CE 3.28Å; G404-T447 WeakPolarHBondContact CA-O 3.39Å; G404-T447 PolarHBondContact N-O 3.07Å; G404-T447 PolarHBondContact N-OG1 2.9Å; G404-T447 VanDerWaalsContact N-OG1 3.16Å |
| 405 | T | 92.5 | Very high | 92.4 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | trans | -74 | 137.7 | 169.4 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | V401 E402 M446 T447 | V401-T405 HydrophobicContact CG2-CG2 4.04Å; V401-T405 WeakPolarHBondContact CG2-OG1 3.23Å; E402-T405 HydrophobicContact CB-CG2 3.97Å; E402-T405 WeakPolarHBondContact O-CB 3.48Å; E402-T405 WeakPolarHBondContact O-CG2 3.47Å; E402-T405 PolarHBondContact O-N 3.18Å; E402-T405 PolarHBondContact O-OG1 3.17Å; T405-M446 WeakPolarHBondContact O-CA 3.21Å; T405-M446 WeakPolarHBondContact O-CB 3.36Å; T405-T447 PolarHBondContact N-OG1 2.91Å; T405-T447 PolarHBondContact O-N 3Å; T405-T447 PolarHBondContact OG1-OG1 2.84Å; T405-T447 VanDerWaalsContact OG1-OG1 3.12Å | ||
| 406 | T | 94.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.3 | 174.5 | -55.4 | 0 | 0 | 0 | 0 | 109.5 | A444 | T406-A444 HydrophobicContact CG2-CB 3.87Å |
| 407 | I | 93.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -49 | -175.1 | -38.8 | 178.4 | 0 | 0 | 0 | 110.7 | V395 V397 F436 L445 T447 | V395-I407 HydrophobicContact CB-CG2 4.48Å; V395-I407 HydrophobicContact CG1-CB 4.44Å; V395-I407 HydrophobicContact CG1-CG2 3.3Å; V397-I407 HydrophobicContact CB-CG2 4.41Å; V397-I407 HydrophobicContact CG1-CG2 4.39Å; V397-I407 HydrophobicContact CG2-CB 4.47Å; V397-I407 HydrophobicContact CG2-CD1 4.2Å; V397-I407 HydrophobicContact CG2-CG2 3.17Å; I407-F436 HydrophobicContact CD1-CD1 3.85Å; I407-F436 HydrophobicContact CD1-CE1 3.82Å; I407-L445 PolarHBondContact N-O 3.33Å; I407-T447 HydrophobicContact CD1-CG2 3.53Å; I407-T447 HydrophobicContact CG1-CG2 4.02Å |
| 408 | Q | 93.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 34% | 0.336 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 149.3 | -175.7 | -177.7 | 57.7 | 47.9 | 0 | 0 | 110 | Y393 V395 L445 | Y393-Q408 HydrophobicContact CD1-CG 4.11Å; V395-Q408 HydrophobicContact CG1-CB 4.45Å; V395-Q408 HydrophobicContact CG2-CB 3.8Å; V395-Q408 HydrophobicContact CG2-CG 3.97Å; Q408-L445 WeakPolarHBondContact O-CB 3.47Å; Q408-L445 PolarHBondContact O-N 2.75Å |
| 409 | I | 93.1 | Very high | 88.1 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.4 | 170.7 | -58.2 | 172.2 | 0 | 0 | 0 | 108.1 | ||
| 410 | I | 92.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -105.5 | 126.9 | 179.4 | -56.3 | 170.2 | 0 | 0 | 0 | 107.2 | F388 Y393 G443 L445 V463 V477 V479 | F388-I410 HydrophobicContact CD1-CG2 3.65Å; F388-I410 HydrophobicContact CE1-CG2 3.46Å; F388-I410 VanDerWaalsContact CE1-CG2 3.46Å; Y393-I410 HydrophobicContact CD2-CG2 4.35Å; Y393-I410 HydrophobicContact CE2-CG2 3.75Å; I410-G443 PolarHBondContact N-O 2.8Å; I410-G443 WeakPolarHBondContact O-CA 3.32Å; I410-L445 HydrophobicContact CD1-CB 4.22Å; I410-L445 HydrophobicContact CD1-CD2 4.34Å; I410-V463 HydrophobicContact CD1-CB 4.1Å; I410-V463 HydrophobicContact CD1-CG1 4.09Å; I410-V463 HydrophobicContact CD1-CG2 3.61Å; I410-V463 HydrophobicContact CG2-CG1 4.39Å; I410-V477 HydrophobicContact CG2-CG1 4.04Å; I410-V479 HydrophobicContact CD1-CG2 3.68Å | ||
| 411 | S | 90.8 | Very high | 85.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | trans | -126.5 | 129.7 | -179.6 | -168.4 | 0 | 0 | 0 | 0 | 109.8 | Y393 | Y393-S411 PolarHBondContact OH-N 3.13Š| ||
| 412 | A | 90.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.033 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 157.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P386 V387 F388 I422 Y424 A465 | P386-A412 HydrophobicContact CB-CB 4.07Å; V387-A412 CarbonylContact O-C 3.47Å; V387-A412 VanDerWaalsContact O-CA 3.25Å; V387-A412 WeakPolarHBondContact O-CA 3.36Å; F388-A412 HydrophobicContact CD1-CB 3.75Å; F388-A412 HydrophobicContact CD2-CB 4.38Å; F388-A412 HydrophobicContact CE1-CB 3.79Å; F388-A412 HydrophobicContact CE2-CB 4.42Å; F388-A412 HydrophobicContact CG-CB 4.08Å; F388-A412 HydrophobicContact CZ-CB 4.17Å; A412-I422 HydrophobicContact CB-CD1 4.31Å; A412-I422 HydrophobicContact CB-CG2 4.4Å; A412-I422 VanDerWaalsContact O-CD1 3.29Å; A412-I422 WeakPolarHBondContact O-CD1 3.44Å; A412-Y424 HydrophobicContact CB-CE1 3.98Å; A412-Y424 PolarHBondContact N-OH 3.28Å; A412-Y424 PolarHBondContact O-OH 2.9Å; A412-A465 HydrophobicContact CB-CB 3.62Å |
| 413 | K | 88.8 | Confident | 85.4 | Confident | 139 Ų | 139 | 66.9 Ų | 66.9 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.1 | 171 | -174.2 | -174.1 | 172.2 | -159.3 | 0 | 108.2 | V387 | V387-K413 PolarHBondContact N-O 2.69Å; V387-K413 PolarHBondContact O-N 2.94Å |
| 414 | D | 88.5 | Confident | 85.4 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.027 | 34% | 0.338 | C | S | . | . | trans | -85.8 | 128.5 | 174.2 | -166.3 | -83.9 | 0 | 0 | 0 | 109.2 | D416 V417 I422 | D414-D416 VanDerWaalsContact C-N 3.3Å; D414-D416 PolarHBondContact OD1-N 3.03Å; D414-V417 HydrophobicContact CB-CB 4.18Å; D414-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D414-V417 PolarHBondContact OD1-N 2.77Å; D414-I422 HydrophobicContact CB-CD1 4.18Å; D414-I422 HydrophobicContact CB-CG1 4.47Å | ||
| 415 | P | 86.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -60.7 | -37.9 | 177.8 | -24.4 | 35.5 | 0 | 0 | 0 | 113.3 | E343 E384 V387 | E343-P415 HydrophobicContact CG-CB 3.99Å; E343-P415 WeakPolarHBondContact CG-O 3.44Å; E384-P415 HydrophobicContact CB-CG 4.26Å; V387-P415 HydrophobicContact CG2-CG 4.22Å |
| 416 | D | 84.3 | Confident | 85.6 | Confident | 34 Ų | 34 | 62 Ų | 62 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -88.2 | -34.9 | -169.3 | -49.1 | -43.4 | 0 | 0 | 0 | 111.7 | D383 E384 D414 | D383-D416 WeakPolarHBondContact CA-OD2 3.47Å; E384-D416 PolarHBondContact N-OD2 2.97Å; D414-D416 VanDerWaalsContact C-N 3.3Å; D414-D416 PolarHBondContact OD1-N 3.03Å |
| 417 | V | 73.5 | Confident | 85.7 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | trans | -100 | 115.8 | -172.7 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | D414 N419 | D414-V417 HydrophobicContact CB-CB 4.18Å; D414-V417 WeakPolarHBondContact OD1-CG2 3.28Å; D414-V417 PolarHBondContact OD1-N 2.77Å; V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 VanDerWaalsContact CG1-O 3.28Å; V417-N419 WeakPolarHBondContact CG1-O 3.08Å; V417-N419 PolarHBondContact O-N 3.03Å | ||
| 418 | I | 65.9 | Low | 85.6 | Confident | 160 Ų | 160 | 68.6 Ų | 68.6 | 82% | 0.821 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -70.7 | -21.9 | 179.2 | -58.1 | 170.4 | 0 | 0 | 0 | 112.7 | ||
| 419 | N | 64.9 | Low | 85.5 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -117.1 | 111.9 | -176.9 | -75.7 | -22.7 | 0 | 0 | 0 | 112.4 | V417 S421 | V417-N419 VanDerWaalsContact C-N 3.29Å; V417-N419 VanDerWaalsContact CG1-O 3.28Å; V417-N419 WeakPolarHBondContact CG1-O 3.08Å; V417-N419 PolarHBondContact O-N 3.03Å; N419-S421 PolarHBondContact O-N 3.34Å |
| 420 | N | 60.9 | Low | 85.5 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | trans | -46.8 | 80.1 | -176 | -62.1 | -6.7 | 0 | 0 | 0 | 116.5 | ||||
| 421 | S | 76.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -101 | 37.4 | 168.6 | 79.8 | 0 | 0 | 0 | 0 | 112.5 | N419 L468 | N419-S421 PolarHBondContact O-N 3.34Å; S421-L468 VanDerWaalsContact O-CB 3.25Å; S421-L468 WeakPolarHBondContact O-CB 3.29Å; S421-L468 PolarHBondContact O-N 3.16Å | ||
| 422 | I | 88.4 | Confident | 85.5 | Confident | 14 Ų | 14 | 68.6 Ų | 68.6 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 138.9 | -178.1 | -58 | 165.7 | 0 | 0 | 0 | 109.7 | P386 A412 D414 Y424 A465 | P386-I422 HydrophobicContact CB-CD1 4.22Å; P386-I422 HydrophobicContact CB-CG1 4.43Å; P386-I422 HydrophobicContact CB-CG2 4.35Å; P386-I422 HydrophobicContact CG-CG1 4.36Å; P386-I422 HydrophobicContact CG-CG2 4.41Å; A412-I422 HydrophobicContact CB-CD1 4.31Å; A412-I422 HydrophobicContact CB-CG2 4.4Å; A412-I422 VanDerWaalsContact O-CD1 3.29Å; A412-I422 WeakPolarHBondContact O-CD1 3.44Å; D414-I422 HydrophobicContact CB-CD1 4.18Å; D414-I422 HydrophobicContact CB-CG1 4.47Å; I422-Y424 HydrophobicContact CG2-CE1 4.19Å; I422-Y424 HydrophobicContact CG2-CE2 4.33Å; I422-A465 HydrophobicContact CG2-CB 3.74Å |
| 423 | R | 90.1 | Very high | 85.4 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.5 | 173.3 | -69.8 | 178.2 | 165.9 | 178.2 | 0.6 | 110.7 | I440 A465 M466 | R423-I440 WeakPolarHBondContact CA-O 3.35Å; R423-I440 HydrophobicContact CB-CD1 4.39Å; R423-I440 HydrophobicContact CB-CG1 3.91Å; R423-I440 HydrophobicContact CG-CD1 4.22Å; R423-I440 HydrophobicContact CG-CG1 3.97Å; R423-A465 WeakPolarHBondContact O-CA 3.34Å; R423-M466 HydrophobicContact CB-CG 4.04Å; R423-M466 PolarHBondContact N-O 3.11Å; R423-M466 PolarHBondContact O-N 2.78Å |
| 424 | Y | 92.9 | Very high | 85.6 | Confident | 19 Ų | 19 | 70.5 Ų | 70.5 | 8% | 0.075 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 145 | 177.7 | -57.4 | -84 | 0 | 0 | 0 | 111.9 | F388 A412 I422 I440 L464 A465 | F388-Y424 HydrophobicContact CE1-CD1 4.16Å; F388-Y424 AromaticContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CE1-CE1 3.9Å; F388-Y424 HydrophobicContact CZ-CD1 4.47Å; F388-Y424 HydrophobicContact CZ-CE1 4.47Å; A412-Y424 HydrophobicContact CB-CE1 3.98Å; A412-Y424 PolarHBondContact N-OH 3.28Å; A412-Y424 PolarHBondContact O-OH 2.9Å; I422-Y424 HydrophobicContact CG2-CE1 4.19Å; I422-Y424 HydrophobicContact CG2-CE2 4.33Å; Y424-I440 PolarHBondContact N-O 2.91Å; Y424-L464 CarbonylContact C-O 3.37Å; Y424-L464 WeakPolarHBondContact CA-O 3.47Å; Y424-A465 HydrophobicContact CD1-CB 4.16Å; Y424-A465 HydrophobicContact CE1-CB 4.09Å |
| 425 | S | 93.6 | Very high | 85.8 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160.2 | 171.6 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | V463 L464 | S425-V463 CarbonylContact O-C 3.59Å; S425-V463 WeakPolarHBondContact O-CA 3.21Å; S425-L464 PolarHBondContact N-O 2.99Å; S425-L464 PolarHBondContact O-N 3.07Å |
| 426 | I | 95.1 | Very high | 86.3 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 16% | 0.159 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.1 | 173.8 | -59.7 | 172.9 | 0 | 0 | 0 | 107.9 | R428 D431 F436 V438 L445 I461 V463 | I426-R428 PolarHBondContact O-N 3.23Å; I426-D431 HydrophobicContact CG2-CB 4.17Å; I426-F436 HydrophobicContact CD1-CB 3.89Å; I426-V438 HydrophobicContact CD1-CB 4.21Å; I426-V438 HydrophobicContact CD1-CG1 4.36Å; I426-V438 HydrophobicContact CG1-CB 4.02Å; I426-V438 HydrophobicContact CG1-CG1 3.73Å; I426-L445 HydrophobicContact CD1-CD1 3.92Å; I426-I461 HydrophobicContact CG2-CB 4.45Å; I426-V463 HydrophobicContact CG1-CG2 4.32Å |
| 427 | D | 94.8 | Very high | 86.8 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 29% | 0.289 | 38% | 0.379 | S | S | . | . | trans | -66 | 121 | 170.4 | -179 | 11.1 | 0 | 0 | 0 | 109.8 | S429 S430 D431 T462 L464 | D427-S429 PolarHBondContact O-N 2.87Å; D427-S429 PolarHBondContact OD1-N 3.36Å; D427-S429 PolarHBondContact OD2-OG 2.88Å; D427-S430 PolarHBondContact O-N 2.8Å; D427-S430 PolarHBondContact O-OG 2.95Å; D427-D431 PolarHBondContact O-N 2.87Å; D427-T462 WeakPolarHBondContact CB-OG1 3.44Å; D427-T462 PolarHBondContact N-O 3.02Å; D427-L464 HydrophobicContact CB-CD1 4.23Å; D427-L464 HydrophobicContact CB-CG 4.4Å | ||
| 428 | R | 91.2 | Very high | 87.8 | Confident | 198 Ų | 198 | 73.6 Ų | 73.6 | 75% | 0.747 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.6 | -179.8 | -66.6 | -176.7 | 177.7 | 163.2 | 2.6 | 112.9 | I426 S430 D431 | I426-R428 PolarHBondContact O-N 3.23Å; R428-S430 VanDerWaalsContact C-N 3.31Å; R428-D431 CarbonylContact O-C 3.4Å |
| 429 | S | 92.1 | Very high | 89.2 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 64% | 0.643 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33 | 177.1 | 88.1 | 0 | 0 | 0 | 0 | 111.8 | D427 | D427-S429 PolarHBondContact O-N 2.87Å; D427-S429 PolarHBondContact OD1-N 3.36Å; D427-S429 PolarHBondContact OD2-OG 2.88Å |
| 430 | S | 93.3 | Very high | 90.4 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -24.3 | -177.9 | 71 | 0 | 0 | 0 | 0 | 114 | D427 R428 T462 | D427-S430 PolarHBondContact O-N 2.8Å; D427-S430 PolarHBondContact O-OG 2.95Å; R428-S430 VanDerWaalsContact C-N 3.31Å; S430-T462 WeakPolarHBondContact CB-OG1 3.24Å; S430-T462 PolarHBondContact OG-N 3.12Å; S430-T462 PolarHBondContact OG-OG1 2.86Å; S430-T462 VanDerWaalsContact OG-OG1 3.1Å |
| 431 | D | 92.9 | Very high | 91.8 | Very high | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.059 | 32% | 0.323 | C | S | . | . | trans | -128.3 | 73.2 | 174 | -176 | 15.7 | 0 | 0 | 0 | 111.3 | I426 D427 R428 G433 R434 F435 F436 I461 | I426-D431 HydrophobicContact CG2-CB 4.17Å; D427-D431 PolarHBondContact O-N 2.87Å; R428-D431 CarbonylContact O-C 3.4Å; D431-G433 PolarHBondContact O-N 3.46Å; D431-R434 PolarHBondContact O-N 2.88Å; D431-R434 PolarHBondContact OD1-N 3.06Å; D431-R434 VanDerWaalsContact OD2-C 3.32Å; D431-R434 VanDerWaalsContact OD2-CA 3.23Å; D431-R434 WeakPolarHBondContact OD2-CA 3.32Å; D431-F435 PolarHBondContact OD1-N 3.4Å; D431-F435 VanDerWaalsContact OD1-N 3.08Å; D431-F435 PolarHBondContact OD2-N 3.39Å; D431-F436 PolarHBondContact OD2-N 2.86Å; D431-I461 HydrophobicContact CB-CG2 4Å | ||
| 432 | P | 89.9 | Confident | 92.4 | Very high | 112 Ų | 112 | 65.5 Ų | 65.5 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.3 | -180 | 26.1 | -34.3 | 0 | 0 | 0 | 112.3 | R434 | P432-R434 VanDerWaalsContact C-N 3.33Š|
| 433 | G | 88.9 | Confident | 92.5 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D431 F435 R449 | D431-G433 PolarHBondContact O-N 3.46Å; G433-F435 VanDerWaalsContact C-N 3.28Å; G433-F435 PolarHBondContact O-N 3.49Å; G433-R449 WeakPolarHBondContact O-CD 3.37Å; G433-R449 PolarHBondContact O-NH1 2.89Å |
| 434 | R | 92.9 | Very high | 92.7 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | trans | 54.3 | 45.7 | -174 | -55.9 | -176.5 | -178.4 | -179.2 | 1.1 | 111.7 | D431 P432 F436 | D431-R434 PolarHBondContact O-N 2.88Å; D431-R434 PolarHBondContact OD1-N 3.06Å; D431-R434 VanDerWaalsContact OD2-C 3.32Å; D431-R434 VanDerWaalsContact OD2-CA 3.23Å; D431-R434 WeakPolarHBondContact OD2-CA 3.32Å; P432-R434 VanDerWaalsContact C-N 3.33Å; R434-F436 VanDerWaalsContact C-N 3.27Å | ||
| 435 | F | 93.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | trans | -71.8 | -25.5 | 177 | -69.5 | -80.3 | 0 | 0 | 0 | 112.3 | D431 G433 A448 R449 L451 H459 | D431-F435 PolarHBondContact OD1-N 3.4Å; D431-F435 VanDerWaalsContact OD1-N 3.08Å; D431-F435 PolarHBondContact OD2-N 3.39Å; G433-F435 VanDerWaalsContact C-N 3.28Å; G433-F435 PolarHBondContact O-N 3.49Å; F435-A448 PolarHBondContact O-N 2.94Å; F435-R449 HydrophobicContact CD1-CB 3.91Å; F435-R449 HydrophobicContact CE1-CB 4.5Å; F435-R449 PolarHBondContact O-N 3.48Å; F435-L451 HydrophobicContact CB-CD2 4.05Å; F435-L451 HydrophobicContact CD1-CD2 4.07Å; F435-L451 HydrophobicContact CG-CD2 4.37Å; F435-H459 AromaticContact CD2-CE1 3.78Å | ||
| 436 | F | 95.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.6 | -176.4 | -54 | -81.9 | 0 | 0 | 0 | 112.5 | I407 I426 D431 R434 L445 M446 L451 H459 I461 V481 | I407-F436 HydrophobicContact CD1-CD1 3.85Å; I407-F436 HydrophobicContact CD1-CE1 3.82Å; I426-F436 HydrophobicContact CD1-CB 3.89Å; D431-F436 PolarHBondContact OD2-N 2.86Å; R434-F436 VanDerWaalsContact C-N 3.27Å; F436-L445 HydrophobicContact CB-CD1 3.98Å; F436-M446 CarbonylContact C-O 3.49Å; F436-M446 WeakPolarHBondContact CA-O 3.46Å; F436-L451 HydrophobicContact CE1-CD1 4.32Å; F436-L451 HydrophobicContact CE1-CD2 4.23Å; F436-L451 HydrophobicContact CZ-CD1 4.44Å; F436-L451 HydrophobicContact CZ-CD2 3.88Å; F436-H459 HydrophobicContact CE2-CB 3.55Å; F436-H459 AromaticContact CE2-CG 3.58Å; F436-H459 AromaticContact CE2-ND1 3.89Å; F436-H459 HydrophobicContact CZ-CB 3.94Å; F436-H459 AromaticContact CZ-CD2 3.93Å; F436-H459 AromaticContact CZ-CG 3.89Å; F436-I461 HydrophobicContact CB-CD1 4.17Å; F436-I461 HydrophobicContact CD2-CD1 4.16Å; F436-I461 HydrophobicContact CD2-CG2 3.82Å; F436-I461 HydrophobicContact CE2-CG2 4.18Å; F436-I461 HydrophobicContact CG-CD1 4.11Å; F436-V481 HydrophobicContact CE1-CB 4.39Å; F436-V481 HydrophobicContact CE1-CG1 4.03Å; F436-V481 HydrophobicContact CE1-CG2 4.14Å; F436-V481 HydrophobicContact CZ-CB 4.04Å; F436-V481 HydrophobicContact CZ-CG1 3.96Å; F436-V481 HydrophobicContact CZ-CG2 4.09Å |
| 437 | Y | 94.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 47% | 0.467 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.8 | 174.1 | 170.5 | -98.2 | 0 | 0 | 0 | 109.1 | D439 L445 M446 | Y437-D439 HydrophobicContact CE1-CB 4.41Å; Y437-L445 CarbonylContact O-C 3.52Å; Y437-M446 HydrophobicContact CD1-SD 4.23Å; Y437-M446 PolarHBondContact N-O 3.37Å; Y437-M446 PolarHBondContact O-N 2.85Å |
| 438 | V | 95.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.5 | 172.4 | 71.8 | 0 | 0 | 0 | 0 | 109.6 | I426 I440 A444 L445 | I426-V438 HydrophobicContact CD1-CB 4.21Å; I426-V438 HydrophobicContact CD1-CG1 4.36Å; I426-V438 HydrophobicContact CG1-CB 4.02Å; I426-V438 HydrophobicContact CG1-CG1 3.73Å; V438-I440 PolarHBondContact O-N 2.93Å; V438-A444 WeakPolarHBondContact CA-O 2.99Å; V438-L445 HydrophobicContact CB-CD1 4.44Å |
| 439 | D | 94.1 | Very high | 92.9 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | trans | -68.8 | 129 | 173.9 | -179.4 | 67.7 | 0 | 0 | 0 | 111 | Y437 T441 S442 G443 A444 | Y437-D439 HydrophobicContact CE1-CB 4.41Å; D439-T441 VanDerWaalsContact C-N 3.26Å; D439-T441 PolarHBondContact O-N 2.84Å; D439-T441 PolarHBondContact OD2-N 3.48Å; D439-T441 PolarHBondContact OD2-OG1 3.48Å; D439-T441 VanDerWaalsContact OD2-OG1 3.13Å; D439-S442 VanDerWaalsContact CB-OG 3.24Å; D439-S442 WeakPolarHBondContact CB-OG 3.48Å; D439-S442 VanDerWaalsContact CG-OG 3.23Å; D439-S442 WeakPolarHBondContact OD2-CB 3.24Å; D439-S442 PolarHBondContact OD2-N 2.79Å; D439-S442 PolarHBondContact OD2-OG 3.23Å; D439-G443 WeakPolarHBondContact O-CA 3.37Å; D439-G443 PolarHBondContact O-N 3.08Å; D439-A444 HydrophobicContact CB-CB 4.24Å; D439-A444 PolarHBondContact N-O 3.22Å | ||
| 440 | I | 91.1 | Very high | 93 | Very high | 78 Ų | 78 | 53.9 Ų | 53.9 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.9 | -170 | -170.2 | 171.3 | 0 | 0 | 0 | 113.4 | R423 Y424 V438 | R423-I440 WeakPolarHBondContact CA-O 3.35Å; R423-I440 HydrophobicContact CB-CD1 4.39Å; R423-I440 HydrophobicContact CB-CG1 3.91Å; R423-I440 HydrophobicContact CG-CD1 4.22Å; R423-I440 HydrophobicContact CG-CG1 3.97Å; Y424-I440 PolarHBondContact N-O 2.91Å; V438-I440 PolarHBondContact O-N 2.93Å |
| 441 | T | 89.7 | Confident | 93 | Very high | 111 Ų | 111 | 53 Ų | 53 | 68% | 0.681 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -36.9 | -176.8 | 53 | 0 | 0 | 0 | 0 | 114.5 | D439 | D439-T441 VanDerWaalsContact C-N 3.26Å; D439-T441 PolarHBondContact O-N 2.84Å; D439-T441 PolarHBondContact OD2-N 3.48Å; D439-T441 PolarHBondContact OD2-OG1 3.48Å; D439-T441 VanDerWaalsContact OD2-OG1 3.13Å |
| 442 | S | 90.1 | Very high | 93 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 44% | 0.441 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -17 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | D439 A444 | D439-S442 VanDerWaalsContact CB-OG 3.24Å; D439-S442 WeakPolarHBondContact CB-OG 3.48Å; D439-S442 VanDerWaalsContact CG-OG 3.23Å; D439-S442 WeakPolarHBondContact OD2-CB 3.24Å; D439-S442 PolarHBondContact OD2-N 2.79Å; D439-S442 PolarHBondContact OD2-OG 3.23Å; S442-A444 PolarHBondContact O-N 2.89Å; S442-A444 WeakPolarHBondContact OG-CB 3.24Å; S442-A444 PolarHBondContact OG-N 2.98Å |
| 443 | G | 90.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 68.5 | 15.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | I410 D439 L445 | I410-G443 PolarHBondContact N-O 2.8Å; I410-G443 WeakPolarHBondContact O-CA 3.32Å; D439-G443 WeakPolarHBondContact O-CA 3.37Å; D439-G443 PolarHBondContact O-N 3.08Å; G443-L445 PolarHBondContact O-N 2.71Å | ||
| 444 | A | 94.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 114.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T406 V438 D439 S442 | T406-A444 HydrophobicContact CG2-CB 3.87Å; V438-A444 WeakPolarHBondContact CA-O 2.99Å; D439-A444 HydrophobicContact CB-CB 4.24Å; D439-A444 PolarHBondContact N-O 3.22Å; S442-A444 PolarHBondContact O-N 2.89Å; S442-A444 WeakPolarHBondContact OG-CB 3.24Å; S442-A444 PolarHBondContact OG-N 2.98Å |
| 445 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.3 | 174 | -176.2 | 68.6 | 0 | 0 | 0 | 109.6 | I407 Q408 I410 I426 F436 Y437 V438 G443 I461 V479 | I407-L445 PolarHBondContact N-O 3.33Å; Q408-L445 WeakPolarHBondContact O-CB 3.47Å; Q408-L445 PolarHBondContact O-N 2.75Å; I410-L445 HydrophobicContact CD1-CB 4.22Å; I410-L445 HydrophobicContact CD1-CD2 4.34Å; I426-L445 HydrophobicContact CD1-CD1 3.92Å; F436-L445 HydrophobicContact CB-CD1 3.98Å; Y437-L445 CarbonylContact O-C 3.52Å; V438-L445 HydrophobicContact CB-CD1 4.44Å; G443-L445 PolarHBondContact O-N 2.71Å; L445-I461 HydrophobicContact CD1-CD1 3.81Å; L445-I461 HydrophobicContact CD2-CD1 3.92Å; L445-V479 HydrophobicContact CD2-CG1 4.04Å |
| 446 | M | 94.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152.7 | -172.9 | -54.1 | 172.8 | 76.4 | 0 | 0 | 111.2 | G404 T405 F436 Y437 | G404-M446 WeakPolarHBondContact O-CE 3.28Å; T405-M446 WeakPolarHBondContact O-CA 3.21Å; T405-M446 WeakPolarHBondContact O-CB 3.36Å; F436-M446 CarbonylContact C-O 3.49Å; F436-M446 WeakPolarHBondContact CA-O 3.46Å; Y437-M446 HydrophobicContact CD1-SD 4.23Å; Y437-M446 PolarHBondContact N-O 3.37Å; Y437-M446 PolarHBondContact O-N 2.85Å |
| 447 | T | 95.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.2 | 170.5 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | V401 E402 I403 G404 T405 I407 L451 | V401-T447 HydrophobicContact CG1-CG2 3.8Å; E402-T447 PolarHBondContact O-OG1 2.86Å; I403-T447 WeakPolarHBondContact CA-OG1 3.36Å; G404-T447 WeakPolarHBondContact CA-O 3.39Å; G404-T447 PolarHBondContact N-O 3.07Å; G404-T447 PolarHBondContact N-OG1 2.9Å; G404-T447 VanDerWaalsContact N-OG1 3.16Å; T405-T447 PolarHBondContact N-OG1 2.91Å; T405-T447 PolarHBondContact O-N 3Å; T405-T447 PolarHBondContact OG1-OG1 2.84Å; T405-T447 VanDerWaalsContact OG1-OG1 3.12Å; I407-T447 HydrophobicContact CD1-CG2 3.53Å; I407-T447 HydrophobicContact CG1-CG2 4.02Å; T447-L451 HydrophobicContact CG2-CD1 4.28Å |
| 448 | A | 93.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | trans | -108.2 | -22.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | F435 | F435-A448 PolarHBondContact O-N 2.94Š| ||
| 449 | R | 93.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 50% | 0.498 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -136.1 | 159.5 | 176.2 | -72.2 | -177.4 | 162.7 | -170.9 | -10.7 | 110 | G433 F435 | G433-R449 WeakPolarHBondContact O-CD 3.37Å; G433-R449 PolarHBondContact O-NH1 2.89Å; F435-R449 HydrophobicContact CD1-CB 3.91Å; F435-R449 HydrophobicContact CE1-CB 4.5Å; F435-R449 PolarHBondContact O-N 3.48Å |
| 450 | P | 92.6 | Very high | 92.9 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | trans | -58.7 | 141.2 | 170.7 | 27.1 | -35.1 | 0 | 0 | 0 | 109.8 | ||||
| 451 | L | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | trans | -95 | 147.4 | 172.8 | -58.3 | 177.4 | 0 | 0 | 0 | 107.7 | V397 E399 V401 F435 F436 T447 V483 | V397-L451 HydrophobicContact CB-CD1 4.48Å; V397-L451 HydrophobicContact CG1-CD1 4.2Å; E399-L451 HydrophobicContact CB-CB 4.5Å; V401-L451 HydrophobicContact CG1-CD1 4.1Å; F435-L451 HydrophobicContact CB-CD2 4.05Å; F435-L451 HydrophobicContact CD1-CD2 4.07Å; F435-L451 HydrophobicContact CG-CD2 4.37Å; F436-L451 HydrophobicContact CE1-CD1 4.32Å; F436-L451 HydrophobicContact CE1-CD2 4.23Å; F436-L451 HydrophobicContact CZ-CD1 4.44Å; F436-L451 HydrophobicContact CZ-CD2 3.88Å; T447-L451 HydrophobicContact CG2-CD1 4.28Å; L451-V483 HydrophobicContact CB-CG1 4.28Å; L451-V483 HydrophobicContact CD1-CG2 4.47Å | ||
| 452 | D | 93.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | trans | -139.9 | 111.8 | 179.7 | 176.3 | -20.1 | 0 | 0 | 0 | 105.9 | E454 D455 V456 | D452-E454 VanDerWaalsContact C-N 3.33Å; D452-E454 WeakPolarHBondContact OD1-CB 3.45Å; D452-E454 PolarHBondContact OD1-N 3.32Å; D452-E454 VanDerWaalsContact OD1-N 3.08Å; D452-D455 HydrophobicContact CB-CB 4.33Å; D452-D455 PolarHBondContact OD1-N 2.68Å; D452-D455 VanDerWaalsContact OD1-N 3.17Å; D452-V456 PolarHBondContact O-N 3.45Å | ||
| 453 | R | 93.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -31.5 | -172.8 | -174.5 | -110.3 | 167.3 | 153.6 | -6.3 | 111 | E399 D455 V456 S457 V483 D485 D521 | E399-R453 HydrophobicContact CB-CB 4.43Å; E399-R453 WeakPolarHBondContact OE2-CB 3.49Å; E399-R453 PolarHBondContact OE2-N 2.76Å; R453-D455 VanDerWaalsContact C-N 3.3Å; R453-V456 CarbonylContact O-C 3.56Å; R453-S457 PolarHBondContact O-N 2.78Å; R453-V483 HydrophobicContact CB-CB 4.24Å; R453-V483 HydrophobicContact CB-CG1 3.78Å; R453-V483 HydrophobicContact CG-CB 4.23Å; R453-V483 HydrophobicContact CG-CG1 4.23Å; R453-D485 IonicContact CZ-OD1 3.72Å; R453-D485 IonicContact NH1-OD1 3.87Å; R453-D485 PolarHBondContact NH1-OD1 3.22Å; R453-D485 IonicContact NH1-OD2 3.83Å; R453-D521 IonicContact CZ-OD2 3.48Å; R453-D521 VanDerWaalsContact NH1-CA 3.31Å; R453-D521 PolarHBondContact NH1-O 2.83Å; R453-D521 IonicContact NH1-OD2 2.71Å; R453-D521 IonicContact NH2-OD2 3.48Å; R453-D521 PolarHBondContact NH2-OD2 3.34Å |
| 454 | E | 92.4 | Very high | 93.8 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28 | 178.6 | -74.4 | 56.7 | -115.3 | 0 | 0 | 111.9 | D452 R519 | D452-E454 VanDerWaalsContact C-N 3.33Å; D452-E454 WeakPolarHBondContact OD1-CB 3.45Å; D452-E454 PolarHBondContact OD1-N 3.32Å; D452-E454 VanDerWaalsContact OD1-N 3.08Å; E454-R519 HydrophobicContact CG-CB 3.73Å |
| 455 | D | 91.2 | Very high | 93.7 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 66% | 0.658 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -57.3 | 169.6 | -166.4 | 29.2 | 0 | 0 | 0 | 111.4 | D452 R453 | D452-D455 HydrophobicContact CB-CB 4.33Å; D452-D455 PolarHBondContact OD1-N 2.68Å; D452-D455 VanDerWaalsContact OD1-N 3.17Å; R453-D455 VanDerWaalsContact C-N 3.3Å |
| 456 | V | 91.3 | Very high | 93.5 | Very high | 50 Ų | 50 | 52 Ų | 52 | 30% | 0.303 | 27% | 0.269 | S | S | . | . | trans | -139.2 | 101.5 | -176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | D452 R453 W458 | D452-V456 PolarHBondContact O-N 3.45Å; R453-V456 CarbonylContact O-C 3.56Å; V456-W458 VanDerWaalsContact CG1-O 3.32Å; V456-W458 WeakPolarHBondContact CG1-O 3.09Å; V456-W458 PolarHBondContact O-N 2.96Å | ||
| 457 | S | 91.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 50.6 Ų | 50.6 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -75.7 | -17.7 | 179.6 | 50.2 | 0 | 0 | 0 | 0 | 115.4 | R453 V483 | R453-S457 PolarHBondContact O-N 2.78Å; S457-V483 PolarHBondContact O-N 3.05Å |
| 458 | W | 94.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 48% | 0.481 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 124.7 | -178.4 | -64.8 | 81.1 | 0 | 0 | 0 | 111.4 | F394 V456 T480 K482 | F394-W458 HydrophobicContact CE2-CH2 4.17Å; F394-W458 AromaticContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CE2-CZ3 3.66Å; F394-W458 HydrophobicContact CZ-CZ3 4.4Å; V456-W458 VanDerWaalsContact CG1-O 3.32Å; V456-W458 WeakPolarHBondContact CG1-O 3.09Å; V456-W458 PolarHBondContact O-N 2.96Å; W458-T480 HydrophobicContact CE3-CG2 3.6Å; W458-T480 HydrophobicContact CZ3-CG2 3.82Å; W458-K482 HydrophobicContact CD2-CB 4.35Å; W458-K482 HydrophobicContact CD2-CG 4.27Å; W458-K482 HydrophobicContact CE3-CB 3.97Å; W458-K482 HydrophobicContact CE3-CG 4.3Å; W458-K482 HydrophobicContact CH2-CB 4.09Å; W458-K482 HydrophobicContact CH2-CD 3.59Å; W458-K482 HydrophobicContact CH2-CG 3.87Å; W458-K482 HydrophobicContact CZ2-CB 4.41Å; W458-K482 HydrophobicContact CZ2-CD 3.69Å; W458-K482 HydrophobicContact CZ2-CG 3.78Å; W458-K482 HydrophobicContact CZ3-CB 3.88Å; W458-K482 HydrophobicContact CZ3-CD 4.23Å; W458-K482 HydrophobicContact CZ3-CG 4.15Å |
| 459 | H | 94 | Very high | 91.6 | Very high | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.4 | 171.8 | -62.6 | -91.8 | 0 | 0 | 0 | 110.3 | F435 F436 I461 V481 | F435-H459 AromaticContact CD2-CE1 3.78Å; F436-H459 HydrophobicContact CE2-CB 3.55Å; F436-H459 AromaticContact CE2-CG 3.58Å; F436-H459 AromaticContact CE2-ND1 3.89Å; F436-H459 HydrophobicContact CZ-CB 3.94Å; F436-H459 AromaticContact CZ-CD2 3.93Å; F436-H459 AromaticContact CZ-CG 3.89Å; H459-I461 HydrophobicContact CB-CG2 4.5Å; H459-V481 HydrophobicContact CB-CB 4.27Å; H459-V481 PolarHBondContact N-O 2.81Å; H459-V481 PolarHBondContact O-N 2.87Å |
| 460 | N | 95.1 | Very high | 90.9 | Very high | 105 Ų | 105 | 54 Ų | 54 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 100.8 | 172.5 | -70.2 | -37.4 | 0 | 0 | 0 | 108.5 | T480 | N460-T480 WeakPolarHBondContact OD1-CB 3.48Å; N460-T480 WeakPolarHBondContact OD1-CG2 3.45Å; N460-T480 PolarHBondContact OD1-OG1 2.91Å |
| 461 | I | 95.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 151.7 | 179.4 | 68.2 | 178.4 | 0 | 0 | 0 | 109.9 | I426 D431 F436 L445 H459 V463 V479 | I426-I461 HydrophobicContact CG2-CB 4.45Å; D431-I461 HydrophobicContact CB-CG2 4Å; F436-I461 HydrophobicContact CB-CD1 4.17Å; F436-I461 HydrophobicContact CD2-CD1 4.16Å; F436-I461 HydrophobicContact CD2-CG2 3.82Å; F436-I461 HydrophobicContact CE2-CG2 4.18Å; F436-I461 HydrophobicContact CG-CD1 4.11Å; L445-I461 HydrophobicContact CD1-CD1 3.81Å; L445-I461 HydrophobicContact CD2-CD1 3.92Å; H459-I461 HydrophobicContact CB-CG2 4.5Å; I461-V463 HydrophobicContact CD1-CG2 4.5Å; I461-V479 HydrophobicContact CD1-CB 4.27Å; I461-V479 HydrophobicContact CD1-CG1 4.49Å; I461-V479 HydrophobicContact CG1-CB 3.72Å; I461-V479 HydrophobicContact CG1-CG1 4.35Å; I461-V479 HydrophobicContact CG1-CG2 4.48Å; I461-V479 WeakPolarHBondContact CG1-O 3.37Å; I461-V479 PolarHBondContact N-O 3.35Å; I461-V479 PolarHBondContact O-N 2.84Å |
| 462 | T | 95.7 | Very high | 89.8 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126 | 173.6 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | D427 S430 V477 | D427-T462 WeakPolarHBondContact CB-OG1 3.44Å; D427-T462 PolarHBondContact N-O 3.02Å; S430-T462 WeakPolarHBondContact CB-OG1 3.24Å; S430-T462 PolarHBondContact OG-N 3.12Å; S430-T462 PolarHBondContact OG-OG1 2.86Å; S430-T462 VanDerWaalsContact OG-OG1 3.1Å; T462-V477 CarbonylContact C-O 3.46Å; T462-V477 WeakPolarHBondContact CA-O 3.47Å |
| 463 | V | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 130.9 | -180 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | I410 S425 I426 I461 S476 V477 V479 | I410-V463 HydrophobicContact CD1-CB 4.1Å; I410-V463 HydrophobicContact CD1-CG1 4.09Å; I410-V463 HydrophobicContact CD1-CG2 3.61Å; I410-V463 HydrophobicContact CG2-CG1 4.39Å; S425-V463 CarbonylContact O-C 3.59Å; S425-V463 WeakPolarHBondContact O-CA 3.21Å; I426-V463 HydrophobicContact CG1-CG2 4.32Å; I461-V463 HydrophobicContact CD1-CG2 4.5Å; V463-S476 CarbonylContact O-C 3.56Å; V463-S476 WeakPolarHBondContact O-CA 3.42Å; V463-V477 HydrophobicContact CB-CG1 3.98Å; V463-V477 PolarHBondContact N-O 2.77Å; V463-V477 PolarHBondContact O-N 2.87Å; V463-V479 HydrophobicContact CB-CG2 4.45Å; V463-V479 HydrophobicContact CG2-CG2 3.79Å |
| 464 | L | 94.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 58 Ų | 58 | 20% | 0.204 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 136.6 | -177.8 | -52.9 | 178.6 | 0 | 0 | 0 | 109.5 | Y424 S425 D427 V474 G475 | Y424-L464 CarbonylContact C-O 3.37Å; Y424-L464 WeakPolarHBondContact CA-O 3.47Å; S425-L464 PolarHBondContact N-O 2.99Å; S425-L464 PolarHBondContact O-N 3.07Å; D427-L464 HydrophobicContact CB-CD1 4.23Å; D427-L464 HydrophobicContact CB-CG 4.4Å; L464-V474 HydrophobicContact CB-CG1 3.95Å; L464-V474 HydrophobicContact CD1-CG1 4.44Å; L464-V474 HydrophobicContact CD2-CG1 4.11Å; L464-V474 HydrophobicContact CG-CG1 4.39Å; L464-G475 CarbonylContact C-O 3.33Å; L464-G475 VanDerWaalsContact CA-O 3.26Å; L464-G475 WeakPolarHBondContact CA-O 3.47Å |
| 465 | A | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | P386 F388 A412 I422 R423 Y424 V474 G475 | P386-A465 HydrophobicContact CB-CB 3.97Å; F388-A465 HydrophobicContact CE1-CB 4.03Å; F388-A465 HydrophobicContact CE2-CB 3.67Å; F388-A465 HydrophobicContact CZ-CB 3.29Å; A412-A465 HydrophobicContact CB-CB 3.62Å; I422-A465 HydrophobicContact CG2-CB 3.74Å; R423-A465 WeakPolarHBondContact O-CA 3.34Å; Y424-A465 HydrophobicContact CD1-CB 4.16Å; Y424-A465 HydrophobicContact CE1-CB 4.09Å; A465-V474 CarbonylContact O-C 3.52Å; A465-V474 WeakPolarHBondContact O-CA 3.44Å; A465-G475 PolarHBondContact N-O 2.89Å; A465-G475 PolarHBondContact O-N 2.97Å |
| 466 | M | 90.1 | Very high | 89.5 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 148.3 | 179.5 | 62 | -171.2 | 67.2 | 0 | 0 | 110.3 | R423 V474 | R423-M466 HydrophobicContact CB-CG 4.04Å; R423-M466 PolarHBondContact N-O 3.11Å; R423-M466 PolarHBondContact O-N 2.78Å; M466-V474 HydrophobicContact CB-CG2 4.4Å |
| 467 | E | 87.1 | Confident | 89.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 149.8 | 178.3 | -153.5 | -128 | 167.1 | 0 | 0 | 111 | N469 N470 | E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.21Å; E467-N469 PolarHBondContact OE1-ND2 3.16Å; E467-N469 WeakPolarHBondContact OE2-CB 3.46Å; E467-N469 PolarHBondContact OE2-N 3.38Å; E467-N470 WeakPolarHBondContact OE2-CB 3.37Å; E467-N470 PolarHBondContact OE2-N 2.97Å |
| 468 | L | 79 | Confident | 89.9 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -63.6 | -38 | -178.5 | 177.4 | 65 | 0 | 0 | 0 | 112.3 | S421 | S421-L468 VanDerWaalsContact O-CB 3.25Å; S421-L468 WeakPolarHBondContact O-CB 3.29Å; S421-L468 PolarHBondContact O-N 3.16Å |
| 469 | N | 78.2 | Confident | 90 | Very high | 123 Ų | 123 | 46.6 Ų | 46.6 | 66% | 0.658 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -95.4 | -30.2 | -171.9 | -50.4 | -51.8 | 0 | 0 | 0 | 111.3 | E467 P471 | E467-N469 VanDerWaalsContact C-N 3.3Å; E467-N469 PolarHBondContact O-N 3.21Å; E467-N469 PolarHBondContact OE1-ND2 3.16Å; E467-N469 WeakPolarHBondContact OE2-CB 3.46Å; E467-N469 PolarHBondContact OE2-N 3.38Å; N469-P471 WeakPolarHBondContact O-CD 3.19Å |
| 470 | N | 78.8 | Confident | 90 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | trans | -119 | 86.9 | 175.4 | -163.7 | -5.1 | 0 | 0 | 0 | 113.4 | D383 E467 S472 Q473 | D383-N470 PolarHBondContact OD2-ND2 2.96Å; E467-N470 WeakPolarHBondContact OE2-CB 3.37Å; E467-N470 PolarHBondContact OE2-N 2.97Å; N470-S472 PolarHBondContact O-N 2.74Å; N470-S472 VanDerWaalsContact O-N 3.12Å; N470-S472 WeakPolarHBondContact OD1-CB 3.37Å; N470-S472 PolarHBondContact OD1-N 3.23Å; N470-S472 PolarHBondContact OD1-OG 3.24Å; N470-Q473 PolarHBondContact O-N 2.96Å | ||
| 471 | P | 79.6 | Confident | 90.1 | Very high | 88 Ų | 88 | 42.4 Ų | 42.4 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -1.5 | 179.5 | 31.6 | -36.4 | 0 | 0 | 0 | 113.9 | N469 | N469-P471 WeakPolarHBondContact O-CD 3.19Š|
| 472 | S | 84.1 | Confident | 90.1 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 63% | 0.629 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -25.1 | 178.1 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | N470 | N470-S472 PolarHBondContact O-N 2.74Å; N470-S472 VanDerWaalsContact O-N 3.12Å; N470-S472 WeakPolarHBondContact OD1-CB 3.37Å; N470-S472 PolarHBondContact OD1-N 3.23Å; N470-S472 PolarHBondContact OD1-OG 3.24Å |
| 473 | Q | 86.1 | Confident | 90 | Very high | 59 Ų | 59 | 43 Ų | 43 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | trans | -90.6 | 113.2 | 177.1 | -69 | -67.9 | 7.2 | 0 | 0 | 109.6 | D383 P385 N470 | D383-Q473 PolarHBondContact O-NE2 3.15Å; P385-Q473 HydrophobicContact CB-CB 4.06Å; N470-Q473 PolarHBondContact O-N 2.96Å | ||
| 474 | V | 90.5 | Very high | 89.9 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 115.5 | -173.8 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | L464 A465 M466 | L464-V474 HydrophobicContact CB-CG1 3.95Å; L464-V474 HydrophobicContact CD1-CG1 4.44Å; L464-V474 HydrophobicContact CD2-CG1 4.11Å; L464-V474 HydrophobicContact CG-CG1 4.39Å; A465-V474 CarbonylContact O-C 3.52Å; A465-V474 WeakPolarHBondContact O-CA 3.44Å; M466-V474 HydrophobicContact CB-CG2 4.4Å |
| 475 | G | 92.4 | Very high | 89.8 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 147.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P386 L464 A465 | P386-G475 VanDerWaalsContact O-CA 3.29Å; P386-G475 WeakPolarHBondContact O-CA 3.36Å; L464-G475 CarbonylContact C-O 3.33Å; L464-G475 VanDerWaalsContact CA-O 3.26Å; L464-G475 WeakPolarHBondContact CA-O 3.47Å; A465-G475 PolarHBondContact N-O 2.89Å; A465-G475 PolarHBondContact O-N 2.97Å |
| 476 | S | 94.3 | Very high | 89.7 | Confident | 86 Ų | 86 | 47 Ų | 47 | 60% | 0.601 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.1 | 174 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | V463 | V463-S476 CarbonylContact O-C 3.56Å; V463-S476 WeakPolarHBondContact O-CA 3.42Å |
| 477 | V | 95.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.7 | 175.4 | 67 | 0 | 0 | 0 | 0 | 110.9 | F388 S391 Y393 I410 T462 V463 V479 | F388-V477 HydrophobicContact CB-CB 3.99Å; F388-V477 HydrophobicContact CB-CG1 4.41Å; F388-V477 HydrophobicContact CB-CG2 4.18Å; F388-V477 HydrophobicContact CD1-CB 4.07Å; F388-V477 HydrophobicContact CD1-CG1 3.57Å; F388-V477 HydrophobicContact CD2-CB 3.61Å; F388-V477 HydrophobicContact CD2-CG1 3.85Å; F388-V477 HydrophobicContact CE1-CB 4.42Å; F388-V477 HydrophobicContact CE1-CG1 3.59Å; F388-V477 HydrophobicContact CE2-CB 3.99Å; F388-V477 HydrophobicContact CE2-CG1 3.85Å; F388-V477 HydrophobicContact CG-CB 3.63Å; F388-V477 HydrophobicContact CG-CG1 3.69Å; F388-V477 HydrophobicContact CG-CG2 4.32Å; F388-V477 HydrophobicContact CZ-CB 4.36Å; F388-V477 HydrophobicContact CZ-CG1 3.71Å; S391-V477 WeakPolarHBondContact O-CG2 3.46Å; Y393-V477 HydrophobicContact CD2-CG1 4.37Å; Y393-V477 HydrophobicContact CD2-CG2 3.8Å; Y393-V477 HydrophobicContact CE2-CG1 4.33Å; Y393-V477 HydrophobicContact CE2-CG2 3.98Å; I410-V477 HydrophobicContact CG2-CG1 4.04Å; T462-V477 CarbonylContact C-O 3.46Å; T462-V477 WeakPolarHBondContact CA-O 3.47Å; V463-V477 HydrophobicContact CB-CG1 3.98Å; V463-V477 PolarHBondContact N-O 2.77Å; V463-V477 PolarHBondContact O-N 2.87Å; V477-V479 HydrophobicContact CG1-CG2 4.46Å |
| 478 | S | 94.8 | Very high | 89.9 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.9 | 173.5 | 59.8 | 0 | 0 | 0 | 0 | 111 | Y393 | Y393-S478 PolarHBondContact N-O 3.44Å; Y393-S478 VanDerWaalsContact N-O 3.13Å |
| 479 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.6 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | Y393 V395 I410 L445 I461 V463 V477 V481 | Y393-V479 HydrophobicContact CD2-CG2 4.37Å; Y393-V479 WeakPolarHBondContact O-CA 3.18Å; V395-V479 HydrophobicContact CG2-CG1 4.37Å; I410-V479 HydrophobicContact CD1-CG2 3.68Å; L445-V479 HydrophobicContact CD2-CG1 4.04Å; I461-V479 HydrophobicContact CD1-CB 4.27Å; I461-V479 HydrophobicContact CD1-CG1 4.49Å; I461-V479 HydrophobicContact CG1-CB 3.72Å; I461-V479 HydrophobicContact CG1-CG1 4.35Å; I461-V479 HydrophobicContact CG1-CG2 4.48Å; I461-V479 WeakPolarHBondContact CG1-O 3.37Å; I461-V479 PolarHBondContact N-O 3.35Å; I461-V479 PolarHBondContact O-N 2.84Å; V463-V479 HydrophobicContact CB-CG2 4.45Å; V463-V479 HydrophobicContact CG2-CG2 3.79Å; V477-V479 HydrophobicContact CG1-CG2 4.46Å; V479-V481 HydrophobicContact CG1-CG2 4.22Å |
| 480 | T | 95.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 117.5 | 175 | -64.7 | 0 | 0 | 0 | 0 | 108.8 | Y393 F394 V395 W458 N460 | Y393-T480 PolarHBondContact O-N 3.22Å; F394-T480 WeakPolarHBondContact CA-O 3.39Å; F394-T480 HydrophobicContact CD2-CG2 4.05Å; F394-T480 HydrophobicContact CE2-CG2 4.25Å; V395-T480 PolarHBondContact N-O 2.71Å; W458-T480 HydrophobicContact CE3-CG2 3.6Å; W458-T480 HydrophobicContact CZ3-CG2 3.82Å; N460-T480 WeakPolarHBondContact OD1-CB 3.48Å; N460-T480 WeakPolarHBondContact OD1-CG2 3.45Å; N460-T480 PolarHBondContact OD1-OG1 2.91Å |
| 481 | V | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.3 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | V395 V397 F436 H459 V479 | V395-V481 CarbonylContact O-C 3.59Å; V395-V481 WeakPolarHBondContact O-CA 3.26Å; V397-V481 HydrophobicContact CB-CG1 4.33Å; V397-V481 HydrophobicContact CG2-CG1 3.64Å; F436-V481 HydrophobicContact CE1-CB 4.39Å; F436-V481 HydrophobicContact CE1-CG1 4.03Å; F436-V481 HydrophobicContact CE1-CG2 4.14Å; F436-V481 HydrophobicContact CZ-CB 4.04Å; F436-V481 HydrophobicContact CZ-CG1 3.96Å; F436-V481 HydrophobicContact CZ-CG2 4.09Å; H459-V481 HydrophobicContact CB-CB 4.27Å; H459-V481 PolarHBondContact N-O 2.81Å; H459-V481 PolarHBondContact O-N 2.87Å; V479-V481 HydrophobicContact CG1-CG2 4.22Å |
| 482 | K | 95.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 42 Ų | 42 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.5 | 173.1 | 178.9 | -174.3 | 169.7 | -163 | 0 | 108.7 | F394 V395 E396 V397 W458 | F394-K482 HydrophobicContact CE2-CB 4Å; F394-K482 HydrophobicContact CZ-CB 4.01Å; F394-K482 HydrophobicContact CZ-CD 3.98Å; V395-K482 PolarHBondContact O-N 3.31Å; E396-K482 WeakPolarHBondContact CA-O 3.36Å; E396-K482 HydrophobicContact CG-CB 4.32Å; E396-K482 HydrophobicContact CG-CD 4.22Å; E396-K482 WeakPolarHBondContact OE1-CD 3.47Å; E396-K482 IonicContact OE1-NZ 2.75Å; E396-K482 PolarHBondContact OE1-NZ 3.04Å; V397-K482 PolarHBondContact N-O 2.93Å; W458-K482 HydrophobicContact CD2-CB 4.35Å; W458-K482 HydrophobicContact CD2-CG 4.27Å; W458-K482 HydrophobicContact CE3-CB 3.97Å; W458-K482 HydrophobicContact CE3-CG 4.3Å; W458-K482 HydrophobicContact CH2-CB 4.09Å; W458-K482 HydrophobicContact CH2-CD 3.59Å; W458-K482 HydrophobicContact CH2-CG 3.87Å; W458-K482 HydrophobicContact CZ2-CB 4.41Å; W458-K482 HydrophobicContact CZ2-CD 3.69Å; W458-K482 HydrophobicContact CZ2-CG 3.78Å; W458-K482 HydrophobicContact CZ3-CB 3.88Å; W458-K482 HydrophobicContact CZ3-CD 4.23Å; W458-K482 HydrophobicContact CZ3-CG 4.15Å |
| 483 | V | 94.7 | Very high | 93 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.8 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 108.4 | V397 E399 L451 R453 S457 | V397-V483 CarbonylContact O-C 3.57Å; V397-V483 VanDerWaalsContact O-CA 3.26Å; V397-V483 WeakPolarHBondContact O-CA 3.25Å; E399-V483 HydrophobicContact CB-CG1 3.65Å; L451-V483 HydrophobicContact CB-CG1 4.28Å; L451-V483 HydrophobicContact CD1-CG2 4.47Å; R453-V483 HydrophobicContact CB-CB 4.24Å; R453-V483 HydrophobicContact CB-CG1 3.78Å; R453-V483 HydrophobicContact CG-CB 4.23Å; R453-V483 HydrophobicContact CG-CG1 4.23Å; S457-V483 PolarHBondContact O-N 3.05Å |
| 484 | L | 92.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.8 | 175.8 | -57.2 | 176.5 | 0 | 0 | 0 | 109.1 | E396 V397 P398 E399 | E396-L484 HydrophobicContact CB-CD1 4.04Å; E396-L484 HydrophobicContact CB-CD2 4.13Å; E396-L484 HydrophobicContact CB-CG 4.09Å; V397-L484 PolarHBondContact O-N 2.75Å; P398-L484 WeakPolarHBondContact CA-O 3.13Å; P398-L484 HydrophobicContact CB-CB 4.46Å; E399-L484 PolarHBondContact N-O 3.37Å; E399-L484 VanDerWaalsContact N-O 3.14Å |
| 485 | D | 91.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 131.7 | 175.7 | -167.5 | 65.2 | 0 | 0 | 0 | 112.5 | R453 D521 P522 | R453-D485 IonicContact CZ-OD1 3.72Å; R453-D485 IonicContact NH1-OD1 3.87Å; R453-D485 PolarHBondContact NH1-OD1 3.22Å; R453-D485 IonicContact NH1-OD2 3.83Å; D485-D521 PolarHBondContact OD1-N 2.98Å; D485-D521 VanDerWaalsContact OD1-N 3.1Å; D485-D521 VanDerWaalsContact OD2-C 3.23Å; D485-D521 PolarHBondContact OD2-N 3.06Å; D485-P522 WeakPolarHBondContact OD2-CA 3.37Å |
| 486 | V | 91.8 | Very high | 93 | Very high | 32 Ų | 32 | 50 Ų | 50 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | trans | -130.4 | 131.4 | 169.7 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | P398 E399 D400 D488 | P398-V486 HydrophobicContact CB-CG2 3.88Å; E399-V486 HydrophobicContact CG-CB 3.9Å; E399-V486 HydrophobicContact CG-CG2 4.1Å; E399-V486 PolarHBondContact OE1-N 3.19Å; E399-V486 VanDerWaalsContact OE1-O 3.08Å; D400-V486 HydrophobicContact CB-CB 4.37Å; D400-V486 HydrophobicContact CB-CG1 4.07Å; D400-V486 HydrophobicContact CB-CG2 4.18Å; V486-D488 PolarHBondContact O-N 3.16Å | ||
| 487 | N | 91.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | trans | -68.4 | 93.4 | -173.5 | -166.7 | 99.1 | 0 | 0 | 0 | 112.4 | D520 D577 G579 P581 L583 | N487-D520 VanDerWaalsContact CA-OD2 3.23Å; N487-D520 WeakPolarHBondContact CA-OD2 3.36Å; N487-D520 PolarHBondContact OD1-OD2 3.32Å; N487-D577 PolarHBondContact ND2-OD2 3.44Å; N487-G579 WeakPolarHBondContact OD1-CA 3.21Å; N487-P581 PolarHBondContact ND2-O 2.88Å; N487-L583 WeakPolarHBondContact O-CD1 3.32Å | ||
| 488 | D | 90.8 | Very high | 92.5 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | trans | -120.4 | -10.6 | -178.6 | 85.6 | -24.7 | 0 | 0 | 0 | 113.3 | V486 D520 L583 | V486-D488 PolarHBondContact O-N 3.16Å; D488-D520 PolarHBondContact N-OD2 3.13Å; D488-L583 VanDerWaalsContact C-CD1 3.42Å; D488-L583 WeakPolarHBondContact O-CD1 2.9Å | ||
| 489 | N | 91.6 | Very high | 92.1 | Very high | 45 Ų | 45 | 47.3 Ų | 47.3 | 24% | 0.241 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -97.9 | 144.8 | 170.5 | -63.6 | -84.2 | 0 | 0 | 0 | 111.1 | D518 R519 D520 L583 | N489-D518 WeakPolarHBondContact CB-OD1 3.45Å; N489-R519 HydrophobicContact CB-CB 4.29Å; N489-D520 VanDerWaalsContact CB-OD1 3.23Å; N489-D520 WeakPolarHBondContact CB-OD1 2.99Å; N489-D520 PolarHBondContact N-OD1 3.22Å; N489-D520 PolarHBondContact N-OD2 2.85Å; N489-D520 PolarHBondContact ND2-OD1 2.85Å; N489-L583 WeakPolarHBondContact O-CD1 3.22Å |
| 490 | A | 92 | Very high | 91.8 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 33% | 0.331 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 143.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E492 L583 | A490-E492 PolarHBondContact O-N 2.76Å; A490-L583 HydrophobicContact CB-CB 3.91Å |
| 491 | P | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 131 | -176 | 25.8 | -34.7 | 0 | 0 | 0 | 110.5 | A516 D518 F528 I575 D577 S585 | P491-A516 HydrophobicContact CB-CB 4.38Å; P491-D518 WeakPolarHBondContact CA-OD2 3.23Å; P491-D518 HydrophobicContact CB-CB 4.37Å; P491-D518 WeakPolarHBondContact CB-OD2 3.39Å; P491-D518 VanDerWaalsContact CD-OD2 3.3Å; P491-D518 WeakPolarHBondContact CD-OD2 3.36Å; P491-D518 VanDerWaalsContact N-OD2 3.16Å; P491-F528 HydrophobicContact CB-CD1 3.65Å; P491-F528 HydrophobicContact CB-CE1 3.55Å; P491-F528 HydrophobicContact CB-CZ 4.35Å; P491-F528 HydrophobicContact CG-CD1 4.15Å; P491-F528 HydrophobicContact CG-CE1 4.38Å; P491-I575 HydrophobicContact CB-CG2 3.91Å; P491-I575 HydrophobicContact CG-CB 4.37Å; P491-I575 HydrophobicContact CG-CG2 3.83Å; P491-D577 HydrophobicContact CG-CB 4.06Å; P491-S585 VanDerWaalsContact O-CB 3.31Å; P491-S585 WeakPolarHBondContact O-CB 3.35Å; P491-S585 PolarHBondContact O-OG 3.08Å |
| 492 | E | 92.4 | Very high | 90.9 | Very high | 97 Ų | 97 | 50.7 Ų | 50.7 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 163.9 | 178.8 | 64.9 | 177.7 | 177 | 0 | 0 | 111.6 | A490 A494 A516 I517 | A490-E492 PolarHBondContact O-N 2.76Å; E492-A494 PolarHBondContact O-N 3.12Å; E492-A516 CarbonylContact O-C 3.53Å; E492-A516 WeakPolarHBondContact O-CA 3.48Å; E492-A516 VanDerWaalsContact O-CB 3.26Å; E492-A516 WeakPolarHBondContact O-CB 3.36Å; E492-I517 HydrophobicContact CG-CG2 3.85Å; E492-I517 PolarHBondContact N-O 2.89Å; E492-I517 PolarHBondContact O-N 2.91Å |
| 493 | F | 92.9 | Very high | 90.3 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 133.1 | 173.6 | -80.4 | -45.4 | 0 | 0 | 0 | 110.5 | R495 Y497 V514 I573 I575 | F493-R495 WeakPolarHBondContact CB-O 3.18Å; F493-R495 PolarHBondContact O-N 2.78Å; F493-Y497 HydrophobicContact CB-CD2 4.04Å; F493-Y497 HydrophobicContact CB-CE2 4.04Å; F493-Y497 AromaticContact CD1-CD2 3.78Å; F493-Y497 HydrophobicContact CD1-CD2 3.78Å; F493-Y497 AromaticContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD2-CD2 4.28Å; F493-Y497 HydrophobicContact CE1-CD2 4.27Å; F493-Y497 HydrophobicContact CE1-CE2 4.49Å; F493-Y497 AromaticContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CE2 4.07Å; F493-V514 HydrophobicContact CD1-CB 4.48Å; F493-V514 HydrophobicContact CE1-CB 3.9Å; F493-V514 HydrophobicContact CE1-CG1 4.35Å; F493-V514 HydrophobicContact CE1-CG2 4.11Å; F493-I573 HydrophobicContact CZ-CB 3.92Å; F493-I573 HydrophobicContact CZ-CD1 3.91Å; F493-I573 HydrophobicContact CZ-CG1 4.47Å; F493-I573 HydrophobicContact CZ-CG2 4.19Å; F493-I575 HydrophobicContact CD1-CD1 3.44Å; F493-I575 VanDerWaalsContact CD1-CD1 3.44Å; F493-I575 HydrophobicContact CE1-CD1 3.51Å; F493-I575 HydrophobicContact CE1-CG1 4.25Å; F493-I575 HydrophobicContact CG-CD1 3.97Å; F493-I575 HydrophobicContact CZ-CD1 4.14Å |
| 494 | A | 90.2 | Very high | 89.6 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -58.5 | -19.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E492 S515 I517 | E492-A494 PolarHBondContact O-N 3.12Å; A494-S515 PolarHBondContact N-O 2.98Å; A494-I517 HydrophobicContact CB-CB 4.32Å; A494-I517 HydrophobicContact CB-CG2 4.49Å |
| 495 | R | 91.3 | Very high | 89.2 | Confident | 166 Ų | 166 | 52.6 Ų | 52.6 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -161.9 | 167.6 | 175.2 | 55.1 | -177.5 | 151.7 | -167.7 | -6.9 | 110 | F493 Y497 | F493-R495 WeakPolarHBondContact CB-O 3.18Å; F493-R495 PolarHBondContact O-N 2.78Å; R495-Y497 HydrophobicContact CG-CD1 4.33Å; R495-Y497 HydrophobicContact CG-CD2 4.4Å; R495-Y497 HydrophobicContact CG-CE1 3.91Å; R495-Y497 HydrophobicContact CG-CE2 3.96Å; R495-Y497 WeakPolarHBondContact O-CD2 3.22Å; R495-Y497 WeakPolarHBondContact O-CE2 3.3Å; R495-Y497 PolarHBondContact O-N 2.97Å |
| 496 | F | 88.9 | Confident | 88.8 | Confident | 142 Ų | 142 | 58.3 Ų | 58.3 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | trans | -64.2 | 121.2 | 165.2 | -169.4 | -104.8 | 0 | 0 | 0 | 110 | E498 T590 | F496-E498 HydrophobicContact CD1-CG 3.78Å; F496-E498 HydrophobicContact CE1-CG 3.42Å; F496-E498 VanDerWaalsContact CE1-CG 3.42Å; F496-E498 WeakPolarHBondContact CE1-OE1 3.21Å; F496-E498 HydrophobicContact CZ-CG 4.46Å; F496-T590 HydrophobicContact CZ-CG2 4.13Å | ||
| 497 | Y | 89.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | trans | -100.5 | 126.3 | 178.7 | -73.5 | -76.7 | 0 | 0 | 0 | 110.6 | F493 R495 Q512 V514 S515 L589 T590 | F493-Y497 HydrophobicContact CB-CD2 4.04Å; F493-Y497 HydrophobicContact CB-CE2 4.04Å; F493-Y497 AromaticContact CD1-CD2 3.78Å; F493-Y497 HydrophobicContact CD1-CD2 3.78Å; F493-Y497 AromaticContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD1-CE2 3.79Å; F493-Y497 HydrophobicContact CD2-CD2 4.28Å; F493-Y497 HydrophobicContact CE1-CD2 4.27Å; F493-Y497 HydrophobicContact CE1-CE2 4.49Å; F493-Y497 AromaticContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CD2 3.81Å; F493-Y497 HydrophobicContact CG-CE2 4.07Å; R495-Y497 HydrophobicContact CG-CD1 4.33Å; R495-Y497 HydrophobicContact CG-CD2 4.4Å; R495-Y497 HydrophobicContact CG-CE1 3.91Å; R495-Y497 HydrophobicContact CG-CE2 3.96Å; R495-Y497 WeakPolarHBondContact O-CD2 3.22Å; R495-Y497 WeakPolarHBondContact O-CE2 3.3Å; R495-Y497 PolarHBondContact O-N 2.97Å; Y497-Q512 HydrophobicContact CD1-CG 4.31Å; Y497-V514 HydrophobicContact CD1-CG1 4.14Å; Y497-V514 HydrophobicContact CD2-CB 4.21Å; Y497-V514 HydrophobicContact CD2-CG1 4.03Å; Y497-V514 HydrophobicContact CE1-CG1 4.49Å; Y497-V514 HydrophobicContact CE2-CB 4.13Å; Y497-V514 HydrophobicContact CE2-CG1 4.41Å; Y497-V514 HydrophobicContact CG-CG1 3.91Å; Y497-S515 WeakPolarHBondContact CE2-O 3.45Å; Y497-S515 PolarHBondContact OH-N 3.24Å; Y497-S515 VanDerWaalsContact OH-N 3.08Å; Y497-S515 PolarHBondContact OH-O 3.01Å; Y497-S515 PolarHBondContact OH-OG 2.97Å; Y497-L589 VanDerWaalsContact CB-CD1 3.41Å; Y497-L589 WeakPolarHBondContact O-CD1 3.31Å; Y497-T590 PolarHBondContact O-OG1 2.92Å | ||
| 498 | E | 89.1 | Confident | 88.1 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.4 | 165.3 | -54.9 | -163.2 | 137.3 | 0 | 0 | 108.8 | F496 T590 | F496-E498 HydrophobicContact CD1-CG 3.78Å; F496-E498 HydrophobicContact CE1-CG 3.42Å; F496-E498 VanDerWaalsContact CE1-CG 3.42Å; F496-E498 WeakPolarHBondContact CE1-OE1 3.21Å; F496-E498 HydrophobicContact CZ-CG 4.46Å; E498-T590 WeakPolarHBondContact CA-O 3.41Å; E498-T590 WeakPolarHBondContact CG-OG1 3.26Å |
| 499 | A | 88.3 | Confident | 88 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I511 Q512 L589 T590 V591 H592 | A499-I511 HydrophobicContact CB-CG2 3.81Å; A499-Q512 HydrophobicContact CB-CB 3.74Å; A499-Q512 HydrophobicContact CB-CG 4.23Å; A499-L589 HydrophobicContact CB-CD1 4.11Å; A499-L589 HydrophobicContact CB-CD2 4.45Å; A499-L589 HydrophobicContact CB-CG 4.46Å; A499-T590 PolarHBondContact N-O 3.24Å; A499-V591 HydrophobicContact CB-CG1 4.32Å; A499-V591 HydrophobicContact CB-CG2 4.23Å; A499-V591 CarbonylContact O-C 3.56Å; A499-V591 VanDerWaalsContact O-CA 3.29Å; A499-V591 WeakPolarHBondContact O-CA 3.27Å; A499-H592 PolarHBondContact O-N 2.91Å |
| 500 | F | 87.5 | Confident | 87.8 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.8 | -178.5 | -58.5 | -79.6 | 0 | 0 | 0 | 110.6 | I511 H592 V602 C605 | F500-I511 VanDerWaalsContact O-CG2 3.3Å; F500-I511 WeakPolarHBondContact O-CG2 3.43Å; F500-H592 CarbonylContact C-O 3.57Å; F500-H592 WeakPolarHBondContact CA-O 3.11Å; F500-H592 HydrophobicContact CD1-CB 3.74Å; F500-H592 HydrophobicContact CE1-CB 3.98Å; F500-H592 AromaticContact CE1-CD2 3.91Å; F500-V602 HydrophobicContact CB-CG2 4.3Å; F500-C605 HydrophobicContact CD1-CB 4.47Å; F500-C605 WeakPolarHBondContact CD1-SG 3.21Å; F500-C605 HydrophobicContact CE1-CB 4.5Å |
| 501 | V | 88.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.7 | -178.4 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | A505 I511 F542 T556 F561 V591 H592 V593 C594 | V501-A505 HydrophobicContact CG1-CB 3.82Å; V501-I511 HydrophobicContact CG2-CB 4.25Å; V501-I511 HydrophobicContact CG2-CD1 3.36Å; V501-I511 HydrophobicContact CG2-CG1 3.75Å; V501-I511 HydrophobicContact CG2-CG2 3.46Å; V501-I511 VanDerWaalsContact CG2-CG2 3.46Å; V501-F542 HydrophobicContact CG2-CE1 4Å; V501-T556 HydrophobicContact CG1-CG2 4.19Å; V501-F561 HydrophobicContact CG1-CD1 4.37Å; V501-F561 HydrophobicContact CG1-CD2 3.64Å; V501-F561 HydrophobicContact CG1-CE2 3.85Å; V501-F561 HydrophobicContact CG1-CG 3.93Å; V501-F561 HydrophobicContact CG1-CZ 4.29Å; V501-V591 HydrophobicContact CB-CG1 4.23Å; V501-V591 HydrophobicContact CG2-CG1 3.31Å; V501-H592 PolarHBondContact N-O 2.74Å; V501-V593 CarbonylContact O-C 3.58Å; V501-V593 VanDerWaalsContact O-CA 3.31Å; V501-V593 WeakPolarHBondContact O-CA 3.12Å; V501-C594 PolarHBondContact O-N 3.49Å |
| 502 | C | 84.9 | Confident | 87.5 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 146 | 175.2 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | N504 A505 C594 C596 G600 | C502-N504 WeakPolarHBondContact CB-OD1 3.41Å; C502-N504 PolarHBondContact O-N 2.8Å; C502-A505 HydrophobicContact CB-CB 4.5Å; C502-A505 WeakPolarHBondContact O-CB 3.38Å; C502-A505 PolarHBondContact O-N 2.94Å; C502-C594 WeakPolarHBondContact CA-O 3.43Å; C502-C596 WeakPolarHBondContact CA-SG 3.39Å; C502-C596 HydrophobicContact CB-CB 3.58Å; C502-C596 WeakPolarHBondContact CB-SG 3.41Å; C502-C596 WeakPolarHBondContact SG-CB 3.15Å; C502-C596 CovalentContact SG-SG 2.02Å; C502-C596 PolarHBondContact SG-SG 2.9Å; C502-G600 PolarHBondContact SG-O 2.84Å |
| 503 | E | 82.6 | Confident | 87.5 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.2 | 174.1 | -68.2 | -167 | 131.8 | 0 | 0 | 112.9 | A505 F561 Q563 V593 C594 | E503-A505 VanDerWaalsContact C-N 3.28Å; E503-A505 PolarHBondContact O-N 3.44Å; E503-F561 WeakPolarHBondContact CA-O 3.39Å; E503-F561 WeakPolarHBondContact CB-O 3.44Å; E503-F561 WeakPolarHBondContact CG-O 3.27Å; E503-F561 PolarHBondContact O-N 3.02Å; E503-Q563 HydrophobicContact CG-CB 4.41Å; E503-Q563 WeakPolarHBondContact OE1-CB 3.17Å; E503-Q563 PolarHBondContact OE1-N 2.79Å; E503-V593 HydrophobicContact CG-CG1 3.94Å; E503-C594 PolarHBondContact N-O 3.04Å; E503-C594 VanDerWaalsContact N-O 3.1Å |
| 504 | N | 80.4 | Confident | 87.5 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 9.2 | 176.8 | 68 | -3.9 | 0 | 0 | 0 | 113.9 | C502 K506 D597 | C502-N504 WeakPolarHBondContact CB-OD1 3.41Å; C502-N504 PolarHBondContact O-N 2.8Å; N504-K506 PolarHBondContact O-N 3.42Å; N504-D597 PolarHBondContact ND2-O 2.78Å |
| 505 | A | 83.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 134.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V501 C502 E503 T556 S559 F561 | V501-A505 HydrophobicContact CG1-CB 3.82Å; C502-A505 HydrophobicContact CB-CB 4.5Å; C502-A505 WeakPolarHBondContact O-CB 3.38Å; C502-A505 PolarHBondContact O-N 2.94Å; E503-A505 VanDerWaalsContact C-N 3.28Å; E503-A505 PolarHBondContact O-N 3.44Å; A505-T556 HydrophobicContact CB-CG2 4.26Å; A505-S559 WeakPolarHBondContact O-CA 3.4Å; A505-S559 WeakPolarHBondContact O-CB 3.45Å; A505-F561 HydrophobicContact CB-CD2 4.27Å; A505-F561 HydrophobicContact CB-CE2 4.49Å |
| 506 | K | 83.7 | Confident | 87.7 | Confident | 163 Ų | 163 | 52.9 Ų | 52.9 | 71% | 0.709 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 156.6 | 178.3 | -64.4 | 177.6 | -174.7 | 170.3 | 0 | 109.7 | N504 Q509 T556 | N504-K506 PolarHBondContact O-N 3.42Å; K506-Q509 WeakPolarHBondContact O-CB 3.26Å; K506-Q509 PolarHBondContact O-N 3.32Å; K506-T556 PolarHBondContact O-OG1 2.9Å |
| 507 | A | 85.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 50% | 0.496 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 138 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 508 | G | 83.6 | Confident | 88.1 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 55% | 0.546 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 10.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T556 | G508-T556 WeakPolarHBondContact CA-O 3.48Å; G508-T556 PolarHBondContact N-O 3.2Å; G508-T556 PolarHBondContact N-OG1 2.61Å |
| 509 | Q | 87.4 | Confident | 88.2 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | trans | -78 | 133.8 | 178.1 | -177.9 | 173.6 | -12.2 | 0 | 0 | 110.5 | K506 L555 T556 | K506-Q509 WeakPolarHBondContact O-CB 3.26Å; K506-Q509 PolarHBondContact O-N 3.32Å; Q509-L555 VanDerWaalsContact O-CA 3.3Å; Q509-L555 WeakPolarHBondContact O-CA 2.9Å; Q509-T556 PolarHBondContact N-OG1 2.84Å; Q509-T556 PolarHBondContact O-N 2.83Å; Q509-T556 PolarHBondContact O-OG1 3.35Å | ||
| 510 | L | 89.1 | Confident | 88.3 | Confident | 79 Ų | 79 | 54.3 Ų | 54.3 | 41% | 0.414 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 124.3 | 173.4 | 178.6 | 65.2 | 0 | 0 | 0 | 109.7 | W553 L555 | L510-W553 HydrophobicContact CD1-CB 3.54Å; L510-W553 HydrophobicContact CD1-CD2 4.3Å; L510-W553 HydrophobicContact CD1-CG 3.54Å; L510-W553 HydrophobicContact CD2-CG 4.5Å; L510-L555 HydrophobicContact CB-CD2 4.12Å; L510-L555 HydrophobicContact CD1-CD2 4.37Å |
| 511 | I | 88.9 | Confident | 88.3 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -48.6 | -179.1 | -51.2 | 161.9 | 0 | 0 | 0 | 110.1 | A499 F500 V501 F542 I554 T556 | A499-I511 HydrophobicContact CB-CG2 3.81Å; F500-I511 VanDerWaalsContact O-CG2 3.3Å; F500-I511 WeakPolarHBondContact O-CG2 3.43Å; V501-I511 HydrophobicContact CG2-CB 4.25Å; V501-I511 HydrophobicContact CG2-CD1 3.36Å; V501-I511 HydrophobicContact CG2-CG1 3.75Å; V501-I511 HydrophobicContact CG2-CG2 3.46Å; V501-I511 VanDerWaalsContact CG2-CG2 3.46Å; I511-F542 HydrophobicContact CD1-CD1 3.6Å; I511-F542 HydrophobicContact CD1-CE1 3.59Å; I511-I554 PolarHBondContact N-O 2.83Å; I511-T556 HydrophobicContact CD1-CG2 3.54Å; I511-T556 HydrophobicContact CG1-CG2 3.85Å |
| 512 | Q | 90.1 | Very high | 88.1 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 146.4 | -175.2 | -171.1 | 61.6 | 15.3 | 0 | 0 | 110.2 | Y497 A499 V514 I554 | Y497-Q512 HydrophobicContact CD1-CG 4.31Å; A499-Q512 HydrophobicContact CB-CB 3.74Å; A499-Q512 HydrophobicContact CB-CG 4.23Å; Q512-V514 HydrophobicContact CG-CG1 4.32Å; Q512-I554 PolarHBondContact O-N 2.85Å |
| 513 | T | 92.5 | Very high | 87.9 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.5 | 166.3 | -55 | 0 | 0 | 0 | 0 | 108 | T551 A552 W553 | T513-T551 HydrophobicContact CG2-CG2 4.34Å; T513-A552 WeakPolarHBondContact CA-O 3.25Å; T513-W553 VanDerWaalsContact OG1-CD1 3.31Å |
| 514 | V | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 149.9 | 177.9 | -61 | 0 | 0 | 0 | 0 | 110.1 | F493 Y497 Q512 Y530 T551 A552 I554 L589 | F493-V514 HydrophobicContact CD1-CB 4.48Å; F493-V514 HydrophobicContact CE1-CB 3.9Å; F493-V514 HydrophobicContact CE1-CG1 4.35Å; F493-V514 HydrophobicContact CE1-CG2 4.11Å; Y497-V514 HydrophobicContact CD1-CG1 4.14Å; Y497-V514 HydrophobicContact CD2-CB 4.21Å; Y497-V514 HydrophobicContact CD2-CG1 4.03Å; Y497-V514 HydrophobicContact CE1-CG1 4.49Å; Y497-V514 HydrophobicContact CE2-CB 4.13Å; Y497-V514 HydrophobicContact CE2-CG1 4.41Å; Y497-V514 HydrophobicContact CG-CG1 3.91Å; Q512-V514 HydrophobicContact CG-CG1 4.32Å; V514-Y530 HydrophobicContact CG2-CD1 4.41Å; V514-Y530 HydrophobicContact CG2-CE1 4.4Å; V514-T551 VanDerWaalsContact O-CA 3.3Å; V514-T551 WeakPolarHBondContact O-CA 3.23Å; V514-T551 WeakPolarHBondContact O-CB 3.47Å; V514-A552 HydrophobicContact CG2-CB 3.88Å; V514-A552 PolarHBondContact N-O 3.08Å; V514-A552 PolarHBondContact O-N 3Å; V514-I554 HydrophobicContact CG1-CG1 4.12Å; V514-I554 HydrophobicContact CG2-CD1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.41Å; V514-L589 HydrophobicContact CG1-CD1 4.42Å |
| 515 | S | 93.7 | Very high | 87.9 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 23% | 0.231 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.4 | 174.9 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | A494 Y497 Y530 | A494-S515 PolarHBondContact N-O 2.98Å; Y497-S515 WeakPolarHBondContact CE2-O 3.45Å; Y497-S515 PolarHBondContact OH-N 3.24Å; Y497-S515 VanDerWaalsContact OH-N 3.08Å; Y497-S515 PolarHBondContact OH-O 3.01Å; Y497-S515 PolarHBondContact OH-OG 2.97Å; S515-Y530 WeakPolarHBondContact CA-OH 3.32Å |
| 516 | A | 92.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 11% | 0.107 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 162.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P491 E492 F528 Y530 I575 | P491-A516 HydrophobicContact CB-CB 4.38Å; E492-A516 CarbonylContact O-C 3.53Å; E492-A516 WeakPolarHBondContact O-CA 3.48Å; E492-A516 VanDerWaalsContact O-CB 3.26Å; E492-A516 WeakPolarHBondContact O-CB 3.36Å; A516-F528 HydrophobicContact CB-CD2 3.79Å; A516-F528 HydrophobicContact CB-CE2 4.01Å; A516-F528 HydrophobicContact CB-CG 4.08Å; A516-F528 HydrophobicContact CB-CZ 4.49Å; A516-F528 WeakPolarHBondContact O-CE2 3.36Å; A516-Y530 HydrophobicContact CB-CE1 4.2Å; A516-Y530 WeakPolarHBondContact CB-OH 3.32Å; A516-Y530 PolarHBondContact N-OH 3.12Å; A516-I575 HydrophobicContact CB-CD1 4.16Å; A516-I575 HydrophobicContact CB-CG2 3.68Å |
| 517 | I | 92.1 | Very high | 88.3 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 44% | 0.441 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.3 | 168.7 | -167.6 | 166.1 | 0 | 0 | 0 | 107.6 | E492 A494 | E492-I517 HydrophobicContact CG-CG2 3.85Å; E492-I517 PolarHBondContact N-O 2.89Å; E492-I517 PolarHBondContact O-N 2.91Å; A494-I517 HydrophobicContact CB-CB 4.32Å; A494-I517 HydrophobicContact CB-CG2 4.49Å |
| 518 | D | 93.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.059 | 34% | 0.337 | C | S | . | . | trans | -120.7 | 149.4 | 170 | -147.1 | -40.1 | 0 | 0 | 0 | 108.8 | N489 P491 D520 Q526 F528 | N489-D518 WeakPolarHBondContact CB-OD1 3.45Å; P491-D518 WeakPolarHBondContact CA-OD2 3.23Å; P491-D518 HydrophobicContact CB-CB 4.37Å; P491-D518 WeakPolarHBondContact CB-OD2 3.39Å; P491-D518 VanDerWaalsContact CD-OD2 3.3Å; P491-D518 WeakPolarHBondContact CD-OD2 3.36Å; P491-D518 VanDerWaalsContact N-OD2 3.16Å; D518-D520 PolarHBondContact OD1-N 3.05Å; D518-Q526 HydrophobicContact CB-CG 4.5Å; D518-Q526 PolarHBondContact O-NE2 2.78Å; D518-F528 HydrophobicContact CB-CE1 3.76Å; D518-F528 HydrophobicContact CB-CZ 3.79Å | ||
| 519 | R | 91.1 | Very high | 89 | Confident | 171 Ų | 171 | 67 Ų | 67 | 65% | 0.645 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -83.2 | -28.5 | 176.7 | -64.4 | -170.8 | -178.6 | -175 | 2.5 | 111.4 | E454 N489 | E454-R519 HydrophobicContact CG-CB 3.73Å; N489-R519 HydrophobicContact CB-CB 4.29Å |
| 520 | D | 92 | Very high | 89.3 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | trans | -62.6 | 139.6 | 175.1 | -60.1 | -11.4 | 0 | 0 | 0 | 109.9 | N487 D488 N489 D518 P522 Q526 | N487-D520 VanDerWaalsContact CA-OD2 3.23Å; N487-D520 WeakPolarHBondContact CA-OD2 3.36Å; N487-D520 PolarHBondContact OD1-OD2 3.32Å; D488-D520 PolarHBondContact N-OD2 3.13Å; N489-D520 VanDerWaalsContact CB-OD1 3.23Å; N489-D520 WeakPolarHBondContact CB-OD1 2.99Å; N489-D520 PolarHBondContact N-OD1 3.22Å; N489-D520 PolarHBondContact N-OD2 2.85Å; N489-D520 PolarHBondContact ND2-OD1 2.85Å; D518-D520 PolarHBondContact OD1-N 3.05Å; D520-P522 WeakPolarHBondContact O-CD 3.38Å; D520-Q526 PolarHBondContact O-NE2 2.99Å | ||
| 521 | D | 87.2 | Confident | 89.4 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | trans | -124.6 | 79.1 | -179.7 | 167.4 | 55.7 | 0 | 0 | 0 | 110.6 | R453 D485 | R453-D521 IonicContact CZ-OD2 3.48Å; R453-D521 VanDerWaalsContact NH1-CA 3.31Å; R453-D521 PolarHBondContact NH1-O 2.83Å; R453-D521 IonicContact NH1-OD2 2.71Å; R453-D521 IonicContact NH2-OD2 3.48Å; R453-D521 PolarHBondContact NH2-OD2 3.34Å; D485-D521 PolarHBondContact OD1-N 2.98Å; D485-D521 VanDerWaalsContact OD1-N 3.1Å; D485-D521 VanDerWaalsContact OD2-C 3.23Å; D485-D521 PolarHBondContact OD2-N 3.06Å | ||
| 522 | P | 84.9 | Confident | 89.5 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | trans | -72.2 | 149 | -176.7 | 28.4 | -35.6 | 0 | 0 | 0 | 111.4 | D485 D520 E524 G525 Q526 | D485-P522 WeakPolarHBondContact OD2-CA 3.37Å; D520-P522 WeakPolarHBondContact O-CD 3.38Å; P522-E524 PolarHBondContact O-N 3.25Å; P522-E524 VanDerWaalsContact O-N 3.07Å; P522-G525 PolarHBondContact O-N 3.39Å; P522-Q526 HydrophobicContact CG-CG 4.38Å | ||
| 523 | Q | 79.4 | Confident | 89.5 | Confident | 188 Ų | 188 | 60 Ų | 60 | 88% | 0.879 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.5 | -174.2 | -65.4 | -169.7 | 2.2 | 0 | 0 | 115.2 | G525 | Q523-G525 VanDerWaalsContact C-N 3.34Š|
| 524 | E | 81.8 | Confident | 89.1 | Confident | 178 Ų | 178 | 62.9 Ų | 62.9 | 83% | 0.832 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.2 | 179.1 | -63.5 | -169.4 | 169.1 | 0 | 0 | 113.2 | P522 | P522-E524 PolarHBondContact O-N 3.25Å; P522-E524 VanDerWaalsContact O-N 3.07Å |
| 525 | G | 82.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | trans | 84.6 | 158.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P522 Q523 | P522-G525 PolarHBondContact O-N 3.39Å; Q523-G525 VanDerWaalsContact C-N 3.34Å | ||
| 526 | Q | 86.1 | Confident | 88.3 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | trans | -71.9 | 136.6 | -178.6 | -63.6 | 175 | -1.1 | 0 | 0 | 111.1 | D518 D520 P522 F528 N550 | D518-Q526 HydrophobicContact CB-CG 4.5Å; D518-Q526 PolarHBondContact O-NE2 2.78Å; D520-Q526 PolarHBondContact O-NE2 2.99Å; P522-Q526 HydrophobicContact CG-CG 4.38Å; Q526-F528 HydrophobicContact CB-CE1 4.17Å; Q526-F528 HydrophobicContact CB-CE2 4.3Å; Q526-F528 HydrophobicContact CB-CZ 3.76Å; Q526-F528 HydrophobicContact CG-CZ 4.33Å; Q526-F528 VanDerWaalsContact OE1-CZ 3.29Å; Q526-N550 PolarHBondContact O-ND2 2.71Å | ||
| 527 | H | 89.6 | Confident | 87.7 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | trans | -133.6 | 123.8 | 174.9 | -75.5 | -66.2 | 0 | 0 | 0 | 110.6 | N550 D577 N578 | H527-N550 WeakPolarHBondContact CA-OD1 3.28Å; H527-D577 CarbonylContact O-C 3.38Å; H527-N578 HydrophobicContact CB-CB 3.91Å; H527-N578 PolarHBondContact O-N 3.04Å; H527-N578 VanDerWaalsContact O-N 3.17Å | ||
| 528 | F | 92.1 | Very high | 87.2 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 4% | 0.044 | 39% | 0.389 | C | S | . | . | trans | -114.3 | 138.5 | -176.1 | -53 | -51.2 | 0 | 0 | 0 | 112.1 | P491 A516 D518 Q526 Y530 N550 I575 S576 | P491-F528 HydrophobicContact CB-CD1 3.65Å; P491-F528 HydrophobicContact CB-CE1 3.55Å; P491-F528 HydrophobicContact CB-CZ 4.35Å; P491-F528 HydrophobicContact CG-CD1 4.15Å; P491-F528 HydrophobicContact CG-CE1 4.38Å; A516-F528 HydrophobicContact CB-CD2 3.79Å; A516-F528 HydrophobicContact CB-CE2 4.01Å; A516-F528 HydrophobicContact CB-CG 4.08Å; A516-F528 HydrophobicContact CB-CZ 4.49Å; A516-F528 WeakPolarHBondContact O-CE2 3.36Å; D518-F528 HydrophobicContact CB-CE1 3.76Å; D518-F528 HydrophobicContact CB-CZ 3.79Å; Q526-F528 HydrophobicContact CB-CE1 4.17Å; Q526-F528 HydrophobicContact CB-CE2 4.3Å; Q526-F528 HydrophobicContact CB-CZ 3.76Å; Q526-F528 HydrophobicContact CG-CZ 4.33Å; Q526-F528 VanDerWaalsContact OE1-CZ 3.29Å; F528-Y530 HydrophobicContact CB-CE2 3.87Å; F528-N550 HydrophobicContact CD2-CB 3.95Å; F528-N550 PolarHBondContact N-OD1 2.9Å; F528-I575 HydrophobicContact CB-CG2 4.39Å; F528-S576 WeakPolarHBondContact CA-O 3.3Å | ||
| 529 | Y | 91.6 | Very high | 86.8 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 43% | 0.431 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.7 | 170.8 | -56 | -78.9 | 0 | 0 | 0 | 110.1 | D546 S576 N578 M582 | Y529-D546 WeakPolarHBondContact CA-OD2 3.5Å; Y529-S576 PolarHBondContact N-O 3.4Å; Y529-S576 PolarHBondContact O-N 2.84Å; Y529-S576 PolarHBondContact O-OG 2.85Å; Y529-N578 HydrophobicContact CE2-CB 3.99Å; Y529-N578 PolarHBondContact OH-OD1 3Å; Y529-M582 HydrophobicContact CD2-CE 4.12Å |
| 530 | Y | 92.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 72 Ų | 72 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.2 | -179 | -61.6 | -92.1 | 0 | 0 | 0 | 111.2 | V514 S515 A516 F528 L544 D546 N550 A552 I573 I575 | V514-Y530 HydrophobicContact CG2-CD1 4.41Å; V514-Y530 HydrophobicContact CG2-CE1 4.4Å; S515-Y530 WeakPolarHBondContact CA-OH 3.32Å; A516-Y530 HydrophobicContact CB-CE1 4.2Å; A516-Y530 WeakPolarHBondContact CB-OH 3.32Å; A516-Y530 PolarHBondContact N-OH 3.12Å; F528-Y530 HydrophobicContact CB-CE2 3.87Å; Y530-L544 WeakPolarHBondContact O-CD2 3.24Å; Y530-D546 PolarHBondContact N-OD2 3.42Å; Y530-N550 WeakPolarHBondContact CE2-O 3.43Å; Y530-N550 PolarHBondContact OH-O 2.86Å; Y530-A552 HydrophobicContact CD1-CB 4.01Å; Y530-A552 HydrophobicContact CD2-CB 3.73Å; Y530-A552 HydrophobicContact CE2-CB 4.37Å; Y530-A552 HydrophobicContact CG-CB 3.51Å; Y530-I573 HydrophobicContact CD1-CG2 4.31Å; Y530-I575 HydrophobicContact CD1-CG1 4.04Å; Y530-I575 HydrophobicContact CD1-CG2 4.22Å; Y530-I575 HydrophobicContact CE1-CD1 4.34Å; Y530-I575 HydrophobicContact CE1-CG1 4.06Å; Y530-I575 HydrophobicContact CE1-CG2 3.89Å |
| 531 | S | 91.7 | Very high | 86.2 | Confident | 50 Ų | 50 | 72.7 Ų | 72.7 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 158.7 | 173 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | I573 L574 | S531-I573 CarbonylContact O-C 3.56Å; S531-L574 PolarHBondContact N-O 3.22Å; S531-L574 PolarHBondContact O-N 3Å |
| 532 | L | 90.9 | Very high | 86.4 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.5 | 168.2 | -67.7 | 178.1 | 0 | 0 | 0 | 108.4 | A536 N539 L544 L571 I573 | L532-A536 WeakPolarHBondContact CD1-O 3.4Å; L532-N539 HydrophobicContact CD1-CB 4.48Å; L532-L544 HydrophobicContact CD2-CB 3.95Å; L532-L544 HydrophobicContact CD2-CD1 4.44Å; L532-L544 HydrophobicContact CG-CB 3.96Å; L532-L571 HydrophobicContact CD2-CD1 3.69Å; L532-L571 HydrophobicContact CD2-CD2 3.99Å; L532-L571 HydrophobicContact CD2-CG 3.85Å; L532-I573 HydrophobicContact CD2-CG1 4.34Å |
| 533 | A | 89.1 | Confident | 86.6 | Confident | 5 Ų | 5 | 68.4 Ų | 68.4 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | trans | -54.9 | 151.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E535 A536 A537 P572 T586 | A533-E535 PolarHBondContact O-N 3.28Å; A533-A536 CarbonylContact O-C 3.58Å; A533-A536 WeakPolarHBondContact O-CA 3.25Å; A533-A536 PolarHBondContact O-N 2.79Å; A533-A537 PolarHBondContact O-N 2.78Å; A533-P572 HydrophobicContact CB-CB 3.8Å; A533-P572 HydrophobicContact CB-CG 4.02Å; A533-P572 WeakPolarHBondContact CB-O 3.42Å; A533-P572 PolarHBondContact N-O 2.98Å; A533-T586 HydrophobicContact CB-CG2 4.2Å | ||
| 534 | P | 85.2 | Confident | 87.2 | Confident | 112 Ų | 112 | 61 Ų | 61 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -51.6 | -34.1 | -176.6 | -28.7 | 35 | 0 | 0 | 0 | 114 | A536 | P534-A536 VanDerWaalsContact C-N 3.3Å; P534-A536 PolarHBondContact O-N 3.24Å |
| 535 | E | 85.1 | Confident | 87.7 | Confident | 188 Ų | 188 | 59.7 Ų | 59.7 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -66.1 | -29.1 | 176.1 | -59.2 | 178.2 | -174.6 | 0 | 0 | 113.5 | A533 | A533-E535 PolarHBondContact O-N 3.28Š|
| 536 | A | 83.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -109.6 | 6.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L532 A533 P534 N538 N539 L571 P572 | L532-A536 WeakPolarHBondContact CD1-O 3.4Å; A533-A536 CarbonylContact O-C 3.58Å; A533-A536 WeakPolarHBondContact O-CA 3.25Å; A533-A536 PolarHBondContact O-N 2.79Å; P534-A536 VanDerWaalsContact C-N 3.3Å; P534-A536 PolarHBondContact O-N 3.24Å; A536-N538 PolarHBondContact O-N 3.11Å; A536-N538 VanDerWaalsContact O-N 3.16Å; A536-N539 WeakPolarHBondContact O-CB 3.2Å; A536-N539 PolarHBondContact O-N 2.71Å; A536-L571 HydrophobicContact CB-CD1 4.4Å; A536-P572 HydrophobicContact CB-CG 3.72Å |
| 537 | A | 79.8 | Confident | 88.2 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -34.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A533 | A533-A537 PolarHBondContact O-N 2.78Š|
| 538 | N | 81.3 | Confident | 88 | Confident | 147 Ų | 147 | 63.2 Ų | 63.2 | 79% | 0.786 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 29.8 | 175.4 | -80.6 | -22 | 0 | 0 | 0 | 113.3 | A536 P540 | A536-N538 PolarHBondContact O-N 3.11Å; A536-N538 VanDerWaalsContact O-N 3.16Å; N538-P540 WeakPolarHBondContact O-CD 3.47Å |
| 539 | N | 84.5 | Confident | 87.7 | Confident | 25 Ų | 25 | 67.4 Ų | 67.4 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | trans | -56.2 | 124.1 | 179.3 | -166.6 | -55.3 | 0 | 0 | 0 | 110.6 | L532 A536 N541 F542 R557 L571 | L532-N539 HydrophobicContact CD1-CB 4.48Å; A536-N539 WeakPolarHBondContact O-CB 3.2Å; A536-N539 PolarHBondContact O-N 2.71Å; N539-N541 VanDerWaalsContact C-N 3.31Å; N539-N541 WeakPolarHBondContact OD1-CA 3.25Å; N539-N541 WeakPolarHBondContact OD1-CB 3.26Å; N539-N541 PolarHBondContact OD1-N 3.38Å; N539-F542 PolarHBondContact OD1-N 2.85Å; N539-R557 VanDerWaalsContact O-CD 3.29Å; N539-R557 WeakPolarHBondContact O-CD 3.37Å; N539-R557 PolarHBondContact O-NH1 2.94Å; N539-L571 HydrophobicContact CB-CD1 4.46Å; N539-L571 WeakPolarHBondContact ND2-CD1 3.48Å | ||
| 540 | P | 84.1 | Confident | 87.6 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -79.8 | -14.9 | -178.3 | 30.9 | -34.6 | 0 | 0 | 0 | 113 | N538 | N538-P540 WeakPolarHBondContact O-CD 3.47Š|
| 541 | N | 87.6 | Confident | 87.6 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.08 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -100.8 | -40.2 | -170.7 | -59.8 | -21.4 | 0 | 0 | 0 | 112.2 | N539 R557 R558 F561 F569 | N539-N541 VanDerWaalsContact C-N 3.31Å; N539-N541 WeakPolarHBondContact OD1-CA 3.25Å; N539-N541 WeakPolarHBondContact OD1-CB 3.26Å; N539-N541 PolarHBondContact OD1-N 3.38Å; N541-R557 PolarHBondContact O-N 2.83Å; N541-R558 VanDerWaalsContact OD1-CD 3.3Å; N541-R558 WeakPolarHBondContact OD1-CD 3.38Å; N541-R558 PolarHBondContact OD1-NH1 3.22Å; N541-F561 HydrophobicContact CB-CE1 4.12Å; N541-F569 WeakPolarHBondContact ND2-CE1 2.98Å |
| 542 | F | 90.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.1 | -175.4 | -53.7 | -68.9 | 0 | 0 | 0 | 112 | V501 I511 N539 L555 F561 F569 L571 V591 | V501-F542 HydrophobicContact CG2-CE1 4Å; I511-F542 HydrophobicContact CD1-CD1 3.6Å; I511-F542 HydrophobicContact CD1-CE1 3.59Å; N539-F542 PolarHBondContact OD1-N 2.85Å; F542-L555 WeakPolarHBondContact CA-O 3.38Å; F542-F561 AromaticContact CE1-CE1 3.86Å; F542-F561 HydrophobicContact CE1-CE1 3.86Å; F542-F561 AromaticContact CE1-CZ 3.85Å; F542-F561 HydrophobicContact CE1-CZ 3.85Å; F542-F561 AromaticContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CZ 4.2Å; F542-F569 HydrophobicContact CE2-CB 3.61Å; F542-F569 HydrophobicContact CE2-CD1 4.16Å; F542-F569 AromaticContact CE2-CD2 3.88Å; F542-F569 HydrophobicContact CE2-CD2 3.88Å; F542-F569 AromaticContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CZ-CB 4.32Å; F542-F569 AromaticContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CG 4.15Å; F542-L571 HydrophobicContact CB-CD1 4.22Å; F542-L571 HydrophobicContact CB-CD2 3.89Å; F542-L571 HydrophobicContact CG-CD2 4.43Å; F542-V591 HydrophobicContact CE1-CG1 3.97Å; F542-V591 HydrophobicContact CE2-CB 4.36Å; F542-V591 HydrophobicContact CE2-CG1 4.44Å; F542-V591 HydrophobicContact CE2-CG2 4.41Å; F542-V591 HydrophobicContact CZ-CB 4.08Å; F542-V591 HydrophobicContact CZ-CG1 3.69Å; F542-V591 HydrophobicContact CZ-CG2 4.38Å |
| 543 | T | 90.6 | Very high | 87.8 | Confident | 41 Ų | 41 | 65.9 Ų | 65.9 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 149.6 | 172.1 | 44.5 | 0 | 0 | 0 | 0 | 109.3 | L555 R557 | T543-L555 PolarHBondContact N-O 2.9Å; T543-L555 PolarHBondContact O-N 3.36Å; T543-L555 PolarHBondContact OG1-O 2.96Å; T543-R557 HydrophobicContact CG2-CB 3.87Å; T543-R557 HydrophobicContact CG2-CG 3.63Å |
| 544 | L | 91.7 | Very high | 88 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.6 | 175.9 | -176.4 | 150 | 0 | 0 | 0 | 109.4 | Y530 L532 A552 I554 I573 | Y530-L544 WeakPolarHBondContact O-CD2 3.24Å; L532-L544 HydrophobicContact CD2-CB 3.95Å; L532-L544 HydrophobicContact CD2-CD1 4.44Å; L532-L544 HydrophobicContact CG-CB 3.96Å; L544-A552 HydrophobicContact CD1-CB 4.28Å; L544-A552 HydrophobicContact CD2-CB 4.11Å; L544-A552 HydrophobicContact CG-CB 4.17Å; L544-I554 HydrophobicContact CB-CD1 4.23Å; L544-I554 HydrophobicContact CD1-CD1 3.59Å; L544-I554 HydrophobicContact CG-CD1 3.88Å; L544-I573 HydrophobicContact CD1-CB 4.47Å; L544-I573 HydrophobicContact CD1-CD1 4.2Å; L544-I573 HydrophobicContact CD1-CG1 4.04Å; L544-I573 HydrophobicContact CD1-CG2 3.66Å |
| 545 | R | 91.2 | Very high | 88.3 | Confident | 149 Ų | 149 | 61.8 Ų | 61.8 | 56% | 0.562 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.9 | 168.2 | 178.4 | 179.3 | 174.6 | -171.9 | -3.5 | 108.9 | A552 W553 L555 | R545-A552 WeakPolarHBondContact O-CA 3.46Å; R545-W553 PolarHBondContact N-O 2.9Å; R545-W553 PolarHBondContact O-N 2.93Å; R545-L555 HydrophobicContact CB-CD1 3.94Å |
| 546 | D | 90.6 | Very high | 88.5 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.214 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.5 | 170.6 | -165.4 | -25.7 | 0 | 0 | 0 | 109.5 | Y529 Y530 Q548 | Y529-D546 WeakPolarHBondContact CA-OD2 3.5Å; Y530-D546 PolarHBondContact N-OD2 3.42Å; D546-Q548 PolarHBondContact OD1-N 3.11Å |
| 547 | N | 89 | Confident | 88.7 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.16 | 29% | 0.294 | C | S | . | . | trans | -90.3 | -6 | -178.7 | -64.4 | -27.2 | 0 | 0 | 0 | 112.9 | D549 T551 W553 | N547-D549 WeakPolarHBondContact CB-OD1 3.27Å; N547-D549 PolarHBondContact O-N 3.01Å; N547-T551 WeakPolarHBondContact CB-O 3.11Å; N547-T551 PolarHBondContact N-O 2.81Å; N547-T551 VanDerWaalsContact N-O 3.08Å; N547-T551 PolarHBondContact ND2-OG1 2.86Å; N547-W553 VanDerWaalsContact ND2-CE2 3.33Å; N547-W553 PolarHBondContact ND2-NE1 2.8Å | ||
| 548 | Q | 85.1 | Confident | 89 | Confident | 183 Ų | 183 | 60.5 Ų | 60.5 | 86% | 0.855 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 61 | 17.3 | -177.1 | -52.7 | -179.5 | -20.7 | 0 | 0 | 114.3 | D546 | D546-Q548 PolarHBondContact OD1-N 3.11Š|
| 549 | D | 87 | Confident | 89.1 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -120.9 | 29.2 | 178.8 | 66.6 | -3.3 | 0 | 0 | 0 | 111.5 | N547 T551 | N547-D549 WeakPolarHBondContact CB-OD1 3.27Å; N547-D549 PolarHBondContact O-N 3.01Å; D549-T551 PolarHBondContact O-N 3.47Å; D549-T551 WeakPolarHBondContact OD1-CB 3.22Å; D549-T551 PolarHBondContact OD1-N 2.96Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å |
| 550 | N | 89.3 | Confident | 88.8 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | S | Bend | trans | 61.4 | 13.8 | -170.4 | -66.8 | -14.4 | 0 | 0 | 0 | 114.7 | Q526 H527 F528 Y530 | Q526-N550 PolarHBondContact O-ND2 2.71Å; H527-N550 WeakPolarHBondContact CA-OD1 3.28Å; F528-N550 HydrophobicContact CD2-CB 3.95Å; F528-N550 PolarHBondContact N-OD1 2.9Å; Y530-N550 WeakPolarHBondContact CE2-O 3.43Å; Y530-N550 PolarHBondContact OH-O 2.86Å |
| 551 | T | 91.9 | Very high | 88.7 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 159.5 | 169.8 | 77.1 | 0 | 0 | 0 | 0 | 111.9 | T513 V514 N547 D549 | T513-T551 HydrophobicContact CG2-CG2 4.34Å; V514-T551 VanDerWaalsContact O-CA 3.3Å; V514-T551 WeakPolarHBondContact O-CA 3.23Å; V514-T551 WeakPolarHBondContact O-CB 3.47Å; N547-T551 WeakPolarHBondContact CB-O 3.11Å; N547-T551 PolarHBondContact N-O 2.81Å; N547-T551 VanDerWaalsContact N-O 3.08Å; N547-T551 PolarHBondContact ND2-OG1 2.86Å; D549-T551 PolarHBondContact O-N 3.47Å; D549-T551 WeakPolarHBondContact OD1-CB 3.22Å; D549-T551 PolarHBondContact OD1-N 2.96Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å |
| 552 | A | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T513 V514 Y530 L544 R545 | T513-A552 WeakPolarHBondContact CA-O 3.25Å; V514-A552 HydrophobicContact CG2-CB 3.88Å; V514-A552 PolarHBondContact N-O 3.08Å; V514-A552 PolarHBondContact O-N 3Å; Y530-A552 HydrophobicContact CD1-CB 4.01Å; Y530-A552 HydrophobicContact CD2-CB 3.73Å; Y530-A552 HydrophobicContact CE2-CB 4.37Å; Y530-A552 HydrophobicContact CG-CB 3.51Å; L544-A552 HydrophobicContact CD1-CB 4.28Å; L544-A552 HydrophobicContact CD2-CB 4.11Å; L544-A552 HydrophobicContact CG-CB 4.17Å; R545-A552 WeakPolarHBondContact O-CA 3.46Å |
| 553 | W | 93.6 | Very high | 87.5 | Confident | 92 Ų | 92 | 62.1 Ų | 62.1 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127.1 | 174.5 | -74.9 | -14.4 | 0 | 0 | 0 | 111.3 | L510 T513 R545 N547 L555 | L510-W553 HydrophobicContact CD1-CB 3.54Å; L510-W553 HydrophobicContact CD1-CD2 4.3Å; L510-W553 HydrophobicContact CD1-CG 3.54Å; L510-W553 HydrophobicContact CD2-CG 4.5Å; T513-W553 VanDerWaalsContact OG1-CD1 3.31Å; R545-W553 PolarHBondContact N-O 2.9Å; R545-W553 PolarHBondContact O-N 2.93Å; N547-W553 VanDerWaalsContact ND2-CE2 3.33Å; N547-W553 PolarHBondContact ND2-NE1 2.8Å; W553-L555 HydrophobicContact CB-CG 4.5Å |
| 554 | I | 92.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.9 | 174.2 | -50.2 | -59.3 | 0 | 0 | 0 | 108.6 | I511 Q512 V514 L544 L571 I573 L589 | I511-I554 PolarHBondContact N-O 2.83Å; Q512-I554 PolarHBondContact O-N 2.85Å; V514-I554 HydrophobicContact CG1-CG1 4.12Å; V514-I554 HydrophobicContact CG2-CD1 4.24Å; V514-I554 HydrophobicContact CG2-CG1 4.41Å; L544-I554 HydrophobicContact CB-CD1 4.23Å; L544-I554 HydrophobicContact CD1-CD1 3.59Å; L544-I554 HydrophobicContact CG-CD1 3.88Å; I554-L571 HydrophobicContact CG2-CD2 3.88Å; I554-I573 HydrophobicContact CD1-CD1 3.65Å; I554-I573 HydrophobicContact CG1-CD1 4.44Å; I554-L589 HydrophobicContact CB-CD2 4.19Å; I554-L589 HydrophobicContact CD1-CD2 4.43Å; I554-L589 HydrophobicContact CG1-CD2 3.77Å; I554-L589 HydrophobicContact CG2-CD2 3.82Å |
| 555 | L | 91.6 | Very high | 85.8 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.4 | -171 | -62.2 | 157.8 | 0 | 0 | 0 | 110.5 | Q509 L510 F542 T543 R545 W553 | Q509-L555 VanDerWaalsContact O-CA 3.3Å; Q509-L555 WeakPolarHBondContact O-CA 2.9Å; L510-L555 HydrophobicContact CB-CD2 4.12Å; L510-L555 HydrophobicContact CD1-CD2 4.37Å; F542-L555 WeakPolarHBondContact CA-O 3.38Å; T543-L555 PolarHBondContact N-O 2.9Å; T543-L555 PolarHBondContact O-N 3.36Å; T543-L555 PolarHBondContact OG1-O 2.96Å; R545-L555 HydrophobicContact CB-CD1 3.94Å; W553-L555 HydrophobicContact CB-CG 4.5Å |
| 556 | T | 90.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132.8 | 167.8 | 51.3 | 0 | 0 | 0 | 0 | 110.4 | V501 A505 K506 G508 Q509 I511 F561 | V501-T556 HydrophobicContact CG1-CG2 4.19Å; A505-T556 HydrophobicContact CB-CG2 4.26Å; K506-T556 PolarHBondContact O-OG1 2.9Å; G508-T556 WeakPolarHBondContact CA-O 3.48Å; G508-T556 PolarHBondContact N-O 3.2Å; G508-T556 PolarHBondContact N-OG1 2.61Å; Q509-T556 PolarHBondContact N-OG1 2.84Å; Q509-T556 PolarHBondContact O-N 2.83Å; Q509-T556 PolarHBondContact O-OG1 3.35Å; I511-T556 HydrophobicContact CD1-CG2 3.54Å; I511-T556 HydrophobicContact CG1-CG2 3.85Å; T556-F561 HydrophobicContact CG2-CE2 3.68Å; T556-F561 HydrophobicContact CG2-CZ 4Å |
| 557 | R | 88.2 | Confident | 84.8 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -89.3 | -31 | 173.5 | -162.3 | -179.8 | -173.4 | 159.1 | 1.2 | 112.5 | N539 N541 T543 | N539-R557 VanDerWaalsContact O-CD 3.29Å; N539-R557 WeakPolarHBondContact O-CD 3.37Å; N539-R557 PolarHBondContact O-NH1 2.94Å; N541-R557 PolarHBondContact O-N 2.83Å; T543-R557 HydrophobicContact CG2-CB 3.87Å; T543-R557 HydrophobicContact CG2-CG 3.63Å |
| 558 | R | 86.2 | Confident | 84.7 | Confident | 94 Ų | 94 | 72.2 Ų | 72.2 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -124.7 | 168.8 | -179.2 | 72.6 | -179.8 | -121.2 | -159.4 | 6.5 | 111.3 | N541 G560 F561 | N541-R558 VanDerWaalsContact OD1-CD 3.3Å; N541-R558 WeakPolarHBondContact OD1-CD 3.38Å; N541-R558 PolarHBondContact OD1-NH1 3.22Å; R558-G560 PolarHBondContact NH2-O 3.25Å; R558-F561 HydrophobicContact CG-CE2 4.43Å; R558-F561 HydrophobicContact CG-CZ 4.09Å; R558-F561 VanDerWaalsContact O-CE2 3.25Å; R558-F561 WeakPolarHBondContact O-CE2 3.31Å |
| 559 | S | 81.8 | Confident | 84.9 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 53% | 0.531 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -108.9 | 171.7 | 169 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | A505 | A505-S559 WeakPolarHBondContact O-CA 3.4Å; A505-S559 WeakPolarHBondContact O-CB 3.45Å |
| 560 | G | 78.8 | Confident | 85 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | trans | 74.6 | 55.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R558 | R558-G560 PolarHBondContact NH2-O 3.25Š| ||
| 561 | F | 82.6 | Confident | 85.1 | Confident | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | trans | -74.7 | 133.9 | 167.9 | -65.8 | -90.8 | 0 | 0 | 0 | 108.2 | V501 E503 A505 N541 F542 T556 R558 F569 V593 | V501-F561 HydrophobicContact CG1-CD1 4.37Å; V501-F561 HydrophobicContact CG1-CD2 3.64Å; V501-F561 HydrophobicContact CG1-CE2 3.85Å; V501-F561 HydrophobicContact CG1-CG 3.93Å; V501-F561 HydrophobicContact CG1-CZ 4.29Å; E503-F561 WeakPolarHBondContact CA-O 3.39Å; E503-F561 WeakPolarHBondContact CB-O 3.44Å; E503-F561 WeakPolarHBondContact CG-O 3.27Å; E503-F561 PolarHBondContact O-N 3.02Å; A505-F561 HydrophobicContact CB-CD2 4.27Å; A505-F561 HydrophobicContact CB-CE2 4.49Å; N541-F561 HydrophobicContact CB-CE1 4.12Å; F542-F561 AromaticContact CE1-CE1 3.86Å; F542-F561 HydrophobicContact CE1-CE1 3.86Å; F542-F561 AromaticContact CE1-CZ 3.85Å; F542-F561 HydrophobicContact CE1-CZ 3.85Å; F542-F561 AromaticContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CE1 3.71Å; F542-F561 HydrophobicContact CZ-CZ 4.2Å; T556-F561 HydrophobicContact CG2-CE2 3.68Å; T556-F561 HydrophobicContact CG2-CZ 4Å; R558-F561 HydrophobicContact CG-CE2 4.43Å; R558-F561 HydrophobicContact CG-CZ 4.09Å; R558-F561 VanDerWaalsContact O-CE2 3.25Å; R558-F561 WeakPolarHBondContact O-CE2 3.31Å; F561-F569 HydrophobicContact CD1-CE2 4.14Å; F561-F569 HydrophobicContact CE1-CE2 4.48Å; F561-V593 HydrophobicContact CB-CG1 3.87Å; F561-V593 HydrophobicContact CB-CG2 4.28Å; F561-V593 HydrophobicContact CD1-CG2 4.38Å | ||
| 562 | R | 78.3 | Confident | 85.1 | Confident | 156 Ų | 156 | 64.6 Ų | 64.6 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | trans | -121.5 | 115.8 | 179.3 | -72.9 | 173.8 | 175.2 | -179.2 | 0.4 | 109.2 | H564 E565 Q566 | R562-H564 PolarHBondContact O-N 3.04Å; R562-E565 HydrophobicContact CB-CB 4.25Å; R562-E565 HydrophobicContact CB-CG 4.05Å; R562-E565 VanDerWaalsContact CD-CD 3.5Å; R562-E565 WeakPolarHBondContact CD-OE1 3.42Å; R562-E565 IonicContact CZ-OE1 3.72Å; R562-E565 IonicContact NE-OE1 3.82Å; R562-E565 IonicContact NH1-OE1 2.83Å; R562-E565 PolarHBondContact NH1-OE1 3.25Å; R562-E565 PolarHBondContact O-N 3.39Å; R562-E565 VanDerWaalsContact O-N 3.07Å; R562-Q566 PolarHBondContact O-N 2.76Å | ||
| 563 | Q | 73.2 | Confident | 85 | Confident | 28 Ų | 28 | 64.6 Ų | 64.6 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.4 | -177.1 | -170.1 | -179.6 | 18.9 | 0 | 0 | 112.1 | E503 N567 V593 C605 | E503-Q563 HydrophobicContact CG-CB 4.41Å; E503-Q563 WeakPolarHBondContact OE1-CB 3.17Å; E503-Q563 PolarHBondContact OE1-N 2.79Å; Q563-N567 HydrophobicContact CG-CB 4.48Å; Q563-V593 HydrophobicContact CB-CG1 4.19Å; Q563-V593 WeakPolarHBondContact CG-O 3.38Å; Q563-C605 PolarHBondContact NE2-O 2.9Å |
| 564 | H | 69.1 | Low | 85 | Confident | 187 Ų | 187 | 62.1 Ų | 62.1 | 87% | 0.866 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -23 | 179 | -68.9 | 78.4 | 0 | 0 | 0 | 114.3 | R562 | R562-H564 PolarHBondContact O-N 3.04Š|
| 565 | E | 78.7 | Confident | 85 | Confident | 125 Ų | 125 | 62.1 Ų | 62.1 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -48.6 | 179.3 | -70.9 | 177.3 | -173.2 | 0 | 0 | 110.9 | R562 | R562-E565 HydrophobicContact CB-CB 4.25Å; R562-E565 HydrophobicContact CB-CG 4.05Å; R562-E565 VanDerWaalsContact CD-CD 3.5Å; R562-E565 WeakPolarHBondContact CD-OE1 3.42Å; R562-E565 IonicContact CZ-OE1 3.72Å; R562-E565 IonicContact NE-OE1 3.82Å; R562-E565 IonicContact NH1-OE1 2.83Å; R562-E565 PolarHBondContact NH1-OE1 3.25Å; R562-E565 PolarHBondContact O-N 3.39Å; R562-E565 VanDerWaalsContact O-N 3.07Å |
| 566 | Q | 79 | Confident | 85.1 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | trans | -152.9 | 116.9 | 175.8 | -175.6 | 165.8 | -1.9 | 0 | 0 | 109.4 | R562 T568 F569 | R562-Q566 PolarHBondContact O-N 2.76Å; Q566-T568 WeakPolarHBondContact CG-O 3.44Å; Q566-T568 PolarHBondContact NE2-O 3.23Å; Q566-F569 HydrophobicContact CB-CE1 4.22Å; Q566-F569 HydrophobicContact CB-CE2 4.39Å; Q566-F569 HydrophobicContact CB-CZ 3.82Å; Q566-F569 HydrophobicContact CG-CD1 4.21Å; Q566-F569 HydrophobicContact CG-CE1 3.74Å; Q566-F569 HydrophobicContact CG-CE2 4.14Å; Q566-F569 HydrophobicContact CG-CZ 3.71Å; Q566-F569 VanDerWaalsContact NE2-CD1 3.25Å | ||
| 567 | N | 81.3 | Confident | 85.2 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -90 | -24 | -175.7 | 62.5 | -12.3 | 0 | 0 | 0 | 113.8 | Q563 H592 V593 | Q563-N567 HydrophobicContact CG-CB 4.48Å; N567-H592 WeakPolarHBondContact O-CA 3.22Å; N567-V593 PolarHBondContact O-N 3.29Å |
| 568 | T | 87.3 | Confident | 85.2 | Confident | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.3 | -179.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | Q566 Y570 V591 H592 | Q566-T568 WeakPolarHBondContact CG-O 3.44Å; Q566-T568 PolarHBondContact NE2-O 3.23Å; T568-Y570 HydrophobicContact CG2-CE1 4.32Å; T568-Y570 HydrophobicContact CG2-CE2 4.22Å; T568-V591 CarbonylContact C-O 3.57Å; T568-V591 WeakPolarHBondContact CA-O 3.35Å; T568-H592 PolarHBondContact OG1-CE1 3.13Å; T568-H592 PolarHBondContact OG1-ND1 2.93Å; T568-H592 VanDerWaalsContact OG1-ND1 3.1Å |
| 569 | F | 88.1 | Confident | 85.1 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 141.9 | 171.2 | -63 | -87.6 | 0 | 0 | 0 | 110.1 | N541 F542 F561 Q566 V591 V593 | N541-F569 WeakPolarHBondContact ND2-CE1 2.98Å; F542-F569 HydrophobicContact CE2-CB 3.61Å; F542-F569 HydrophobicContact CE2-CD1 4.16Å; F542-F569 AromaticContact CE2-CD2 3.88Å; F542-F569 HydrophobicContact CE2-CD2 3.88Å; F542-F569 AromaticContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CE2-CG 3.62Å; F542-F569 HydrophobicContact CZ-CB 4.32Å; F542-F569 AromaticContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CD2 3.92Å; F542-F569 HydrophobicContact CZ-CG 4.15Å; F561-F569 HydrophobicContact CD1-CE2 4.14Å; F561-F569 HydrophobicContact CE1-CE2 4.48Å; Q566-F569 HydrophobicContact CB-CE1 4.22Å; Q566-F569 HydrophobicContact CB-CE2 4.39Å; Q566-F569 HydrophobicContact CB-CZ 3.82Å; Q566-F569 HydrophobicContact CG-CD1 4.21Å; Q566-F569 HydrophobicContact CG-CE1 3.74Å; Q566-F569 HydrophobicContact CG-CE2 4.14Å; Q566-F569 HydrophobicContact CG-CZ 3.71Å; Q566-F569 VanDerWaalsContact NE2-CD1 3.25Å; F569-V591 HydrophobicContact CB-CB 4.25Å; F569-V591 PolarHBondContact N-O 3.21Å; F569-V591 PolarHBondContact O-N 2.88Å; F569-V593 HydrophobicContact CD2-CG2 4.03Å; F569-V593 HydrophobicContact CE2-CG2 3.57Å |
| 570 | Y | 90.1 | Very high | 85.1 | Confident | 156 Ų | 156 | 63.3 Ų | 63.3 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.5 | 172.1 | -58.9 | -82.1 | 0 | 0 | 0 | 107.8 | T568 P572 T590 | T568-Y570 HydrophobicContact CG2-CE1 4.32Å; T568-Y570 HydrophobicContact CG2-CE2 4.22Å; Y570-P572 WeakPolarHBondContact O-CD 3.36Å; Y570-T590 HydrophobicContact CD1-CG2 3.78Å; Y570-T590 HydrophobicContact CE1-CG2 3.71Å |
| 571 | L | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 101.6 | -179.6 | -172.5 | 67.1 | 0 | 0 | 0 | 108.9 | L532 A536 N539 F542 I554 I573 L589 | L532-L571 HydrophobicContact CD2-CD1 3.69Å; L532-L571 HydrophobicContact CD2-CD2 3.99Å; L532-L571 HydrophobicContact CD2-CG 3.85Å; A536-L571 HydrophobicContact CB-CD1 4.4Å; N539-L571 HydrophobicContact CB-CD1 4.46Å; N539-L571 WeakPolarHBondContact ND2-CD1 3.48Å; F542-L571 HydrophobicContact CB-CD1 4.22Å; F542-L571 HydrophobicContact CB-CD2 3.89Å; F542-L571 HydrophobicContact CG-CD2 4.43Å; I554-L571 HydrophobicContact CG2-CD2 3.88Å; L571-I573 HydrophobicContact CD2-CD1 4.37Å; L571-I573 HydrophobicContact CD2-CG1 4.44Å; L571-I573 HydrophobicContact CG-CG1 4.28Å; L571-I573 PolarHBondContact O-N 3.46Å; L571-L589 HydrophobicContact CB-CB 4.3Å; L571-L589 HydrophobicContact CD2-CD2 4.33Å; L571-L589 PolarHBondContact N-O 2.85Å; L571-L589 PolarHBondContact O-N 2.78Å |
| 572 | P | 92.3 | Very high | 85.9 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 16% | 0.156 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.2 | 173.9 | 29.6 | -32.9 | 0 | 0 | 0 | 109.9 | A533 A536 Y570 T586 T588 | A533-P572 HydrophobicContact CB-CB 3.8Å; A533-P572 HydrophobicContact CB-CG 4.02Å; A533-P572 WeakPolarHBondContact CB-O 3.42Å; A533-P572 PolarHBondContact N-O 2.98Å; A536-P572 HydrophobicContact CB-CG 3.72Å; Y570-P572 WeakPolarHBondContact O-CD 3.36Å; P572-T586 HydrophobicContact CB-CG2 3.85Å; P572-T588 HydrophobicContact CB-CG2 4.26Å |
| 573 | I | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.4 | -179.2 | -64.3 | 166.2 | 0 | 0 | 0 | 106.8 | F493 Y530 S531 L532 L544 I554 L571 I575 T586 G587 L589 | F493-I573 HydrophobicContact CZ-CB 3.92Å; F493-I573 HydrophobicContact CZ-CD1 3.91Å; F493-I573 HydrophobicContact CZ-CG1 4.47Å; F493-I573 HydrophobicContact CZ-CG2 4.19Å; Y530-I573 HydrophobicContact CD1-CG2 4.31Å; S531-I573 CarbonylContact O-C 3.56Å; L532-I573 HydrophobicContact CD2-CG1 4.34Å; L544-I573 HydrophobicContact CD1-CB 4.47Å; L544-I573 HydrophobicContact CD1-CD1 4.2Å; L544-I573 HydrophobicContact CD1-CG1 4.04Å; L544-I573 HydrophobicContact CD1-CG2 3.66Å; I554-I573 HydrophobicContact CD1-CD1 3.65Å; I554-I573 HydrophobicContact CG1-CD1 4.44Å; L571-I573 HydrophobicContact CD2-CD1 4.37Å; L571-I573 HydrophobicContact CD2-CG1 4.44Å; L571-I573 HydrophobicContact CG-CG1 4.28Å; L571-I573 PolarHBondContact O-N 3.46Å; I573-I575 HydrophobicContact CG2-CG1 4.32Å; I573-T586 CarbonylContact O-C 3.56Å; I573-T586 WeakPolarHBondContact O-CA 3.47Å; I573-G587 PolarHBondContact N-O 3.36Å; I573-G587 PolarHBondContact O-N 2.88Å; I573-L589 HydrophobicContact CD1-CB 3.88Å; I573-L589 HydrophobicContact CD1-CD2 4.19Å |
| 574 | L | 93.3 | Very high | 87.5 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.6 | 172.8 | -176.7 | 72.7 | 0 | 0 | 0 | 108.2 | S531 | S531-L574 PolarHBondContact N-O 3.22Å; S531-L574 PolarHBondContact O-N 3Å |
| 575 | I | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.3 | 176.4 | -46.5 | 170.4 | 0 | 0 | 0 | 106 | P491 F493 A516 F528 Y530 I573 S584 S585 | P491-I575 HydrophobicContact CB-CG2 3.91Å; P491-I575 HydrophobicContact CG-CB 4.37Å; P491-I575 HydrophobicContact CG-CG2 3.83Å; F493-I575 HydrophobicContact CD1-CD1 3.44Å; F493-I575 VanDerWaalsContact CD1-CD1 3.44Å; F493-I575 HydrophobicContact CE1-CD1 3.51Å; F493-I575 HydrophobicContact CE1-CG1 4.25Å; F493-I575 HydrophobicContact CG-CD1 3.97Å; F493-I575 HydrophobicContact CZ-CD1 4.14Å; A516-I575 HydrophobicContact CB-CD1 4.16Å; A516-I575 HydrophobicContact CB-CG2 3.68Å; F528-I575 HydrophobicContact CB-CG2 4.39Å; Y530-I575 HydrophobicContact CD1-CG1 4.04Å; Y530-I575 HydrophobicContact CD1-CG2 4.22Å; Y530-I575 HydrophobicContact CE1-CD1 4.34Å; Y530-I575 HydrophobicContact CE1-CG1 4.06Å; Y530-I575 HydrophobicContact CE1-CG2 3.89Å; I573-I575 HydrophobicContact CG2-CG1 4.32Å; I575-S584 CarbonylContact O-C 3.52Å; I575-S584 WeakPolarHBondContact O-CA 3.39Å; I575-S584 WeakPolarHBondContact O-CB 3.48Å; I575-S585 PolarHBondContact N-O 2.88Å; I575-S585 PolarHBondContact O-N 2.72Å |
| 576 | S | 92.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.6 | 178.2 | 57 | 0 | 0 | 0 | 0 | 110.9 | F528 Y529 M582 L583 | F528-S576 WeakPolarHBondContact CA-O 3.3Å; Y529-S576 PolarHBondContact N-O 3.4Å; Y529-S576 PolarHBondContact O-N 2.84Å; Y529-S576 PolarHBondContact O-OG 2.85Å; S576-M582 WeakPolarHBondContact OG-CE 3.39Å; S576-L583 VanDerWaalsContact CA-O 3.31Å; S576-L583 WeakPolarHBondContact CA-O 3.15Å |
| 577 | D | 92.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | trans | -79.1 | -173.6 | 179 | 61.7 | 40.5 | 0 | 0 | 0 | 111.6 | N487 P491 H527 G579 M582 L583 | N487-D577 PolarHBondContact ND2-OD2 3.44Å; P491-D577 HydrophobicContact CG-CB 4.06Å; H527-D577 CarbonylContact O-C 3.38Å; D577-G579 PolarHBondContact OD1-N 3.44Å; D577-M582 WeakPolarHBondContact O-CE 3.35Å; D577-M582 WeakPolarHBondContact O-CG 3.46Å; D577-M582 VanDerWaalsContact OD1-CA 3.28Å; D577-M582 WeakPolarHBondContact OD1-CA 3.15Å; D577-L583 PolarHBondContact N-O 2.87Å; D577-L583 PolarHBondContact OD1-N 2.84Å; D577-L583 WeakPolarHBondContact OD2-CA 3.49Å; D577-L583 VanDerWaalsContact OD2-CB 3.22Å; D577-L583 WeakPolarHBondContact OD2-CB 3.48Å; D577-L583 PolarHBondContact OD2-N 2.87Å | ||
| 578 | N | 88.1 | Confident | 90.4 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -112.7 | 18.8 | 170.9 | -167.4 | 41.9 | 0 | 0 | 0 | 111.6 | H527 Y529 | H527-N578 HydrophobicContact CB-CB 3.91Å; H527-N578 PolarHBondContact O-N 3.04Å; H527-N578 VanDerWaalsContact O-N 3.17Å; Y529-N578 HydrophobicContact CE2-CB 3.99Å; Y529-N578 PolarHBondContact OH-OD1 3Å |
| 579 | G | 84.1 | Confident | 90.6 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | trans | -72.6 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N487 D577 P581 M582 | N487-G579 WeakPolarHBondContact OD1-CA 3.21Å; D577-G579 PolarHBondContact OD1-N 3.44Å; G579-P581 CarbonylContact C-O 3.58Å; G579-P581 CarbonylContact O-C 3.58Å; G579-M582 WeakPolarHBondContact O-CA 3.49Å; G579-M582 PolarHBondContact O-N 2.75Å | ||
| 580 | R | 81.7 | Confident | 90.7 | Very high | 234 Ų | 234 | 52.3 Ų | 52.3 | 88% | 0.883 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -128.9 | 109.5 | 174.1 | -66 | -171.8 | -177.9 | -152.2 | 2.7 | 109.2 | ||
| 581 | P | 88.2 | Confident | 90.7 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | S | Bend | cis | -66.1 | 153.8 | -3.5 | 31.1 | -35.5 | 0 | 0 | 0 | 112.1 | N487 G579 L583 | N487-P581 PolarHBondContact ND2-O 2.88Å; G579-P581 CarbonylContact C-O 3.58Å; G579-P581 CarbonylContact O-C 3.58Å; P581-L583 HydrophobicContact CG-CD2 4.49Å; P581-L583 PolarHBondContact O-N 2.87Å |
| 582 | M | 89.3 | Confident | 90.6 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 120.9 | 176.1 | 179.4 | 178.6 | -179.8 | 0 | 0 | 109.3 | Y529 S576 D577 G579 | Y529-M582 HydrophobicContact CD2-CE 4.12Å; S576-M582 WeakPolarHBondContact OG-CE 3.39Å; D577-M582 WeakPolarHBondContact O-CE 3.35Å; D577-M582 WeakPolarHBondContact O-CG 3.46Å; D577-M582 VanDerWaalsContact OD1-CA 3.28Å; D577-M582 WeakPolarHBondContact OD1-CA 3.15Å; G579-M582 WeakPolarHBondContact O-CA 3.49Å; G579-M582 PolarHBondContact O-N 2.75Å |
| 583 | L | 92.9 | Very high | 90.3 | Very high | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 153.9 | 176.7 | -57.1 | 175.5 | 0 | 0 | 0 | 110.4 | N487 D488 N489 A490 S576 D577 P581 | N487-L583 WeakPolarHBondContact O-CD1 3.32Å; D488-L583 VanDerWaalsContact C-CD1 3.42Å; D488-L583 WeakPolarHBondContact O-CD1 2.9Å; N489-L583 WeakPolarHBondContact O-CD1 3.22Å; A490-L583 HydrophobicContact CB-CB 3.91Å; S576-L583 VanDerWaalsContact CA-O 3.31Å; S576-L583 WeakPolarHBondContact CA-O 3.15Å; D577-L583 PolarHBondContact N-O 2.87Å; D577-L583 PolarHBondContact OD1-N 2.84Å; D577-L583 WeakPolarHBondContact OD2-CA 3.49Å; D577-L583 VanDerWaalsContact OD2-CB 3.22Å; D577-L583 WeakPolarHBondContact OD2-CB 3.48Å; D577-L583 PolarHBondContact OD2-N 2.87Å; P581-L583 HydrophobicContact CG-CD2 4.49Å; P581-L583 PolarHBondContact O-N 2.87Å |
| 584 | S | 93.1 | Very high | 89.9 | Confident | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 140.9 | -178.1 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | I575 | I575-S584 CarbonylContact O-C 3.52Å; I575-S584 WeakPolarHBondContact O-CA 3.39Å; I575-S584 WeakPolarHBondContact O-CB 3.48Å |
| 585 | S | 93.9 | Very high | 89.2 | Confident | 30 Ų | 30 | 45.9 Ų | 45.9 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 154 | 175.9 | 93.7 | 0 | 0 | 0 | 0 | 110.1 | P491 I575 | P491-S585 VanDerWaalsContact O-CB 3.31Å; P491-S585 WeakPolarHBondContact O-CB 3.35Å; P491-S585 PolarHBondContact O-OG 3.08Å; I575-S585 PolarHBondContact N-O 2.88Å; I575-S585 PolarHBondContact O-N 2.72Å |
| 586 | T | 92.6 | Very high | 88.4 | Confident | 82 Ų | 82 | 47.1 Ų | 47.1 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.7 | 176 | -57.8 | 0 | 0 | 0 | 0 | 109.7 | A533 P572 I573 | A533-T586 HydrophobicContact CB-CG2 4.2Å; P572-T586 HydrophobicContact CB-CG2 3.85Å; I573-T586 CarbonylContact O-C 3.56Å; I573-T586 WeakPolarHBondContact O-CA 3.47Å |
| 587 | G | 90.5 | Very high | 87.4 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 146.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I573 | I573-G587 PolarHBondContact N-O 3.36Å; I573-G587 PolarHBondContact O-N 2.88Å |
| 588 | T | 91.4 | Very high | 86.2 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.8 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | P572 | P572-T588 HydrophobicContact CB-CG2 4.26Å |
| 589 | L | 91.8 | Very high | 85 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.8 | 172.7 | 173.2 | 71.2 | 0 | 0 | 0 | 109.5 | Y497 A499 V514 I554 L571 I573 V591 | Y497-L589 VanDerWaalsContact CB-CD1 3.41Å; Y497-L589 WeakPolarHBondContact O-CD1 3.31Å; A499-L589 HydrophobicContact CB-CD1 4.11Å; A499-L589 HydrophobicContact CB-CD2 4.45Å; A499-L589 HydrophobicContact CB-CG 4.46Å; V514-L589 HydrophobicContact CG1-CD1 4.42Å; I554-L589 HydrophobicContact CB-CD2 4.19Å; I554-L589 HydrophobicContact CD1-CD2 4.43Å; I554-L589 HydrophobicContact CG1-CD2 3.77Å; I554-L589 HydrophobicContact CG2-CD2 3.82Å; L571-L589 HydrophobicContact CB-CB 4.3Å; L571-L589 HydrophobicContact CD2-CD2 4.33Å; L571-L589 PolarHBondContact N-O 2.85Å; L571-L589 PolarHBondContact O-N 2.78Å; I573-L589 HydrophobicContact CD1-CB 3.88Å; I573-L589 HydrophobicContact CD1-CD2 4.19Å; L589-V591 HydrophobicContact CD2-CG2 4.06Å; L589-V591 HydrophobicContact CG-CG2 4.01Å |
| 590 | T | 91.1 | Very high | 84 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.9 | 172.4 | 54.7 | 0 | 0 | 0 | 0 | 109.6 | F496 Y497 E498 A499 Y570 | F496-T590 HydrophobicContact CZ-CG2 4.13Å; Y497-T590 PolarHBondContact O-OG1 2.92Å; E498-T590 WeakPolarHBondContact CA-O 3.41Å; E498-T590 WeakPolarHBondContact CG-OG1 3.26Å; A499-T590 PolarHBondContact N-O 3.24Å; Y570-T590 HydrophobicContact CD1-CG2 3.78Å; Y570-T590 HydrophobicContact CE1-CG2 3.71Å |
| 591 | V | 89.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.7 | 179 | -169.6 | 0 | 0 | 0 | 0 | 109.2 | A499 V501 F542 T568 F569 L589 | A499-V591 HydrophobicContact CB-CG1 4.32Å; A499-V591 HydrophobicContact CB-CG2 4.23Å; A499-V591 CarbonylContact O-C 3.56Å; A499-V591 VanDerWaalsContact O-CA 3.29Å; A499-V591 WeakPolarHBondContact O-CA 3.27Å; V501-V591 HydrophobicContact CB-CG1 4.23Å; V501-V591 HydrophobicContact CG2-CG1 3.31Å; F542-V591 HydrophobicContact CE1-CG1 3.97Å; F542-V591 HydrophobicContact CE2-CB 4.36Å; F542-V591 HydrophobicContact CE2-CG1 4.44Å; F542-V591 HydrophobicContact CE2-CG2 4.41Å; F542-V591 HydrophobicContact CZ-CB 4.08Å; F542-V591 HydrophobicContact CZ-CG1 3.69Å; F542-V591 HydrophobicContact CZ-CG2 4.38Å; T568-V591 CarbonylContact C-O 3.57Å; T568-V591 WeakPolarHBondContact CA-O 3.35Å; F569-V591 HydrophobicContact CB-CB 4.25Å; F569-V591 PolarHBondContact N-O 3.21Å; F569-V591 PolarHBondContact O-N 2.88Å; L589-V591 HydrophobicContact CD2-CG2 4.06Å; L589-V591 HydrophobicContact CG-CG2 4.01Å |
| 592 | H | 88.1 | Confident | 82.3 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132.4 | 178.5 | -66.3 | -66 | 0 | 0 | 0 | 111.1 | A499 F500 V501 N567 T568 | A499-H592 PolarHBondContact O-N 2.91Å; F500-H592 CarbonylContact C-O 3.57Å; F500-H592 WeakPolarHBondContact CA-O 3.11Å; F500-H592 HydrophobicContact CD1-CB 3.74Å; F500-H592 HydrophobicContact CE1-CB 3.98Å; F500-H592 AromaticContact CE1-CD2 3.91Å; V501-H592 PolarHBondContact N-O 2.74Å; N567-H592 WeakPolarHBondContact O-CA 3.22Å; T568-H592 PolarHBondContact OG1-CE1 3.13Å; T568-H592 PolarHBondContact OG1-ND1 2.93Å; T568-H592 VanDerWaalsContact OG1-ND1 3.1Å |
| 593 | V | 87.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125.1 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | V501 E503 F561 Q563 N567 F569 | V501-V593 CarbonylContact O-C 3.58Å; V501-V593 VanDerWaalsContact O-CA 3.31Å; V501-V593 WeakPolarHBondContact O-CA 3.12Å; E503-V593 HydrophobicContact CG-CG1 3.94Å; F561-V593 HydrophobicContact CB-CG1 3.87Å; F561-V593 HydrophobicContact CB-CG2 4.28Å; F561-V593 HydrophobicContact CD1-CG2 4.38Å; Q563-V593 HydrophobicContact CB-CG1 4.19Å; Q563-V593 WeakPolarHBondContact CG-O 3.38Å; N567-V593 PolarHBondContact O-N 3.29Å; F569-V593 HydrophobicContact CD2-CG2 4.03Å; F569-V593 HydrophobicContact CE2-CG2 3.57Å |
| 594 | C | 82.8 | Confident | 80 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153.1 | -177 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | V501 C502 E503 V602 C605 | V501-C594 PolarHBondContact O-N 3.49Å; C502-C594 WeakPolarHBondContact CA-O 3.43Å; E503-C594 PolarHBondContact N-O 3.04Å; E503-C594 VanDerWaalsContact N-O 3.1Å; C594-V602 HydrophobicContact CB-CG1 3.63Å; C594-C605 HydrophobicContact CB-CB 3.92Å; C594-C605 WeakPolarHBondContact CB-SG 3.34Å; C594-C605 WeakPolarHBondContact SG-CA 3.3Å; C594-C605 WeakPolarHBondContact SG-CB 3.34Å; C594-C605 CovalentContact SG-SG 2.02Å; C594-C605 PolarHBondContact SG-SG 2.88Å |
| 595 | S | 78.4 | Confident | 78.7 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 139 | 166.3 | 59.6 | 0 | 0 | 0 | 0 | 109.8 | M603 S604 | S595-M603 PolarHBondContact O-N 3.48Å; S595-S604 PolarHBondContact N-O 2.78Å; S595-S604 PolarHBondContact O-N 2.87Å; S595-S604 WeakPolarHBondContact OG-CB 3.43Å; S595-S604 PolarHBondContact OG-N 3.28Å; S595-S604 PolarHBondContact OG-O 2.96Å |
| 596 | C | 76.3 | Confident | 77 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.1 | -175.3 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | C502 M601 | C502-C596 WeakPolarHBondContact CA-SG 3.39Å; C502-C596 HydrophobicContact CB-CB 3.58Å; C502-C596 WeakPolarHBondContact CB-SG 3.41Å; C502-C596 WeakPolarHBondContact SG-CB 3.15Å; C502-C596 CovalentContact SG-SG 2.02Å; C502-C596 PolarHBondContact SG-SG 2.9Å; C596-M601 CarbonylContact C-O 3.6Å; C596-M601 WeakPolarHBondContact CA-O 3.33Å; C596-M601 VanDerWaalsContact CB-O 3.27Å; C596-M601 WeakPolarHBondContact CB-O 3.16Å |
| 597 | D | 72 | Confident | 75 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | trans | -77.2 | 177.8 | 174.4 | 68.4 | 15.5 | 0 | 0 | 0 | 112.6 | N504 D599 G600 M601 M603 | N504-D597 PolarHBondContact ND2-O 2.78Å; D597-D599 PolarHBondContact O-N 3.41Å; D597-D599 WeakPolarHBondContact OD1-CA 3.32Å; D597-D599 PolarHBondContact OD1-N 2.88Å; D597-G600 PolarHBondContact O-N 2.82Å; D597-G600 PolarHBondContact OD1-N 2.81Å; D597-M601 PolarHBondContact N-O 3.26Å; D597-M601 PolarHBondContact OD1-N 3.44Å; D597-M603 HydrophobicContact CB-CG 4.13Å; D597-M603 HydrophobicContact CB-SD 3.81Å | ||
| 598 | D | 67.1 | Low | 72.9 | Confident | 167 Ų | 167 | 64 Ų | 64 | 89% | 0.893 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -19.8 | -179.7 | -70.9 | -36.1 | 0 | 0 | 0 | 113.2 | G600 | D598-G600 VanDerWaalsContact C-N 3.35Š|
| 599 | D | 63.8 | Low | 70.3 | Confident | 148 Ų | 148 | 64 Ų | 64 | 79% | 0.791 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.9 | 175.6 | -70.1 | -40.8 | 0 | 0 | 0 | 112.5 | D597 | D597-D599 PolarHBondContact O-N 3.41Å; D597-D599 WeakPolarHBondContact OD1-CA 3.32Å; D597-D599 PolarHBondContact OD1-N 2.88Å |
| 600 | G | 62.3 | Low | 67.8 | Low | 31 Ų | 31 | 74.3 Ų | 74.3 | 32% | 0.32 | 41% | 0.413 | S | S | . | . | trans | 80.6 | 17.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | C502 D597 D598 | C502-G600 PolarHBondContact SG-O 2.84Å; D597-G600 PolarHBondContact O-N 2.82Å; D597-G600 PolarHBondContact OD1-N 2.81Å; D598-G600 VanDerWaalsContact C-N 3.35Å | ||
| 601 | M | 65.3 | Low | 65.5 | Low | 130 Ų | 130 | 80.1 Ų | 80.1 | 64% | 0.64 | 45% | 0.449 | S | S | * | . | trans | -88.5 | 138 | 176 | -63.4 | -71.9 | -86.9 | 0 | 0 | 110.4 | C596 D597 M603 | C596-M601 CarbonylContact C-O 3.6Å; C596-M601 WeakPolarHBondContact CA-O 3.33Å; C596-M601 VanDerWaalsContact CB-O 3.27Å; C596-M601 WeakPolarHBondContact CB-O 3.16Å; D597-M601 PolarHBondContact N-O 3.26Å; D597-M601 PolarHBondContact OD1-N 3.44Å; M601-M603 PolarHBondContact O-N 2.66Å | ||
| 602 | V | 69.9 | Low | 63.2 | Low | 73 Ų | 73 | 86.6 Ų | 86.6 | 44% | 0.442 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.6 | -174.3 | 178.6 | 0 | 0 | 0 | 0 | 111 | F500 C594 C605 | F500-V602 HydrophobicContact CB-CG2 4.3Å; C594-V602 HydrophobicContact CB-CG1 3.63Å; V602-C605 WeakPolarHBondContact CG1-SG 3.47Å |
| 603 | M | 67.6 | Low | 61.2 | Low | 139 Ų | 139 | 89.7 Ų | 89.7 | 69% | 0.685 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -46.1 | -179.5 | -66.1 | -169.6 | 81.7 | 0 | 0 | 113.1 | S595 D597 M601 | S595-M603 PolarHBondContact O-N 3.48Å; D597-M603 HydrophobicContact CB-CG 4.13Å; D597-M603 HydrophobicContact CB-SD 3.81Å; M601-M603 PolarHBondContact O-N 2.66Å |
| 604 | S | 66.1 | Low | 59.7 | Low | 39 Ų | 39 | 95.3 Ų | 95.3 | 27% | 0.273 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 120.7 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | S595 T606 | S595-S604 PolarHBondContact N-O 2.78Å; S595-S604 PolarHBondContact O-N 2.87Å; S595-S604 WeakPolarHBondContact OG-CB 3.43Å; S595-S604 PolarHBondContact OG-N 3.28Å; S595-S604 PolarHBondContact OG-O 2.96Å; S604-T606 PolarHBondContact OG-O 2.9Å; S604-T606 PolarHBondContact OG-OG1 3.38Å |
| 605 | C | 65.1 | Low | 58.4 | Low | 44 Ų | 44 | 100.3 Ų | 100.3 | 30% | 0.297 | 58% | 0.576 | S | S | . | * | trans | -99.7 | -14.5 | 176.8 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | F500 Q563 C594 V602 A607 | F500-C605 HydrophobicContact CD1-CB 4.47Å; F500-C605 WeakPolarHBondContact CD1-SG 3.21Å; F500-C605 HydrophobicContact CE1-CB 4.5Å; Q563-C605 PolarHBondContact NE2-O 2.9Å; C594-C605 HydrophobicContact CB-CB 3.92Å; C594-C605 WeakPolarHBondContact CB-SG 3.34Å; C594-C605 WeakPolarHBondContact SG-CA 3.3Å; C594-C605 WeakPolarHBondContact SG-CB 3.34Å; C594-C605 CovalentContact SG-SG 2.02Å; C594-C605 PolarHBondContact SG-SG 2.88Å; V602-C605 WeakPolarHBondContact CG1-SG 3.47Å; C605-A607 PolarHBondContact O-N 3.45Å | ||
| 606 | T | 58.5 | Low | 57.5 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -77.3 | 122.7 | 175.9 | 51 | 0 | 0 | 0 | 0 | 107.9 | S604 E608 | S604-T606 PolarHBondContact OG-O 2.9Å; S604-T606 PolarHBondContact OG-OG1 3.38Å; T606-E608 PolarHBondContact O-N 3.41Å; T606-E608 VanDerWaalsContact O-N 3.08Å |
| 607 | A | 49.8 | Very low | 57.3 | Low | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | trans | -52.7 | 121.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 105.6 | C605 A609 | C605-A607 PolarHBondContact O-N 3.45Å; A607-A609 PolarHBondContact O-N 2.91Å | ||
| 608 | E | 47.3 | Very low | 57.2 | Low | 166 Ų | 166 | 112.8 Ų | 112.8 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -61.7 | 81.8 | 165.7 | -71.7 | -173.5 | 169.5 | 0 | 0 | 106.7 | T606 Y610 | T606-E608 PolarHBondContact O-N 3.41Å; T606-E608 VanDerWaalsContact O-N 3.08Å; E608-Y610 VanDerWaalsContact C-N 3.28Å; E608-Y610 PolarHBondContact O-N 2.82Å | ||
| 609 | A | 36.1 | Very low | 57.5 | Low | 76 Ų | 76 | 107 Ų | 107 | 63% | 0.628 | 61% | 0.607 | S | S | * | * | trans | -58.8 | 107.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 103.1 | A607 V611 | A607-A609 PolarHBondContact O-N 2.91Å; A609-V611 WeakPolarHBondContact O-CG2 3.22Å; A609-V611 PolarHBondContact O-N 3.09Å | ||
| 610 | Y | 39.5 | Very low | 57.7 | Low | 215 Ų | 215 | 101.7 Ų | 101.7 | 84% | 0.843 | 59% | 0.585 | S | S | * | * | trans | -43.5 | 100.4 | 163.9 | -84.8 | -98.3 | 0 | 0 | 0 | 106.7 | E608 L612 | E608-Y610 VanDerWaalsContact C-N 3.28Å; E608-Y610 PolarHBondContact O-N 2.82Å; Y610-L612 PolarHBondContact O-N 3.26Å | ||
| 611 | V | 42.4 | Very low | 58.2 | Low | 133 Ų | 133 | 104.7 Ų | 104.7 | 81% | 0.806 | 59% | 0.593 | S | S | * | * | trans | -73.7 | 81.3 | 169.9 | -163.9 | 0 | 0 | 0 | 0 | 103.2 | A609 | A609-V611 WeakPolarHBondContact O-CG2 3.22Å; A609-V611 PolarHBondContact O-N 3.09Å | ||
| 612 | L | 40.6 | Very low | 58.7 | Low | 136 Ų | 136 | 104 Ų | 104 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | trans | -47.3 | 124.6 | 151.6 | -81.7 | 162 | 0 | 0 | 0 | 104.2 | Y610 V614 | Y610-L612 PolarHBondContact O-N 3.26Å; L612-V614 VanDerWaalsContact C-N 3.27Å; L612-V614 PolarHBondContact O-N 2.71Å | ||
| 613 | P | 47.2 | Very low | 59.1 | Low | 112 Ų | 112 | 103.3 Ų | 103.3 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -58.4 | 105.8 | 172 | 24.2 | -30.1 | 0 | 0 | 0 | 104.8 | S615 | P613-S615 PolarHBondContact O-N 3Š| ||
| 614 | V | 54.5 | Low | 59.6 | Low | 118 Ų | 118 | 100.8 Ų | 100.8 | 72% | 0.715 | 58% | 0.581 | S | S | * | * | trans | -67.6 | 85.9 | 166 | 179.2 | 0 | 0 | 0 | 0 | 103.1 | L612 L616 | L612-V614 VanDerWaalsContact C-N 3.27Å; L612-V614 PolarHBondContact O-N 2.71Å; V614-L616 HydrophobicContact CG1-CD1 4.39Å; V614-L616 PolarHBondContact O-N 3.29Å | ||
| 615 | S | 57 | Low | 60.4 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -59.9 | 101.9 | 161 | 58.8 | 0 | 0 | 0 | 0 | 104.2 | P613 S617 | P613-S615 PolarHBondContact O-N 3Å; S615-S617 PolarHBondContact O-N 3.38Å | ||
| 616 | L | 59.1 | Low | 61.2 | Low | 76 Ų | 76 | 104.5 Ų | 104.5 | 40% | 0.398 | 60% | 0.6 | S | S | . | * | trans | -51.7 | 116.5 | 167.4 | -101.9 | 82.5 | 0 | 0 | 0 | 106.3 | V614 R618 A620 L621 I624 | V614-L616 HydrophobicContact CG1-CD1 4.39Å; V614-L616 PolarHBondContact O-N 3.29Å; L616-R618 PolarHBondContact O-N 2.85Å; L616-A620 HydrophobicContact CB-CB 4.23Å; L616-A620 HydrophobicContact CD2-CB 3.81Å; L616-A620 HydrophobicContact CG-CB 3.91Å; L616-L621 HydrophobicContact CB-CD1 4.3Å; L616-L621 HydrophobicContact CB-CG 4.44Å; L616-L621 HydrophobicContact CD2-CG 4.41Å; L616-I624 HydrophobicContact CD2-CD1 3.4Å; L616-I624 VanDerWaalsContact CD2-CD1 3.4Å | ||
| 617 | S | 71.2 | Confident | 62.4 | Low | 85 Ų | 85 | 103.5 Ų | 103.5 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | trans | -46.4 | 142.2 | 168.3 | 163.1 | 0 | 0 | 0 | 0 | 108.4 | S615 G619 A620 L621 | S615-S617 PolarHBondContact O-N 3.38Å; S617-G619 CarbonylContact O-C 3.6Å; S617-G619 PolarHBondContact O-N 3.42Å; S617-G619 PolarHBondContact OG-N 3.06Å; S617-A620 PolarHBondContact O-N 2.76Å; S617-L621 PolarHBondContact O-N 3.02Å | ||
| 618 | R | 70.8 | Confident | 64.1 | Low | 218 Ų | 218 | 105.4 Ų | 105.4 | 82% | 0.823 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -48.5 | -29.1 | 175.9 | -72.5 | -175.1 | -173.2 | -179.1 | 2.2 | 111.7 | L616 I622 | L616-R618 PolarHBondContact O-N 2.85Å; R618-I622 WeakPolarHBondContact O-CB 3.34Å; R618-I622 WeakPolarHBondContact O-CD1 3.25Å; R618-I622 WeakPolarHBondContact O-CG1 3.38Å; R618-I622 PolarHBondContact O-N 2.76Å |
| 619 | G | 72.3 | Confident | 65.8 | Low | 45 Ų | 45 | 104.3 Ų | 104.3 | 46% | 0.464 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.3 | -38.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | S617 A623 | S617-G619 CarbonylContact O-C 3.6Å; S617-G619 PolarHBondContact O-N 3.42Å; S617-G619 PolarHBondContact OG-N 3.06Å; G619-A623 VanDerWaalsContact O-CB 3.28Å; G619-A623 WeakPolarHBondContact O-CB 3.38Å; G619-A623 PolarHBondContact O-N 3.01Å |
| 620 | A | 67.9 | Low | 68.2 | Low | 38 Ų | 38 | 104.9 Ų | 104.9 | 31% | 0.314 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L616 S617 A623 I624 | L616-A620 HydrophobicContact CB-CB 4.23Å; L616-A620 HydrophobicContact CD2-CB 3.81Å; L616-A620 HydrophobicContact CG-CB 3.91Å; S617-A620 PolarHBondContact O-N 2.76Å; A620-A623 PolarHBondContact O-N 3.21Å; A620-I624 WeakPolarHBondContact O-CB 3.32Å; A620-I624 VanDerWaalsContact O-CG1 3.26Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.84Å |
| 621 | L | 73.3 | Confident | 70.4 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -40.6 | 173.9 | -114.3 | 154.9 | 0 | 0 | 0 | 111.8 | L616 S617 L625 | L616-L621 HydrophobicContact CB-CD1 4.3Å; L616-L621 HydrophobicContact CB-CG 4.44Å; L616-L621 HydrophobicContact CD2-CG 4.41Å; S617-L621 PolarHBondContact O-N 3.02Å; L621-L625 HydrophobicContact CD2-CD1 4.38Å; L621-L625 WeakPolarHBondContact O-CB 3.17Å; L621-L625 PolarHBondContact O-N 3.29Å |
| 622 | I | 77.3 | Confident | 72.4 | Confident | 116 Ų | 116 | 98 Ų | 98 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.4 | -39.4 | 172.7 | -68.1 | 164.6 | 0 | 0 | 0 | 110.9 | R618 L625 A626 | R618-I622 WeakPolarHBondContact O-CB 3.34Å; R618-I622 WeakPolarHBondContact O-CD1 3.25Å; R618-I622 WeakPolarHBondContact O-CG1 3.38Å; R618-I622 PolarHBondContact O-N 2.76Å; I622-L625 PolarHBondContact O-N 2.79Å; I622-A626 WeakPolarHBondContact O-CB 3.24Å; I622-A626 PolarHBondContact O-N 3.25Å |
| 623 | A | 76.7 | Confident | 74.6 | Confident | 57 Ų | 57 | 94.6 Ų | 94.6 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G619 A620 A626 C627 | G619-A623 VanDerWaalsContact O-CB 3.28Å; G619-A623 WeakPolarHBondContact O-CB 3.38Å; G619-A623 PolarHBondContact O-N 3.01Å; A620-A623 PolarHBondContact O-N 3.21Å; A623-A626 PolarHBondContact O-N 3.16Å; A623-C627 VanDerWaalsContact O-CB 3.3Å; A623-C627 WeakPolarHBondContact O-CB 3.36Å; A623-C627 PolarHBondContact O-N 3.47Å |
| 624 | I | 79.5 | Confident | 76.3 | Confident | 87 Ų | 87 | 93.8 Ų | 93.8 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -42.6 | 176 | -67.4 | 169.1 | 0 | 0 | 0 | 110.7 | L616 A620 A626 C627 I628 | L616-I624 HydrophobicContact CD2-CD1 3.4Å; L616-I624 VanDerWaalsContact CD2-CD1 3.4Å; A620-I624 WeakPolarHBondContact O-CB 3.32Å; A620-I624 VanDerWaalsContact O-CG1 3.26Å; A620-I624 WeakPolarHBondContact O-CG1 3.49Å; A620-I624 PolarHBondContact O-N 2.84Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 3.32Å; I624-C627 PolarHBondContact O-N 2.8Å; I624-I628 HydrophobicContact CG2-CD1 3.8Å; I624-I628 HydrophobicContact CG2-CG1 4.37Å; I624-I628 WeakPolarHBondContact O-CB 3.45Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.19Å; I624-I628 PolarHBondContact O-N 2.8Å |
| 625 | L | 81.8 | Confident | 77.6 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -38.5 | 173.1 | -89.9 | 158.2 | 0 | 0 | 0 | 112.1 | L621 I622 F629 | L621-L625 HydrophobicContact CD2-CD1 4.38Å; L621-L625 WeakPolarHBondContact O-CB 3.17Å; L621-L625 PolarHBondContact O-N 3.29Å; I622-L625 PolarHBondContact O-N 2.79Å; L625-F629 VanDerWaalsContact O-CB 3.26Å; L625-F629 WeakPolarHBondContact O-CB 3.28Å; L625-F629 PolarHBondContact O-N 3.47Å |
| 626 | A | 82.3 | Confident | 78.7 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I622 A623 I624 F629 V630 | I622-A626 WeakPolarHBondContact O-CB 3.24Å; I622-A626 PolarHBondContact O-N 3.25Å; A623-A626 PolarHBondContact O-N 3.16Å; I624-A626 VanDerWaalsContact C-N 3.32Å; I624-A626 PolarHBondContact O-N 3.32Å; A626-F629 PolarHBondContact O-N 3.13Å; A626-V630 WeakPolarHBondContact O-CB 3.47Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.84Å |
| 627 | C | 83.8 | Confident | 79.7 | Confident | 80 Ų | 80 | 92.5 Ų | 92.5 | 54% | 0.541 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 177.9 | -143.5 | 0 | 0 | 0 | 0 | 111.5 | A623 I624 V630 L631 | A623-C627 VanDerWaalsContact O-CB 3.3Å; A623-C627 WeakPolarHBondContact O-CB 3.36Å; A623-C627 PolarHBondContact O-N 3.47Å; I624-C627 PolarHBondContact O-N 2.8Å; C627-V630 PolarHBondContact O-N 3.38Å; C627-L631 WeakPolarHBondContact O-CB 3.38Å; C627-L631 PolarHBondContact O-N 2.88Å |
| 628 | I | 84.8 | Confident | 80 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 173.1 | -67.6 | 168.3 | 0 | 0 | 0 | 110.2 | I624 L631 L632 | I624-I628 HydrophobicContact CG2-CD1 3.8Å; I624-I628 HydrophobicContact CG2-CG1 4.37Å; I624-I628 WeakPolarHBondContact O-CB 3.45Å; I624-I628 VanDerWaalsContact O-CG1 3.27Å; I624-I628 WeakPolarHBondContact O-CG1 3.19Å; I624-I628 PolarHBondContact O-N 2.8Å; I628-L631 PolarHBondContact O-N 3.35Å; I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.38Å; I628-L632 PolarHBondContact O-N 3.48Å |
| 629 | F | 84.5 | Confident | 80.2 | Confident | 143 Ų | 143 | 86.9 Ų | 86.9 | 63% | 0.627 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 175.7 | -173 | -97.6 | 0 | 0 | 0 | 112 | L625 A626 L632 V633 | L625-F629 VanDerWaalsContact O-CB 3.26Å; L625-F629 WeakPolarHBondContact O-CB 3.28Å; L625-F629 PolarHBondContact O-N 3.47Å; A626-F629 PolarHBondContact O-N 3.13Å; F629-L632 PolarHBondContact O-N 2.83Å; F629-V633 HydrophobicContact CD1-CG2 4.21Å; F629-V633 HydrophobicContact CE1-CG2 3.92Å; F629-V633 HydrophobicContact CZ-CG2 4.24Å; F629-V633 WeakPolarHBondContact O-CB 3.43Å; F629-V633 VanDerWaalsContact O-CG2 3.29Å; F629-V633 WeakPolarHBondContact O-CG2 3.26Å; F629-V633 PolarHBondContact O-N 2.78Å |
| 630 | V | 86.1 | Confident | 80.1 | Confident | 89 Ų | 89 | 87.5 Ų | 87.5 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A626 C627 L632 V633 L634 | A626-V630 WeakPolarHBondContact O-CB 3.47Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.84Å; C627-V630 PolarHBondContact O-N 3.38Å; V630-L632 VanDerWaalsContact C-N 3.35Å; V630-V633 PolarHBondContact O-N 3.16Å; V630-L634 VanDerWaalsContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CB 3.18Å; V630-L634 PolarHBondContact O-N 3.23Å |
| 631 | L | 85.6 | Confident | 80 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 174 | -100.8 | 160.5 | 0 | 0 | 0 | 112 | C627 I628 L634 V635 | C627-L631 WeakPolarHBondContact O-CB 3.38Å; C627-L631 PolarHBondContact O-N 2.88Å; I628-L631 PolarHBondContact O-N 3.35Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-V635 WeakPolarHBondContact O-CB 3.25Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.14Å; L631-V635 PolarHBondContact O-N 2.89Å |
| 632 | L | 84.8 | Confident | 79.5 | Confident | 100 Ų | 100 | 95.4 Ų | 95.4 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 179 | -146 | 156.2 | 0 | 0 | 0 | 111.1 | I628 F629 V630 L636 | I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.38Å; I628-L632 PolarHBondContact O-N 3.48Å; F629-L632 PolarHBondContact O-N 2.83Å; V630-L632 VanDerWaalsContact C-N 3.35Å; L632-L636 HydrophobicContact CD2-CD1 3.74Å; L632-L636 HydrophobicContact CD2-CG 4.21Å; L632-L636 WeakPolarHBondContact O-CB 3.27Å; L632-L636 VanDerWaalsContact O-CG 3.3Å; L632-L636 WeakPolarHBondContact O-CG 3.35Å; L632-L636 PolarHBondContact O-N 2.89Å |
| 633 | V | 85.3 | Confident | 78.6 | Confident | 64 Ų | 64 | 100.5 Ų | 100.5 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 169.4 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | F629 V630 L636 L637 | F629-V633 HydrophobicContact CD1-CG2 4.21Å; F629-V633 HydrophobicContact CE1-CG2 3.92Å; F629-V633 HydrophobicContact CZ-CG2 4.24Å; F629-V633 WeakPolarHBondContact O-CB 3.43Å; F629-V633 VanDerWaalsContact O-CG2 3.29Å; F629-V633 WeakPolarHBondContact O-CG2 3.26Å; F629-V633 PolarHBondContact O-N 2.78Å; V630-V633 PolarHBondContact O-N 3.16Å; V633-L636 PolarHBondContact O-N 3.49Å; V633-L637 WeakPolarHBondContact O-CB 3.23Å; V633-L637 PolarHBondContact O-N 2.96Å |
| 634 | L | 83.1 | Confident | 77.4 | Confident | 95 Ų | 95 | 104.6 Ų | 104.6 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 179.7 | -158.2 | 122.1 | 0 | 0 | 0 | 112.1 | V630 L631 L637 I638 | V630-L634 VanDerWaalsContact O-CB 3.3Å; V630-L634 WeakPolarHBondContact O-CB 3.18Å; V630-L634 PolarHBondContact O-N 3.23Å; L631-L634 PolarHBondContact O-N 2.91Å; L634-L637 WeakPolarHBondContact O-CB 3.32Å; L634-L637 PolarHBondContact O-N 2.88Å; L634-I638 HydrophobicContact CD2-CD1 3.76Å; L634-I638 WeakPolarHBondContact O-CB 3.5Å; L634-I638 VanDerWaalsContact O-CG1 3.24Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 2.67Å |
| 635 | V | 83.5 | Confident | 76.1 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 172.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | L631 L637 I638 L639 | L631-V635 WeakPolarHBondContact O-CB 3.25Å; L631-V635 VanDerWaalsContact O-CG2 3.26Å; L631-V635 WeakPolarHBondContact O-CG2 3.14Å; L631-V635 PolarHBondContact O-N 2.89Å; V635-L637 VanDerWaalsContact C-N 3.31Å; V635-L637 PolarHBondContact O-N 2.88Å; V635-I638 PolarHBondContact O-N 2.85Å; V635-L639 HydrophobicContact CG1-CD1 4.04Å; V635-L639 WeakPolarHBondContact O-CB 3.33Å; V635-L639 VanDerWaalsContact O-CG 3.29Å; V635-L639 WeakPolarHBondContact O-CG 3.45Å; V635-L639 PolarHBondContact O-N 2.78Å |
| 636 | L | 79.4 | Confident | 74.3 | Confident | 103 Ų | 103 | 114.1 Ų | 114.1 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -33.9 | 172.8 | -75.3 | 170.7 | 0 | 0 | 0 | 112.2 | L632 V633 S640 | L632-L636 HydrophobicContact CD2-CD1 3.74Å; L632-L636 HydrophobicContact CD2-CG 4.21Å; L632-L636 WeakPolarHBondContact O-CB 3.27Å; L632-L636 VanDerWaalsContact O-CG 3.3Å; L632-L636 WeakPolarHBondContact O-CG 3.35Å; L632-L636 PolarHBondContact O-N 2.89Å; V633-L636 PolarHBondContact O-N 3.49Å; L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.38Å |
| 637 | L | 79.1 | Confident | 72.2 | Confident | 96 Ų | 96 | 119.3 Ų | 119.3 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -41.6 | 174.1 | -127.6 | 154.3 | 0 | 0 | 0 | 111.4 | V633 L634 V635 S640 M641 | V633-L637 WeakPolarHBondContact O-CB 3.23Å; V633-L637 PolarHBondContact O-N 2.96Å; L634-L637 WeakPolarHBondContact O-CB 3.32Å; L634-L637 PolarHBondContact O-N 2.88Å; V635-L637 VanDerWaalsContact C-N 3.31Å; V635-L637 PolarHBondContact O-N 2.88Å; L637-S640 PolarHBondContact O-N 3.35Å; L637-M641 HydrophobicContact CD2-CG 4.13Å; L637-M641 HydrophobicContact CD2-SD 4.09Å; L637-M641 WeakPolarHBondContact O-CB 3.43Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.37Å; L637-M641 PolarHBondContact O-N 3.47Å |
| 638 | I | 78.9 | Confident | 70.2 | Confident | 90 Ų | 90 | 121.6 Ų | 121.6 | 46% | 0.462 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.3 | -40.3 | 174.6 | -70.2 | 166.2 | 0 | 0 | 0 | 110.8 | L634 V635 M641 R642 | L634-I638 HydrophobicContact CD2-CD1 3.76Å; L634-I638 WeakPolarHBondContact O-CB 3.5Å; L634-I638 VanDerWaalsContact O-CG1 3.24Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 2.67Å; V635-I638 PolarHBondContact O-N 2.85Å; I638-M641 PolarHBondContact O-N 2.91Å; I638-R642 WeakPolarHBondContact O-CB 3.48Å; I638-R642 PolarHBondContact O-N 2.89Å |
| 639 | L | 74.2 | Confident | 68.1 | Low | 94 Ų | 94 | 127.4 Ų | 127.4 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.2 | -36.9 | 175.5 | -71.5 | 171.2 | 0 | 0 | 0 | 112.3 | V635 R643 | V635-L639 HydrophobicContact CG1-CD1 4.04Å; V635-L639 WeakPolarHBondContact O-CB 3.33Å; V635-L639 VanDerWaalsContact O-CG 3.29Å; V635-L639 WeakPolarHBondContact O-CG 3.45Å; V635-L639 PolarHBondContact O-N 2.78Å; L639-R643 PolarHBondContact O-N 2.89Å; L639-R643 VanDerWaalsContact O-N 3.08Å |
| 640 | S | 69.5 | Low | 66.1 | Low | 58 Ų | 58 | 127.6 Ų | 127.6 | 41% | 0.406 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.7 | -43.5 | 172.4 | 174.8 | 0 | 0 | 0 | 0 | 112 | L636 L637 R643 H644 | L636-S640 WeakPolarHBondContact O-CB 3.45Å; L636-S640 PolarHBondContact O-N 3.38Å; L637-S640 PolarHBondContact O-N 3.35Å; S640-R643 CarbonylContact O-C 3.5Å; S640-R643 WeakPolarHBondContact O-CA 3.5Å; S640-R643 WeakPolarHBondContact O-CB 3.33Å; S640-R643 PolarHBondContact O-N 3.04Å; S640-R643 VanDerWaalsContact O-N 3.12Å; S640-H644 PolarHBondContact O-N 3.14Å |
| 641 | M | 67.3 | Low | 63.8 | Low | 100 Ų | 100 | 130.4 Ų | 130.4 | 49% | 0.493 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -33.6 | 175.6 | -75 | -168.8 | 68 | 0 | 0 | 112.8 | L637 I638 R643 H644 R645 | L637-M641 HydrophobicContact CD2-CG 4.13Å; L637-M641 HydrophobicContact CD2-SD 4.09Å; L637-M641 WeakPolarHBondContact O-CB 3.43Å; L637-M641 VanDerWaalsContact O-CG 3.3Å; L637-M641 WeakPolarHBondContact O-CG 3.37Å; L637-M641 PolarHBondContact O-N 3.47Å; I638-M641 PolarHBondContact O-N 2.91Å; M641-R643 VanDerWaalsContact C-N 3.29Å; M641-H644 PolarHBondContact O-N 2.88Å; M641-R645 PolarHBondContact O-N 2.92Å |
| 642 | R | 62.8 | Low | 61.5 | Low | 199 Ų | 199 | 133 Ų | 133 | 75% | 0.751 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.6 | -31.1 | 169.2 | -94.7 | -174 | 169 | -175.3 | -2.5 | 112.2 | I638 | I638-R642 WeakPolarHBondContact O-CB 3.48Å; I638-R642 PolarHBondContact O-N 2.89Å |
| 643 | R | 58.1 | Low | 59.1 | Low | 222 Ų | 222 | 137.2 Ų | 137.2 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.8 | -28 | 172.4 | -94 | -177 | 170.8 | -178.3 | -2.4 | 113.6 | L639 S640 M641 | L639-R643 PolarHBondContact O-N 2.89Å; L639-R643 VanDerWaalsContact O-N 3.08Å; S640-R643 CarbonylContact O-C 3.5Å; S640-R643 WeakPolarHBondContact O-CA 3.5Å; S640-R643 WeakPolarHBondContact O-CB 3.33Å; S640-R643 PolarHBondContact O-N 3.04Å; S640-R643 VanDerWaalsContact O-N 3.12Å; M641-R643 VanDerWaalsContact C-N 3.29Å |
| 644 | H | 51.6 | Low | 57 | Low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -92 | -4.9 | 178 | -85.1 | -69.9 | 0 | 0 | 0 | 115.5 | S640 M641 K646 | S640-H644 PolarHBondContact O-N 3.14Å; M641-H644 PolarHBondContact O-N 2.88Å; H644-K646 VanDerWaalsContact C-N 3.32Å |
| 645 | R | 51.1 | Low | 55 | Low | 210 Ų | 210 | 147.2 Ų | 147.2 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 19.4 | 171.7 | -86.3 | -168.9 | 177.3 | -178.1 | 0.4 | 114.8 | M641 | M641-R645 PolarHBondContact O-N 2.92Š|
| 646 | K | 44.1 | Very low | 52.7 | Low | 187 Ų | 187 | 150 Ų | 150 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -123 | 75.7 | 165.5 | -70 | -166.8 | 177.8 | -169.8 | 0 | 109.9 | H644 | H644-K646 VanDerWaalsContact C-N 3.32Š| ||
| 647 | Q | 39.4 | Very low | 51.2 | Low | 158 Ų | 158 | 151.5 Ų | 151.5 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -126.2 | 123.1 | 151.2 | -77.4 | -174.7 | -26.2 | 0 | 0 | 106.1 | ||||
| 648 | P | 41.8 | Very low | 49.1 | Very low | 128 Ų | 128 | 155.1 Ų | 155.1 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 140.8 | 176.2 | 27.7 | -30.5 | 0 | 0 | 0 | 110.4 | ||
| 649 | Y | 39 | Very low | 47.2 | Very low | 218 Ų | 218 | 158.6 Ų | 158.6 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 130.4 | 167.3 | -74.3 | -90.3 | 0 | 0 | 0 | 109 | ||
| 650 | V | 43.3 | Very low | 45.4 | Very low | 147 Ų | 147 | 161.5 Ų | 161.5 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 117.7 | 164 | 173.5 | 0 | 0 | 0 | 0 | 107.2 | ||
| 651 | I | 38.6 | Very low | 44.1 | Very low | 149 Ų | 149 | 165.6 Ų | 165.6 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -134.2 | 131.3 | 163.4 | -63 | -178.6 | 0 | 0 | 0 | 107.5 | ||||
| 652 | D | 37.1 | Very low | 42.7 | Very low | 157 Ų | 157 | 166.3 Ų | 166.3 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -39.8 | 133.7 | 177.7 | -103.9 | -40.4 | 0 | 0 | 0 | 114.9 | E654 | D652-E654 PolarHBondContact O-N 3.48Š| ||
| 653 | E | 34.2 | Very low | 41.6 | Very low | 189 Ų | 189 | 167.5 Ų | 167.5 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -82.1 | 92.5 | 163.6 | -71.9 | -172.4 | 166.9 | 0 | 0 | 109.7 | ||||
| 654 | E | 41.6 | Very low | 40.9 | Very low | 184 Ų | 184 | 166.7 Ų | 166.7 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -152.3 | 82.6 | 151.3 | -102.9 | -177.2 | -168.6 | 0 | 0 | 107.4 | D652 | D652-E654 PolarHBondContact O-N 3.48Š| ||
| 655 | E | 39.8 | Very low | 40.3 | Very low | 184 Ų | 184 | 167.8 Ų | 167.8 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 161.2 | 122.8 | 138.9 | -90.6 | 179.7 | 163.9 | 0 | 0 | 112.2 | ||
| 656 | N | 35.5 | Very low | 40 | Very low | 133 Ų | 133 | 165.6 Ų | 165.6 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 77.5 | 89.4 | 150.4 | -82.2 | -32.6 | 0 | 0 | 0 | 121.3 | ||||
| 657 | I | 48.2 | Very low | 40.1 | Very low | 135 Ų | 135 | 165.4 Ų | 165.4 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | 15.4 | 111.4 | 117.5 | 45.9 | 155.8 | 0 | 0 | 0 | 116.5 | |||||
| 658 | H | 35.9 | Very low | 40 | Very low | 171 Ų | 171 | 161.8 Ų | 161.8 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | -165 | 128.3 | 129.2 | -100.9 | -77 | 0 | 0 | 0 | 110.6 | |||||
| 659 | E | 39 | Very low | 39.9 | Very low | 163 Ų | 163 | 159.9 Ų | 159.9 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | 83.2 | 84.9 | 151.2 | -61.2 | -177.7 | -170.5 | 0 | 0 | 120.2 | ||||
| 660 | N | 35.7 | Very low | 39.8 | Very low | 156 Ų | 156 | 153 Ų | 153 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -84.8 | 101.2 | 150 | -115.6 | 4.6 | 0 | 0 | 0 | 108.8 | ||||
| 661 | I | 42.3 | Very low | 39.8 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -102 | 102.5 | 154 | -73.1 | 172.5 | 0 | 0 | 0 | 106.1 | ||||
| 662 | V | 38.4 | Very low | 40 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 70% | 0.697 | 82% | 0.821 | S | S | * | * | trans | -82.1 | 122.9 | 170.8 | 176.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 663 | R | 37.8 | Very low | 40.2 | Very low | 224 Ų | 224 | 156.9 Ų | 156.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -120.7 | 115.1 | 155.3 | -83.2 | -167.1 | -178.6 | -157.3 | 1.3 | 108.5 | ||||
| 664 | Y | 43.4 | Very low | 40.3 | Very low | 205 Ų | 205 | 155 Ų | 155 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 19.3 | 95.4 | 149.6 | -74.7 | -91.2 | 0 | 0 | 0 | 116.9 | ||
| 665 | D | 40.1 | Very low | 40.2 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -153.6 | 28.2 | 142.5 | -87.6 | -28.4 | 0 | 0 | 0 | 110.6 | ||||
| 666 | D | 44.2 | Very low | 39.9 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -125.3 | 36.6 | -176.5 | -119.3 | 8 | 0 | 0 | 0 | 113.2 | ||||
| 667 | E | 45.8 | Very low | 40 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -141.3 | 108.5 | 158.1 | -88.4 | -172.1 | 176.7 | 0 | 0 | 111.1 | ||
| 668 | G | 39.2 | Very low | 39.6 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | 65.9 | 73.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 669 | G | 38.8 | Very low | 40.2 | Very low | 89 Ų | 89 | 153.2 Ų | 153.2 | 92% | 0.918 | 83% | 0.825 | S | S | * | * | trans | -77.4 | 116.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 670 | G | 36.1 | Very low | 40.5 | Very low | 73 Ų | 73 | 149.8 Ų | 149.8 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -179.7 | 58.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 671 | E | 44.6 | Very low | 41 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -131.4 | 127 | 153.3 | -76.7 | -167.5 | 164.3 | 0 | 0 | 109.5 | ||||
| 672 | E | 43.1 | Very low | 41.2 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -72.1 | 160.5 | 174.7 | -75.2 | 174.4 | 139.2 | 0 | 0 | 111.2 | ||||
| 673 | D | 40.1 | Very low | 41.2 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | 84 | 76.9 | 166.7 | -57.7 | -13.9 | 0 | 0 | 0 | 118.9 | ||||
| 674 | T | 37.3 | Very low | 41 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 91% | 0.914 | 84% | 0.838 | S | S | * | * | trans | -138.9 | 97.7 | 140.9 | 49.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 675 | E | 39.5 | Very low | 41.2 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -89.5 | 135.5 | 162.9 | -76.9 | -166.1 | 168.4 | 0 | 0 | 111.6 | ||||
| 676 | A | 33.7 | Very low | 40.9 | Very low | 81 Ų | 81 | 150 Ų | 150 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | trans | 79.7 | 94.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 677 | F | 37.5 | Very low | 40.4 | Very low | 207 Ų | 207 | 151.5 Ų | 151.5 | 91% | 0.908 | 84% | 0.835 | S | S | * | * | -145.6 | 124.1 | 127.7 | -85.6 | -73.2 | 0 | 0 | 0 | 111 | |||||
| 678 | D | 39.2 | Very low | 39.7 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | trans | -78.7 | 121.9 | 178.8 | -176.6 | -1.2 | 0 | 0 | 0 | 110.6 | A680 | D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 2.87Å; D678-A680 VanDerWaalsContact OD1-N 3.12Å | ||
| 679 | I | 48.2 | Very low | 39.4 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -93.8 | 13 | -174.2 | -61.9 | 172.7 | 0 | 0 | 0 | 111.7 | A681 | I679-A681 PolarHBondContact O-N 3.27Š| ||
| 680 | A | 45.3 | Very low | 39.2 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 74% | 0.744 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 36.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D678 | D678-A680 WeakPolarHBondContact OD1-CB 3.46Å; D678-A680 PolarHBondContact OD1-N 2.87Å; D678-A680 VanDerWaalsContact OD1-N 3.12Å |
| 681 | A | 46.1 | Very low | 39 | Very low | 93 Ų | 93 | 156.9 Ų | 156.9 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 19.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | I679 | I679-A681 PolarHBondContact O-N 3.27Š|
| 682 | M | 47.1 | Very low | 38.4 | Very low | 163 Ų | 163 | 153 Ų | 153 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | trans | -135.2 | 47.4 | -179.9 | -81.4 | -166.4 | -73.8 | 0 | 0 | 115.8 | ||||
| 683 | W | 37.5 | Very low | 38 | Very low | 265 Ų | 265 | 152.7 Ų | 152.7 | 100% | 1.004 | 81% | 0.806 | S | S | * | * | trans | -130.7 | 78.4 | 165.9 | -89 | 62.6 | 0 | 0 | 0 | 111.4 | ||||
| 684 | N | 35.1 | Very low | 37.5 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -175.9 | 131.4 | 131.9 | -126.1 | -19.7 | 0 | 0 | 0 | 112.2 | ||||
| 685 | P | 46.7 | Very low | 37.6 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -106.4 | 104.2 | 176.1 | 34.7 | -22.5 | 0 | 0 | 0 | 111.2 | ||||
| 686 | R | 34.7 | Very low | 37.3 | Very low | 226 Ų | 226 | 156.4 Ų | 156.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -153.5 | 122.8 | 158.4 | -72.4 | -163.1 | 177.1 | -178.9 | -2.6 | 111.1 | ||||
| 687 | E | 32.9 | Very low | 37.4 | Very low | 195 Ų | 195 | 158.2 Ų | 158.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | 60.9 | 134.1 | 156.3 | -65.7 | 173.5 | 167.4 | 0 | 0 | 116.5 | ||||
| 688 | A | 31 | Very low | 37.1 | Very low | 81 Ų | 81 | 157 Ų | 157 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | cis | -163.9 | 131.7 | 16.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 689 | Q | 33.9 | Very low | 37 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | 44.5 | 110.6 | 110.8 | -82.1 | 171.2 | -21.2 | 0 | 0 | 116.3 | |||||
| 690 | L | 32.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | 149.4 | 123.1 | 120.8 | -83.8 | 155.1 | 0 | 0 | 0 | 112.9 | |||||
| 691 | V | 32.3 | Very low | 36 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | 81.3 | 96.3 | 141.3 | -175.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 692 | V | 33.3 | Very low | 35.5 | Very low | 117 Ų | 117 | 163.5 Ų | 163.5 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | 49.5 | 127.5 | 112.1 | -177.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 693 | K | 33.7 | Very low | 34.8 | Very low | 176 Ų | 176 | 163.8 Ų | 163.8 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | 93.2 | 117.6 | 146.5 | -91.6 | 170.3 | -175.4 | -178.2 | 0 | 120.7 | ||||
| 694 | N | 30.9 | Very low | 34.8 | Very low | 152 Ų | 152 | 156.1 Ų | 156.1 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 57.3 | 124.5 | 130.6 | -68.9 | 5.5 | 0 | 0 | 0 | 120.9 | ||||
| 695 | R | 37.3 | Very low | 34.6 | Very low | 252 Ų | 252 | 156.7 Ų | 156.7 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -66.4 | 136.9 | 162.2 | -67.8 | -177.3 | -178.7 | -173.5 | 0.6 | 112.1 | ||||
| 696 | Q | 34.3 | Very low | 34.1 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -164.6 | 147.4 | 153.7 | -90.8 | -170.2 | -72.1 | 0 | 0 | 104.2 | ||||
| 697 | D | 34.7 | Very low | 33.9 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | cis | -169.3 | 166.4 | -0.1 | -88.4 | -26.6 | 0 | 0 | 0 | 106.4 | ||||
| 698 | M | 31.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 157.5 Ų | 157.5 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | 151.5 | 96.6 | 122.1 | -78.9 | -163.4 | -162.8 | 0 | 0 | 114.7 | |||||
| 699 | L | 38.3 | Very low | 33.7 | Very low | 160 Ų | 160 | 160 Ų | 160 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | 2.1 | 156.2 | 124.6 | -75.8 | 162.2 | 0 | 0 | 0 | 120.3 | |||||
| 700 | P | 40.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 155.8 Ų | 155.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -137.9 | 142.5 | 74.4 | 24.7 | -1.8 | 0 | 0 | 0 | 115.4 | |||||
| 701 | E | 32.5 | Very low | 34.3 | Very low | 167 Ų | 167 | 156.7 Ų | 156.7 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | 74.7 | 118.1 | 84.1 | -141.5 | 171.3 | -141.7 | 0 | 0 | 113.3 | |||||
| 702 | I | 35.1 | Very low | 34.2 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | -165.7 | 152.1 | 94.6 | -79.3 | 150.6 | 0 | 0 | 0 | 113 | |||||
| 703 | E | 32.4 | Very low | 34.1 | Very low | 169 Ų | 169 | 157.7 Ų | 157.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -49 | 145.2 | -174.4 | -70.3 | 171 | 140.5 | 0 | 0 | 123.3 | ||||
| 704 | S | 36.4 | Very low | 34.2 | Very low | 104 Ų | 104 | 156.1 Ų | 156.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 6.2 | 141.6 | 137.5 | 67.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 705 | L | 31.8 | Very low | 34.8 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | -155.1 | 123.8 | 127.9 | -104.6 | 163 | 0 | 0 | 0 | 111 | |||||
| 706 | S | 34.9 | Very low | 35 | Very low | 108 Ų | 108 | 151.6 Ų | 151.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 142.5 | 170 | 47.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 707 | R | 30.9 | Very low | 35.9 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -152.5 | 117.7 | 151.7 | -146.3 | 177.7 | -78.8 | -178.2 | -3.2 | 111.1 | ||||
| 708 | Y | 29.4 | Very low | 36.7 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -97.3 | 138.2 | 167.3 | -162.9 | -90.2 | 0 | 0 | 0 | 107.8 | ||||
| 709 | V | 31.5 | Very low | 38.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | -170.8 | 169.5 | 126.5 | -136.6 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 710 | P | 43.8 | Very low | 39.1 | Very low | 91 Ų | 91 | 145.2 Ų | 145.2 | 59% | 0.591 | 77% | 0.772 | S | S | * | * | -125.2 | 171 | -106.9 | 42.8 | -23.7 | 0 | 0 | 0 | 116.3 | |||||
| 711 | Q | 35.4 | Very low | 40 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | 15 | 137.7 | 154.5 | -67.9 | -177.8 | -32.2 | 0 | 0 | 121.9 | ||||
| 712 | T | 28.8 | Very low | 41.5 | Very low | 141 Ų | 141 | 143 Ų | 143 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | -156.7 | 137.3 | 112 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 713 | C | 32.9 | Very low | 42.6 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -56.9 | 150.9 | 166.8 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 714 | V | 35.8 | Very low | 44.1 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | -159 | 136.6 | 118.1 | 170.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 715 | M | 42.7 | Very low | 45.2 | Very low | 168 Ų | 168 | 133 Ų | 133 | 83% | 0.828 | 70% | 0.704 | S | S | * | * | trans | -62.9 | 134.7 | 172.2 | -71.3 | -87.8 | -175.9 | 0 | 0 | 112.1 | ||||
| 716 | D | 40.7 | Very low | 46.6 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -156.7 | 125.4 | 136.6 | -137.1 | -10.5 | 0 | 0 | 0 | 111.5 | N718 | D716-N718 PolarHBondContact O-N 3.01Š| ||
| 717 | N | 53 | Low | 47.9 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -81.8 | 77.8 | -174.6 | -90.9 | -14.1 | 0 | 0 | 0 | 110.8 | ||||
| 718 | N | 52.6 | Low | 49.2 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | trans | -148 | 114.5 | 168.8 | -143.4 | -12.4 | 0 | 0 | 0 | 112.1 | D716 H720 N721 | D716-N718 PolarHBondContact O-N 3.01Å; N718-H720 PolarHBondContact O-N 3.13Å; N718-N721 PolarHBondContact O-N 3.23Å | ||
| 719 | V | 60.8 | Low | 50.6 | Low | 114 Ų | 114 | 121.8 Ų | 121.8 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -55.1 | -29.1 | 179.8 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | N721 Y722 V723 | V719-N721 PolarHBondContact O-N 3.18Å; V719-Y722 PolarHBondContact O-N 3.48Å; V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 WeakPolarHBondContact O-CG2 3.42Å; V719-V723 PolarHBondContact O-N 3.21Å; V719-V723 VanDerWaalsContact O-N 3.08Å |
| 720 | H | 58.3 | Low | 51.8 | Low | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59 | -41.7 | 176.5 | -168.3 | 71 | 0 | 0 | 0 | 113.6 | N718 L724 | N718-H720 PolarHBondContact O-N 3.13Å; H720-L724 PolarHBondContact O-N 2.96Å; H720-L724 VanDerWaalsContact O-N 3.13Å |
| 721 | N | 60.8 | Low | 52.3 | Low | 84 Ų | 84 | 120 Ų | 120 | 45% | 0.449 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -77.2 | -28.7 | -179.6 | -73.8 | -16.1 | 0 | 0 | 0 | 112.2 | N718 V719 A725 | N718-N721 PolarHBondContact O-N 3.23Å; V719-N721 PolarHBondContact O-N 3.18Å; N721-A725 WeakPolarHBondContact O-CB 3.37Å; N721-A725 PolarHBondContact O-N 3.36Å |
| 722 | Y | 63.1 | Low | 53.1 | Low | 154 Ų | 154 | 117.6 Ų | 117.6 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.1 | -42.8 | 172.6 | 179.4 | -97 | 0 | 0 | 0 | 111.7 | V719 A725 K726 | V719-Y722 PolarHBondContact O-N 3.48Å; Y722-A725 PolarHBondContact O-N 2.82Å; Y722-K726 HydrophobicContact CE1-CG 4.14Å; Y722-K726 WeakPolarHBondContact O-CG 3.15Å; Y722-K726 PolarHBondContact O-N 3.18Å |
| 723 | V | 59.5 | Low | 54.5 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -42.3 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | V719 A725 K726 L727 | V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 WeakPolarHBondContact O-CG2 3.42Å; V719-V723 PolarHBondContact O-N 3.21Å; V719-V723 VanDerWaalsContact O-N 3.08Å; V723-A725 PolarHBondContact O-N 2.59Å; V723-K726 PolarHBondContact O-N 3.44Å; V723-L727 HydrophobicContact CG1-CD1 4.35Å; V723-L727 PolarHBondContact O-N 2.72Å |
| 724 | L | 63.4 | Low | 55.4 | Low | 91 Ų | 91 | 117.4 Ų | 117.4 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 175.7 | -77.7 | 166.7 | 0 | 0 | 0 | 112.9 | H720 L727 Y728 | H720-L724 PolarHBondContact O-N 2.96Å; H720-L724 VanDerWaalsContact O-N 3.13Å; L724-L727 PolarHBondContact O-N 3.09Å; L724-Y728 PolarHBondContact O-N 2.97Å |
| 725 | A | 58.4 | Low | 56.2 | Low | 58 Ų | 58 | 121.9 Ų | 121.9 | 48% | 0.479 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -38 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | N721 Y722 V723 Y728 E729 | N721-A725 WeakPolarHBondContact O-CB 3.37Å; N721-A725 PolarHBondContact O-N 3.36Å; Y722-A725 PolarHBondContact O-N 2.82Å; V723-A725 PolarHBondContact O-N 2.59Å; A725-Y728 PolarHBondContact O-N 2.89Å; A725-E729 PolarHBondContact O-N 3.45Å; A725-E729 VanDerWaalsContact O-N 3.1Å |
| 726 | K | 61.5 | Low | 56.6 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 43% | 0.43 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.3 | -33.6 | 175.2 | -73 | -72.5 | 163.7 | -158.3 | 0 | 113.1 | Y722 V723 E729 A730 | Y722-K726 HydrophobicContact CE1-CG 4.14Å; Y722-K726 WeakPolarHBondContact O-CG 3.15Å; Y722-K726 PolarHBondContact O-N 3.18Å; V723-K726 PolarHBondContact O-N 3.44Å; K726-E729 WeakPolarHBondContact CD-OE2 2.75Å; K726-E729 WeakPolarHBondContact CE-OE2 3.16Å; K726-E729 IonicContact NZ-OE2 2.91Å; K726-E729 PolarHBondContact NZ-OE2 3.35Å; K726-E729 PolarHBondContact O-N 3.32Å; K726-A730 PolarHBondContact O-N 3.48Å; K726-A730 VanDerWaalsContact O-N 3.15Å |
| 727 | L | 62.3 | Low | 56.6 | Low | 97 Ų | 97 | 115.7 Ų | 115.7 | 51% | 0.508 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | 173 | -125.1 | 115.6 | 0 | 0 | 0 | 111.4 | V723 L724 E729 A730 D731 | V723-L727 HydrophobicContact CG1-CD1 4.35Å; V723-L727 PolarHBondContact O-N 2.72Å; L724-L727 PolarHBondContact O-N 3.09Å; L727-E729 VanDerWaalsContact C-N 3.31Å; L727-E729 PolarHBondContact O-N 3.44Å; L727-A730 PolarHBondContact O-N 3.3Å; L727-D731 PolarHBondContact O-N 3.28Å |
| 728 | Y | 58.7 | Low | 55.9 | Low | 167 Ų | 167 | 112.7 Ų | 112.7 | 66% | 0.655 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.2 | -30.4 | 178 | -158.7 | -94.7 | 0 | 0 | 0 | 112.8 | L724 A725 M732 | L724-Y728 PolarHBondContact O-N 2.97Å; A725-Y728 PolarHBondContact O-N 2.89Å; Y728-M732 HydrophobicContact CD1-CG 4.46Å; Y728-M732 HydrophobicContact CE1-CG 4.29Å; Y728-M732 WeakPolarHBondContact O-CG 3.3Å; Y728-M732 PolarHBondContact O-N 2.97Å |
| 729 | E | 58.8 | Low | 55.3 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 58% | 0.575 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.9 | -37.4 | 171.6 | -121.2 | 176.5 | 178.4 | 0 | 0 | 112.1 | A725 K726 L727 | A725-E729 PolarHBondContact O-N 3.45Å; A725-E729 VanDerWaalsContact O-N 3.1Å; K726-E729 WeakPolarHBondContact CD-OE2 2.75Å; K726-E729 WeakPolarHBondContact CE-OE2 3.16Å; K726-E729 IonicContact NZ-OE2 2.91Å; K726-E729 PolarHBondContact NZ-OE2 3.35Å; K726-E729 PolarHBondContact O-N 3.32Å; L727-E729 VanDerWaalsContact C-N 3.31Å; L727-E729 PolarHBondContact O-N 3.44Å |
| 730 | A | 56.1 | Low | 54.4 | Low | 64 Ų | 64 | 119.9 Ų | 119.9 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.9 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K726 L727 M732 D733 | K726-A730 PolarHBondContact O-N 3.48Å; K726-A730 VanDerWaalsContact O-N 3.15Å; L727-A730 PolarHBondContact O-N 3.3Å; A730-M732 PolarHBondContact O-N 3.2Å; A730-D733 PolarHBondContact O-N 2.9Å |
| 731 | D | 54 | Low | 53.3 | Low | 120 Ų | 120 | 119.3 Ų | 119.3 | 64% | 0.642 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.2 | -15.1 | 177.3 | -76.1 | -21.4 | 0 | 0 | 0 | 113.6 | L727 | L727-D731 PolarHBondContact O-N 3.28Å |
| 732 | M | 52.5 | Low | 52.4 | Low | 129 Ų | 129 | 123.3 Ų | 123.3 | 64% | 0.635 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 3.7 | 177.8 | -69.7 | -83.4 | 77.5 | 0 | 0 | 113.8 | Y728 A730 L734 | Y728-M732 HydrophobicContact CD1-CG 4.46Å; Y728-M732 HydrophobicContact CE1-CG 4.29Å; Y728-M732 WeakPolarHBondContact O-CG 3.3Å; Y728-M732 PolarHBondContact O-N 2.97Å; A730-M732 PolarHBondContact O-N 3.2Å; M732-L734 PolarHBondContact O-N 2.98Å |
| 733 | D | 58.3 | Low | 50.8 | Low | 91 Ų | 91 | 124.5 Ų | 124.5 | 49% | 0.487 | 66% | 0.656 | S | S | . | * | trans | -79.6 | 106.7 | 175.3 | -169.6 | -5.2 | 0 | 0 | 0 | 111.2 | A730 W735 A736 | A730-D733 PolarHBondContact O-N 2.9Å; D733-W735 PolarHBondContact O-N 3.02Å; D733-W735 PolarHBondContact OD1-N 3.48Å; D733-A736 HydrophobicContact CB-CB 4.41Å | ||
| 734 | L | 51.1 | Low | 49.5 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -3.3 | 179 | -83.4 | 153.3 | 0 | 0 | 0 | 114 | M732 | M732-L734 PolarHBondContact O-N 2.98Š|
| 735 | W | 53.6 | Low | 48.2 | Very low | 237 Ų | 237 | 132.8 Ų | 132.8 | 90% | 0.898 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 6.9 | -179.1 | -68.2 | -25.9 | 0 | 0 | 0 | 115.1 | D733 | D733-W735 PolarHBondContact O-N 3.02Å; D733-W735 PolarHBondContact OD1-N 3.48Å |
| 736 | A | 50.3 | Low | 46.8 | Very low | 57 Ų | 57 | 138.3 Ų | 138.3 | 47% | 0.471 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -76 | 128.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | D733 | D733-A736 HydrophobicContact CB-CB 4.41Š|
| 737 | P | 40.7 | Very low | 45.7 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -73 | 139.2 | -179.6 | 27.6 | -31.9 | 0 | 0 | 0 | 111.7 | ||
| 738 | P | 39.1 | Very low | 44.3 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 148.8 | -179.8 | 36 | -30.9 | 0 | 0 | 0 | 111.4 | ||
| 739 | F | 39.8 | Very low | 43.2 | Very low | 202 Ų | 202 | 142 Ų | 142 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | trans | 93.7 | 111.1 | 169.8 | -50 | -68.5 | 0 | 0 | 0 | 117.9 | ||||
| 740 | D | 42.8 | Very low | 42.2 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -77.2 | 125.4 | 160.3 | -154.2 | 3.9 | 0 | 0 | 0 | 108.7 | ||||
| 741 | S | 33.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -113.4 | 97 | 178.2 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | Q743 | S741-Q743 PolarHBondContact O-N 2.79Š| ||
| 742 | L | 41.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 144.6 Ų | 144.6 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 119.8 | 158.1 | -92 | 156.5 | 0 | 0 | 0 | 110 | ||||
| 743 | Q | 31.2 | Very low | 40 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -147.5 | 120.5 | 154.3 | -127.5 | -173.7 | -25.2 | 0 | 0 | 113.9 | S741 | S741-Q743 PolarHBondContact O-N 2.79Š| ||
| 744 | T | 32.2 | Very low | 39.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | 79.5 | 97.9 | 143.2 | 0.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 745 | Y | 35.2 | Very low | 38.4 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -55.1 | 130.7 | 147.7 | -72.7 | -91.1 | 0 | 0 | 0 | 111.6 | ||||
| 746 | M | 29.4 | Very low | 37.4 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | -138 | 111.8 | 153.9 | -94.8 | -176 | 62.8 | 0 | 0 | 110.1 | ||||
| 747 | F | 37.4 | Very low | 36.7 | Very low | 188 Ų | 188 | 146.1 Ų | 146.1 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 52.8 | 85.5 | 138.1 | -154.7 | -96.6 | 0 | 0 | 0 | 117.6 | G749 | F747-G749 PolarHBondContact O-N 2.98Š| ||
| 748 | E | 33.9 | Very low | 36.4 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -75.6 | 114.1 | 157.7 | -98 | 178 | 165.6 | 0 | 0 | 109.4 | ||||
| 749 | G | 36.2 | Very low | 36.1 | Very low | 55 Ų | 55 | 147.1 Ų | 147.1 | 57% | 0.567 | 83% | 0.827 | S | S | * | * | trans | -66 | 160.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F747 G751 | F747-G749 PolarHBondContact O-N 2.98Å; G749-G751 PolarHBondContact O-N 3.29Å | ||
| 750 | N | 36.2 | Very low | 36 | Very low | 171 Ų | 171 | 146 Ų | 146 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -60.7 | 128.5 | 176.3 | -87.9 | -9.9 | 0 | 0 | 0 | 112.1 | ||
| 751 | G | 40.8 | Very low | 35.5 | Very low | 75 Ų | 75 | 147.2 Ų | 147.2 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | 67.9 | 101.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G749 | G749-G751 PolarHBondContact O-N 3.29Š| ||
| 752 | S | 32.6 | Very low | 35.4 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | trans | -115 | 129.1 | 156.4 | -176.3 | 0 | 0 | 0 | 0 | 109 | A754 | S752-A754 VanDerWaalsContact C-N 3.33Å; S752-A754 PolarHBondContact O-N 2.8Å | ||
| 753 | V | 43.6 | Very low | 35 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | trans | -95.4 | 44.8 | -163.9 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 754 | A | 39.2 | Very low | 35.3 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | trans | -140.4 | 89.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S752 S756 | S752-A754 VanDerWaalsContact C-N 3.33Å; S752-A754 PolarHBondContact O-N 2.8Å; A754-S756 PolarHBondContact O-N 2.74Å; A754-S756 VanDerWaalsContact O-N 3.11Å | ||
| 755 | E | 35.8 | Very low | 35.5 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -62.5 | 102.9 | 166.8 | -70 | 176.6 | 160.7 | 0 | 0 | 109.1 | ||||
| 756 | S | 33.6 | Very low | 36 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -105.2 | 115.2 | 168.9 | -159.4 | 0 | 0 | 0 | 0 | 109.5 | A754 | A754-S756 PolarHBondContact O-N 2.74Å; A754-S756 VanDerWaalsContact O-N 3.11Å | ||
| 757 | L | 35.9 | Very low | 36.5 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -89.4 | 100.9 | -176.3 | -70.5 | 165.1 | 0 | 0 | 0 | 109.8 | ||||
| 758 | S | 33.8 | Very low | 36.9 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -162.9 | 81.5 | 158.9 | -82.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 759 | S | 32.4 | Very low | 37.5 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -156 | 136.2 | 149.1 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | Q761 | S759-Q761 PolarHBondContact O-N 3.46Å; S759-Q761 VanDerWaalsContact O-N 3.14Å | ||
| 760 | L | 38 | Very low | 38.2 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | trans | -65.2 | 100.9 | 179.6 | -81.1 | 151.9 | 0 | 0 | 0 | 110.9 | ||||
| 761 | Q | 33.5 | Very low | 39.4 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -161.3 | 103.9 | 155.2 | -113.5 | 170.1 | -1.9 | 0 | 0 | 109.1 | S759 | S759-Q761 PolarHBondContact O-N 3.46Å; S759-Q761 VanDerWaalsContact O-N 3.14Å | ||
| 762 | S | 30.9 | Very low | 40.2 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 94.7 | 163.1 | 66.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 763 | V | 32.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 134.1 Ų | 134.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -111.4 | 115.8 | 154.1 | 171.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 764 | T | 38.2 | Very low | 42.6 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 65.4 | 135.6 | 160.1 | 66.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 765 | T | 36 | Very low | 43.8 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | cis | -164.1 | 158.7 | 44.1 | 38.1 | 0 | 0 | 0 | 0 | 109.7 | S767 | T765-S767 PolarHBondContact O-N 3.33Š| ||
| 766 | D | 47.2 | Very low | 45.2 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 90% | 0.904 | 71% | 0.713 | S | S | * | * | trans | -40.5 | 124.2 | 165.5 | -77.3 | -44.4 | 0 | 0 | 0 | 114 | ||||
| 767 | S | 39.3 | Very low | 46.6 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -159.1 | 112.2 | 147.9 | 63.7 | 0 | 0 | 0 | 0 | 110.7 | T765 | T765-S767 PolarHBondContact O-N 3.33Š| ||
| 768 | D | 45.1 | Very low | 48.1 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -7.8 | 125.8 | 165.5 | -58 | -37.1 | 0 | 0 | 0 | 118.9 | S770 | D768-S770 PolarHBondContact O-N 3.42Š| ||
| 769 | Q | 47.8 | Very low | 49.8 | Very low | 152 Ų | 152 | 121.2 Ų | 121.2 | 71% | 0.71 | 67% | 0.674 | S | S | * | * | trans | -77.9 | 98.6 | 169.4 | -64.3 | -178.2 | -11.6 | 0 | 0 | 110.4 | Y771 | Q769-Y771 HydrophobicContact CB-CD2 4.35Å; Q769-Y771 HydrophobicContact CB-CE2 3.6Å; Q769-Y771 VanDerWaalsContact CD-OH 3.25Å; Q769-Y771 PolarHBondContact OE1-OH 3.36Å | ||
| 770 | S | 50.8 | Low | 51.1 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -89.1 | 118.6 | 170.3 | 72.6 | 0 | 0 | 0 | 0 | 111.1 | D768 | D768-S770 PolarHBondContact O-N 3.42Š| ||
| 771 | Y | 60.7 | Low | 52 | Low | 76 Ų | 76 | 121 Ų | 121 | 30% | 0.298 | 65% | 0.645 | S | S | . | * | trans | -99.6 | 9.7 | -179.5 | -68.2 | -75.2 | 0 | 0 | 0 | 114.2 | Q769 Y773 L774 | Q769-Y771 HydrophobicContact CB-CD2 4.35Å; Q769-Y771 HydrophobicContact CB-CE2 3.6Å; Q769-Y771 VanDerWaalsContact CD-OH 3.25Å; Q769-Y771 PolarHBondContact OE1-OH 3.36Å; Y771-Y773 PolarHBondContact O-N 2.84Å; Y771-Y773 VanDerWaalsContact O-N 3.17Å; Y771-L774 HydrophobicContact CD1-CD1 4.08Å; Y771-L774 WeakPolarHBondContact O-CB 3.38Å; Y771-L774 PolarHBondContact O-N 2.79Å; Y771-L774 VanDerWaalsContact O-N 3.17Å | ||
| 772 | D | 58.4 | Low | 53.6 | Low | 132 Ų | 132 | 117.4 Ų | 117.4 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -65 | -20.5 | -173.7 | -73.5 | -19.9 | 0 | 0 | 0 | 114.4 | L774 T775 | D772-L774 PolarHBondContact O-N 3.02Å; D772-T775 PolarHBondContact O-N 2.76Å; D772-T775 PolarHBondContact O-OG1 3.19Å |
| 773 | Y | 63.6 | Low | 55.2 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 46% | 0.463 | 62% | 0.619 | S | S | . | * | G | 310 helix | trans | -72.5 | -16.5 | 177.9 | 70.6 | -87.7 | 0 | 0 | 0 | 113.2 | Y771 T775 D776 W777 | Y771-Y773 PolarHBondContact O-N 2.84Å; Y771-Y773 VanDerWaalsContact O-N 3.17Å; Y773-T775 PolarHBondContact O-N 3.3Å; Y773-D776 PolarHBondContact O-N 3.29Å; Y773-W777 HydrophobicContact CD2-CZ2 4.37Å; Y773-W777 HydrophobicContact CE2-CZ2 4.27Å; Y773-W777 VanDerWaalsContact O-CD1 3.29Å |
| 774 | L | 62 | Low | 56.5 | Low | 27 Ų | 27 | 116.9 Ų | 116.9 | 14% | 0.141 | 60% | 0.602 | C | S | . | * | G | 310 helix | trans | -68.8 | -17.8 | 177.7 | -68.5 | 174.2 | 0 | 0 | 0 | 112.7 | Y771 D772 D776 A785 | Y771-L774 HydrophobicContact CD1-CD1 4.08Å; Y771-L774 WeakPolarHBondContact O-CB 3.38Å; Y771-L774 PolarHBondContact O-N 2.79Å; Y771-L774 VanDerWaalsContact O-N 3.17Å; D772-L774 PolarHBondContact O-N 3.02Å; L774-D776 VanDerWaalsContact C-N 3.32Å; L774-A785 HydrophobicContact CB-CB 3.94Å |
| 775 | T | 64.5 | Low | 57.8 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | G | 310 helix | trans | -71.5 | -26.7 | 174.5 | -6.4 | 0 | 0 | 0 | 0 | 113 | D772 Y773 W777 | D772-T775 PolarHBondContact O-N 2.76Å; D772-T775 PolarHBondContact O-OG1 3.19Å; Y773-T775 PolarHBondContact O-N 3.3Å; T775-W777 VanDerWaalsContact C-N 3.32Å; T775-W777 PolarHBondContact O-N 2.9Å |
| 776 | D | 65.8 | Low | 59.3 | Low | 140 Ų | 140 | 112 Ų | 112 | 75% | 0.749 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -11.7 | -177 | -69.8 | -22.9 | 0 | 0 | 0 | 113 | Y773 L774 G778 | Y773-D776 PolarHBondContact O-N 3.29Å; L774-D776 VanDerWaalsContact C-N 3.32Å; D776-G778 PolarHBondContact O-N 2.84Å |
| 777 | W | 62.1 | Low | 59.9 | Low | 167 Ų | 167 | 110 Ų | 110 | 63% | 0.633 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 5.3 | -174.7 | -72 | 30.8 | 0 | 0 | 0 | 113.3 | Y773 T775 F781 | Y773-W777 HydrophobicContact CD2-CZ2 4.37Å; Y773-W777 HydrophobicContact CE2-CZ2 4.27Å; Y773-W777 VanDerWaalsContact O-CD1 3.29Å; T775-W777 VanDerWaalsContact C-N 3.32Å; T775-W777 PolarHBondContact O-N 2.9Å; W777-F781 HydrophobicContact CB-CB 4.43Å; W777-F781 HydrophobicContact CB-CD2 3.91Å; W777-F781 HydrophobicContact CB-CG 4.31Å; W777-F781 VanDerWaalsContact O-CD2 3.29Å; W777-F781 WeakPolarHBondContact O-CD2 2.88Å |
| 778 | G | 67 | Low | 60.9 | Low | 27 Ų | 27 | 111.7 Ų | 111.7 | 28% | 0.278 | 54% | 0.542 | S | S | . | . | trans | 101.6 | 171 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D776 R780 F781 | D776-G778 PolarHBondContact O-N 2.84Å; G778-R780 PolarHBondContact O-N 2.83Å; G778-F781 PolarHBondContact O-N 2.93Å; G778-F781 VanDerWaalsContact O-N 3.08Å | ||
| 779 | P | 70.8 | Confident | 61.3 | Low | 125 Ų | 125 | 106.4 Ų | 106.4 | 81% | 0.812 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17 | -163.7 | 22 | -32.4 | 0 | 0 | 0 | 114.8 | ||
| 780 | R | 59.3 | Low | 61.1 | Low | 217 Ų | 217 | 102.8 Ų | 102.8 | 82% | 0.819 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -23.8 | -179.9 | -53.5 | -169.7 | -85 | -154.4 | -0.3 | 112.9 | G778 | G778-R780 PolarHBondContact O-N 2.83Š|
| 781 | F | 58 | Low | 60.6 | Low | 76 Ų | 76 | 104.3 Ų | 104.3 | 33% | 0.333 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.3 | -177 | -59.5 | -79.3 | 0 | 0 | 0 | 113.3 | W777 G778 K783 L784 A785 | W777-F781 HydrophobicContact CB-CB 4.43Å; W777-F781 HydrophobicContact CB-CD2 3.91Å; W777-F781 HydrophobicContact CB-CG 4.31Å; W777-F781 VanDerWaalsContact O-CD2 3.29Å; W777-F781 WeakPolarHBondContact O-CD2 2.88Å; G778-F781 PolarHBondContact O-N 2.93Å; G778-F781 VanDerWaalsContact O-N 3.08Å; F781-K783 VanDerWaalsContact C-N 3.26Å; F781-K783 PolarHBondContact O-N 3.2Å; F781-L784 HydrophobicContact CD1-CD1 4.36Å; F781-L784 WeakPolarHBondContact O-CB 3.08Å; F781-L784 PolarHBondContact O-N 3.1Å; F781-A785 PolarHBondContact O-N 3.28Å |
| 782 | K | 65.3 | Low | 59.5 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -57.8 | -37.8 | 177.8 | -170.1 | 175 | 179.6 | 179.3 | 0 | 112.9 | L784 A785 E786 | K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 3.33Å; K782-A785 PolarHBondContact O-N 2.6Å; K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 WeakPolarHBondContact O-CG 3.17Å; K782-E786 PolarHBondContact O-N 3.38Å |
| 783 | K | 64.6 | Low | 58.5 | Low | 157 Ų | 157 | 108.1 Ų | 108.1 | 68% | 0.683 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.4 | -21.7 | 179.1 | -152.2 | 176.6 | -174.4 | -177.5 | 0 | 113.1 | F781 M787 | F781-K783 VanDerWaalsContact C-N 3.26Å; F781-K783 PolarHBondContact O-N 3.2Å; K783-M787 WeakPolarHBondContact O-CB 3.39Å; K783-M787 PolarHBondContact O-N 3.26Å |
| 784 | L | 59.8 | Low | 57.1 | Low | 80 Ų | 80 | 108 Ų | 108 | 42% | 0.419 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -81.3 | -42.9 | 174 | -100.9 | 141.8 | 0 | 0 | 0 | 110.5 | F781 K782 E786 M787 Y788 | F781-L784 HydrophobicContact CD1-CD1 4.36Å; F781-L784 WeakPolarHBondContact O-CB 3.08Å; F781-L784 PolarHBondContact O-N 3.1Å; K782-L784 VanDerWaalsContact C-N 3.28Å; K782-L784 PolarHBondContact O-N 3.33Å; L784-E786 VanDerWaalsContact C-N 3.29Å; L784-E786 PolarHBondContact O-N 3.26Å; L784-M787 PolarHBondContact O-N 3.46Å; L784-M787 VanDerWaalsContact O-N 3.1Å; L784-Y788 HydrophobicContact CD2-CD2 4.05Å; L784-Y788 HydrophobicContact CD2-CE2 3.72Å; L784-Y788 WeakPolarHBondContact O-CD2 3.11Å; L784-Y788 PolarHBondContact O-N 3.34Å; L784-Y788 VanDerWaalsContact O-N 3.14Å |
| 785 | A | 66.3 | Low | 55.7 | Low | 16 Ų | 16 | 110.4 Ų | 110.4 | 13% | 0.132 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | -58.2 | -41.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L774 F781 K782 M787 G789 | L774-A785 HydrophobicContact CB-CB 3.94Å; F781-A785 PolarHBondContact O-N 3.28Å; K782-A785 PolarHBondContact O-N 2.6Å; A785-M787 VanDerWaalsContact C-N 3.3Å; A785-M787 PolarHBondContact O-N 3.44Å; A785-G789 PolarHBondContact O-N 2.79Å |
| 786 | E | 67.8 | Low | 54.4 | Low | 130 Ų | 130 | 111.3 Ų | 111.3 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.2 | -21.8 | 175.8 | -74.9 | 171.1 | -176.6 | 0 | 0 | 114 | K782 L784 | K782-E786 WeakPolarHBondContact CE-OE1 3.28Å; K782-E786 WeakPolarHBondContact O-CG 3.17Å; K782-E786 PolarHBondContact O-N 3.38Å; L784-E786 VanDerWaalsContact C-N 3.29Å; L784-E786 PolarHBondContact O-N 3.26Å |
| 787 | M | 60.3 | Low | 53.1 | Low | 128 Ų | 128 | 111.9 Ų | 111.9 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -91.2 | -30.1 | -176 | -156.6 | -178.6 | -57.3 | 0 | 0 | 112.8 | K783 L784 A785 | K783-M787 WeakPolarHBondContact O-CB 3.39Å; K783-M787 PolarHBondContact O-N 3.26Å; L784-M787 PolarHBondContact O-N 3.46Å; L784-M787 VanDerWaalsContact O-N 3.1Å; A785-M787 VanDerWaalsContact C-N 3.3Å; A785-M787 PolarHBondContact O-N 3.44Å |
| 788 | Y | 58.5 | Low | 51.9 | Low | 144 Ų | 144 | 118.9 Ų | 118.9 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -102.2 | -16.8 | 178.4 | -70.7 | -83.2 | 0 | 0 | 0 | 113.4 | L784 A790 | L784-Y788 HydrophobicContact CD2-CD2 4.05Å; L784-Y788 HydrophobicContact CD2-CE2 3.72Å; L784-Y788 WeakPolarHBondContact O-CD2 3.11Å; L784-Y788 PolarHBondContact O-N 3.34Å; L784-Y788 VanDerWaalsContact O-N 3.14Å; Y788-A790 VanDerWaalsContact C-N 3.28Å; Y788-A790 PolarHBondContact O-N 3.33Å; Y788-A790 VanDerWaalsContact O-N 3.13Å |
| 789 | G | 55.1 | Low | 51.1 | Low | 50 Ų | 50 | 123.5 Ų | 123.5 | 52% | 0.515 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -82.2 | 66.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A785 T791 | A785-G789 PolarHBondContact O-N 2.79Å; G789-T791 PolarHBondContact O-N 3.42Å |
| 790 | A | 42.6 | Very low | 50.1 | Low | 76 Ų | 76 | 123.4 Ų | 123.4 | 63% | 0.628 | 67% | 0.665 | S | S | * | * | trans | -88.7 | 107.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y788 | Y788-A790 VanDerWaalsContact C-N 3.28Å; Y788-A790 PolarHBondContact O-N 3.33Å; Y788-A790 VanDerWaalsContact O-N 3.13Å | ||
| 791 | T | 40.7 | Very low | 49.6 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | trans | 52.8 | 91.5 | 132.3 | 60.2 | 0 | 0 | 0 | 0 | 117.9 | G789 S793 | G789-T791 PolarHBondContact O-N 3.42Å; T791-S793 PolarHBondContact O-N 3.48Å | ||
| 792 | D | 36.6 | Very low | 49.1 | Very low | 177 Ų | 177 | 120.7 Ų | 120.7 | 95% | 0.947 | 68% | 0.675 | S | S | * | * | trans | -71.9 | 106.3 | 143.5 | -98.7 | -20.3 | 0 | 0 | 0 | 108.4 | ||||
| 793 | S | 37.5 | Very low | 48.1 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | -107 | 96.3 | 167.1 | 57 | 0 | 0 | 0 | 0 | 109.6 | T791 | T791-S793 PolarHBondContact O-N 3.48Š| ||
| 794 | S | 34 | Very low | 47 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -144.4 | 97.3 | 155.9 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 795 | G | 33.4 | Very low | 46.1 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 81% | 0.814 | 71% | 0.706 | S | S | * | * | trans | 84 | 114.1 | 133.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 796 | A | 36.1 | Very low | 44.5 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | 118.5 | 134.8 | 125.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 797 | L | 38.6 | Very low | 42.6 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 79.2 | 97.7 | 161.1 | -60.3 | 153.9 | 0 | 0 | 0 | 114.1 | ||||
| 798 | W | 37.4 | Very low | 40.9 | Very low | 314 Ų | 314 | 129.8 Ų | 129.8 | 100% | 1.189 | 77% | 0.774 | S | S | * | * | -173.8 | 0 | 70 | -95.6 | 77.7 | 0 | 0 | 0 | 109.5 |
Retrieved 798 of 798 residues in 409.1 ms
(Link to these results)