| 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 | 50 | Low | 57.9 | Low | 240 Ų | 240 | 159.2 Ų | 159.2 | 100% | 1.182 | 85% | 0.853 | S | S | * | * | 0 | 101.6 | 0 | -75.5 | -178.5 | 176.7 | 0 | 0 | 106.7 | |||||
| 2 | E | 47.6 | Very low | 58.8 | Low | 198 Ų | 198 | 155.5 Ų | 155.5 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -158.8 | 125.7 | 160 | -123.9 | 172.9 | 128.7 | 0 | 0 | 108.8 | ||||
| 3 | V | 63.1 | Low | 58.6 | Low | 133 Ų | 133 | 152.5 Ų | 152.5 | 81% | 0.806 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 132.9 | -172 | 179.9 | 0 | 0 | 0 | 0 | 107.3 | ||
| 4 | P | 66.3 | Low | 58.3 | Low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 143.5 | 174.9 | 29.3 | -33 | 0 | 0 | 0 | 111.5 | ||
| 5 | P | 64.6 | Low | 58.2 | Low | 131 Ų | 131 | 156.9 Ų | 156.9 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 154.8 | 178.7 | 29.7 | -32.1 | 0 | 0 | 0 | 113.5 | ||
| 6 | R | 52.8 | Low | 58 | Low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 148.2 | -160.9 | -68.5 | 161.3 | 173.6 | -114 | -0.9 | 114.9 | ||
| 7 | L | 48.8 | Very low | 57.2 | Low | 162 Ų | 162 | 152.2 Ų | 152.2 | 85% | 0.848 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.7 | 163.1 | -79.4 | 89 | 0 | 0 | 0 | 111.7 | H9 | L7-H9 PolarHBondContact O-N 2.76Š|
| 8 | S | 53.8 | Low | 57 | Low | 117 Ų | 117 | 149.2 Ų | 149.2 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -80.7 | 103.3 | 161.2 | 44 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | H | 61.8 | Low | 56.9 | Low | 182 Ų | 182 | 148.1 Ų | 148.1 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -84 | 116.8 | 174.2 | -143.2 | 40.4 | 0 | 0 | 0 | 108.8 | L7 | L7-H9 PolarHBondContact O-N 2.76Š|
| 10 | V | 61.3 | Low | 56.3 | Low | 124 Ų | 124 | 144.8 Ų | 144.8 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 128.2 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 11 | P | 67.4 | Low | 55.8 | Low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 144.3 | 176.9 | 31.2 | -33.1 | 0 | 0 | 0 | 112.2 | ||
| 12 | P | 68.4 | Low | 55.4 | Low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 154.4 | 173.2 | 32 | -33.7 | 0 | 0 | 0 | 112.6 | ||
| 13 | P | 55.9 | Low | 54.9 | Low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 142.1 | -177.1 | 29.6 | -33.7 | 0 | 0 | 0 | 113.4 | ||
| 14 | L | 54.2 | Low | 54 | Low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 126.6 | 178.2 | -66.3 | 158.8 | 0 | 0 | 0 | 111.5 | ||
| 15 | F | 57 | Low | 52.8 | Low | 198 Ų | 198 | 140.5 Ų | 140.5 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 135.4 | 162.7 | -79.5 | -84.8 | 0 | 0 | 0 | 109.9 | ||
| 16 | P | 54.6 | Low | 51.6 | Low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 131.5 | 175.2 | 28.3 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 17 | S | 45.2 | Very low | 51.1 | Low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.8 | 174.2 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 18 | A | 52.5 | Low | 50.6 | Low | 97 Ų | 97 | 131.5 Ų | 131.5 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 151.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 19 | P | 56.3 | Low | 50.4 | Low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -109.8 | 124.3 | 155.7 | 32.7 | -25.2 | 0 | 0 | 0 | 111.5 | ||||
| 20 | A | 44.8 | Very low | 49.2 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -97.2 | 133.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 21 | T | 46 | Very low | 48.4 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | 156.4 | 140.4 | 117.4 | 42.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 22 | L | 40.4 | Very low | 47.6 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 57.8 | 124 | 149.2 | -83 | 96.6 | 0 | 0 | 0 | 120.8 | ||||
| 23 | A | 37.9 | Very low | 46.6 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | 176.4 | 147.6 | 92 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 24 | S | 43.9 | Very low | 46.7 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -50.8 | 145.3 | 176.4 | 54.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 25 | R | 40.8 | Very low | 46.8 | Very low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -156.6 | 121.1 | 140.1 | -117.2 | 166.7 | 151.3 | -141.6 | -7 | 112.6 | ||||
| 26 | S | 39.8 | Very low | 46.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -51.1 | 141.9 | 165.3 | 173.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | L | 41.7 | Very low | 45.5 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -166 | 112.3 | 132.4 | -121.1 | 88.1 | 0 | 0 | 0 | 110.6 | ||||
| 28 | S | 39.4 | Very low | 45.4 | Very low | 80 Ų | 80 | 154.7 Ų | 154.7 | 56% | 0.559 | 82% | 0.816 | S | S | * | * | trans | 42.5 | 118.4 | 134.2 | 50.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 29 | H | 49.3 | Very low | 45.3 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.815 | 81% | 0.813 | S | S | * | * | trans | 56.7 | 117.4 | 135.1 | -69.9 | 71.7 | 0 | 0 | 0 | 118 | ||||
| 30 | W | 35.6 | Very low | 45.3 | Very low | 247 Ų | 247 | 154.4 Ų | 154.4 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | 178.3 | 114.3 | 121.8 | -101.6 | 50.4 | 0 | 0 | 0 | 109.3 | |||||
| 31 | R | 44.8 | Very low | 45.1 | Very low | 247 Ų | 247 | 158.1 Ų | 158.1 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 132.9 | 165 | -88.1 | 179.5 | 169.3 | -115.2 | 3.2 | 108.6 | ||
| 32 | P | 51.3 | Low | 44.9 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 138.3 | 151.6 | -0.7 | 21.2 | 0 | 0 | 0 | 110.8 | ||
| 33 | R | 47.6 | Very low | 45.5 | Very low | 227 Ų | 227 | 157.2 Ų | 157.2 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 159.4 | -178.2 | -70.3 | 173.3 | 167.7 | -171.1 | -4.4 | 112.6 | ||
| 34 | P | 57.5 | Low | 45.8 | Very low | 113 Ų | 113 | 157.7 Ų | 157.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71 | 150.6 | 169.7 | 30.8 | -35 | 0 | 0 | 0 | 111.7 | R36 | P34-R36 PolarHBondContact O-N 3.31Š|
| 35 | P | 56.7 | Low | 45.5 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 132.2 | 174.1 | 27.1 | -30.9 | 0 | 0 | 0 | 111.4 | ||
| 36 | R | 43.7 | Very low | 45.5 | Very low | 232 Ų | 232 | 153 Ų | 153 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 143.8 | 178.8 | -82.7 | 171.4 | 150.4 | -173.7 | -8.1 | 112.2 | P34 | P34-R36 PolarHBondContact O-N 3.31Š|
| 37 | Q | 40 | Very low | 46.2 | Very low | 192 Ų | 192 | 153.8 Ų | 153.8 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141 | 157.8 | -64.9 | -174.5 | -3.7 | 0 | 0 | 111.4 | ||
| 38 | L | 44.5 | Very low | 45.9 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -125.8 | 110.3 | 161.4 | -89.1 | 162.1 | 0 | 0 | 0 | 107.8 | ||||
| 39 | A | 48.7 | Very low | 45.8 | Very low | 90 Ų | 90 | 152 Ų | 152 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -79.7 | 156.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 40 | P | 56.6 | Low | 45.1 | Very low | 129 Ų | 129 | 147.7 Ų | 147.7 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -112.6 | 133.6 | 147.7 | 32.2 | -23.9 | 0 | 0 | 0 | 112.3 | ||||
| 41 | L | 40.2 | Very low | 45.2 | Very low | 161 Ų | 161 | 146 Ų | 146 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -71.9 | 127.2 | 166 | -79.1 | 164.5 | 0 | 0 | 0 | 109.4 | ||||
| 42 | L | 42.4 | Very low | 44.8 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | 146.3 | 170.3 | 101 | -91 | 153.5 | 0 | 0 | 0 | 108.6 | |||||
| 43 | P | 52.8 | Low | 43.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | cis | -129.3 | 169 | -20.7 | 28.5 | -7.9 | 0 | 0 | 0 | 114.1 | ||||
| 44 | S | 44.1 | Very low | 43.4 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -73.5 | 146.1 | 168.5 | 67.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | L | 37.1 | Very low | 42.6 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -171.7 | 108.5 | 142.1 | -101.9 | 138.7 | 0 | 0 | 0 | 110.7 | ||||
| 46 | A | 40.9 | Very low | 41.6 | Very low | 86 Ų | 86 | 143.9 Ų | 143.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 171 | 146.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 47 | P | 55.9 | Low | 41.3 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -145.5 | -173.8 | 20 | 38.7 | -16 | 0 | 0 | 0 | 116.3 | ||||
| 48 | S | 35.4 | Very low | 41.2 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 118.1 | 113.5 | 138.2 | -152.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 49 | S | 35.9 | Very low | 40.9 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | trans | 60.5 | 125.5 | 130.7 | 74.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 50 | A | 35.5 | Very low | 40.3 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | 121 | 117.3 | 117.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 51 | R | 36.8 | Very low | 39.3 | Very low | 210 Ų | 210 | 140.3 Ų | 140.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | 72.4 | 121.8 | 129.8 | -78.9 | -174.5 | -177.3 | -132.6 | 1.1 | 122 | |||||
| 52 | Q | 36.1 | Very low | 39 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 89.6 | 135.6 | 122.7 | -78 | 178.7 | 4.5 | 0 | 0 | 121.2 | |||||
| 53 | G | 32.9 | Very low | 38.9 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 126.8 | 73.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | A | 36.5 | Very low | 37.9 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | 63.2 | 113.9 | 83.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 55 | R | 41.3 | Very low | 37.6 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | 165.5 | 98.8 | 141.1 | -90.8 | 165.9 | -166.6 | -100.8 | 3.5 | 106.7 | ||||
| 56 | R | 36.5 | Very low | 38.9 | Very low | 216 Ų | 216 | 139.9 Ų | 139.9 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | 55.1 | 100.6 | 66.6 | -157.4 | -179.7 | -171.7 | -145.5 | 0.9 | 113.7 | |||||
| 57 | A | 38 | Very low | 38.6 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -150 | 110 | 135.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 58 | Q | 36.4 | Very low | 37.6 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 58% | 0.575 | 78% | 0.783 | S | S | * | * | trans | -85.8 | 153.4 | 168 | -69.2 | 167.8 | -58.6 | 0 | 0 | 109.6 | ||||
| 59 | R | 38.1 | Very low | 37.5 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 178.8 | 95.5 | 135.9 | -98.4 | 165.9 | 176.8 | -125.4 | -1.6 | 107.6 | ||||
| 60 | H | 36 | Very low | 37.3 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | 66.1 | 114.2 | 89.1 | -86.3 | -83.3 | 0 | 0 | 0 | 116.7 | |||||
| 61 | V | 35.4 | Very low | 37 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 71.5 | 126.8 | 131.1 | -167.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 62 | T | 34.4 | Very low | 36.7 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | -172.8 | 153.7 | 69.4 | -37.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 63 | A | 41.4 | Very low | 36.6 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | trans | -69.1 | 156.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 64 | Q | 31.6 | Very low | 36.6 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | 171.9 | 135.1 | 129.2 | -96.8 | 172.4 | 38.1 | 0 | 0 | 112 | |||||
| 65 | Q | 37.3 | Very low | 36.8 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -94.7 | -170.2 | 153.9 | -64.5 | -172.9 | 3 | 0 | 0 | 109.1 | ||||
| 66 | P | 63.8 | Low | 36.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | -119.7 | 167.3 | -82.8 | 35.8 | -18.6 | 0 | 0 | 0 | 111.4 | |||||
| 67 | S | 35.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -142.7 | 141.7 | 168.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 68 | R | 34 | Very low | 36.1 | Very low | 232 Ų | 232 | 134.2 Ų | 134.2 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 179.5 | -174.1 | -65.7 | 173.6 | 164.2 | -168.3 | -4.1 | 114.4 | ||||
| 69 | L | 33.2 | Very low | 36.2 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | 94.7 | 147.2 | 154.4 | -59.5 | 160.8 | 0 | 0 | 0 | 114.4 | ||||
| 70 | A | 32.1 | Very low | 36.4 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | cis | 175.4 | 152.4 | -18.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 71 | G | 29.4 | Very low | 36.5 | Very low | 84 Ų | 84 | 144.7 Ų | 144.7 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | 91.5 | 134 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 72 | G | 30.4 | Very low | 36.8 | Very low | 82 Ų | 82 | 149.8 Ų | 149.8 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | cis | 118.6 | 101.2 | 11.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 73 | A | 33.3 | Very low | 37.5 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 80% | 0.802 | 83% | 0.833 | S | S | * | * | trans | 168.3 | 112 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 74 | A | 33.7 | Very low | 37.3 | Very low | 92 Ų | 92 | 151.4 Ų | 151.4 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | 47 | 130.1 | 84.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 75 | I | 41 | Very low | 37.7 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 76% | 0.764 | 83% | 0.831 | S | S | * | * | -170.7 | 157.1 | 53.3 | -19.2 | 178.8 | 0 | 0 | 0 | 112.2 | |||||
| 76 | K | 36.3 | Very low | 37.8 | Very low | 204 Ų | 204 | 148.5 Ų | 148.5 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 71 | 133.3 | 156 | -65.7 | 174.1 | -177.5 | 178.1 | 0 | 117.8 | ||||
| 77 | G | 31.2 | Very low | 36.6 | Very low | 81 Ų | 81 | 154.4 Ų | 154.4 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | cis | 153.3 | 131.7 | 8.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 78 | G | 32.8 | Very low | 37 | Very low | 82 Ų | 82 | 158.4 Ų | 158.4 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 178.5 | 83.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 79 | R | 39.8 | Very low | 37.3 | Very low | 246 Ų | 246 | 155.1 Ų | 155.1 | 93% | 0.928 | 82% | 0.821 | S | S | * | * | trans | -70.9 | 137.6 | 171.8 | -64.3 | 175.4 | 178.5 | -170.3 | -1.3 | 111.1 | ||||
| 80 | R | 40.8 | Very low | 37.3 | Very low | 241 Ų | 241 | 157.1 Ų | 157.1 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -159 | 104.6 | 131.1 | -66.6 | -156.6 | -177 | -163.8 | 0.3 | 108.4 | ||||
| 81 | R | 39.8 | Very low | 37.6 | Very low | 250 Ų | 250 | 161.4 Ų | 161.4 | 94% | 0.943 | 83% | 0.825 | S | S | * | * | 75.3 | 107.5 | 103.9 | -71.9 | -163.1 | -179.4 | -165.5 | 1.6 | 115.6 | |||||
| 82 | R | 41.9 | Very low | 37.9 | Very low | 221 Ų | 221 | 162.9 Ų | 162.9 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -51.2 | 174.6 | 162.7 | -100.1 | -170.8 | -179.3 | 175.8 | 3.2 | 114.6 | ||||
| 83 | P | 48.6 | Very low | 38.3 | Very low | 111 Ų | 111 | 164.2 Ų | 164.2 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | cis | -141.3 | 152.9 | 30.3 | 35.4 | -13.3 | 0 | 0 | 0 | 120 | ||||
| 84 | D | 37.3 | Very low | 38.4 | Very low | 137 Ų | 137 | 164.3 Ų | 164.3 | 73% | 0.733 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 138.8 | 158 | -64.7 | -70.5 | 0 | 0 | 0 | 111.9 | ||||
| 85 | L | 39.9 | Very low | 38.9 | Very low | 154 Ų | 154 | 168.1 Ų | 168.1 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -142.9 | 130.6 | 160 | -100.1 | 153.5 | 0 | 0 | 0 | 110.1 | ||||
| 86 | F | 38.8 | Very low | 38.8 | Very low | 154 Ų | 154 | 169.2 Ų | 169.2 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | 80.9 | 75.9 | 158.8 | -100.7 | -95.5 | 0 | 0 | 0 | 120.3 | R88 | F86-R88 HydrophobicContact CD1-CG 3.69Å; F86-R88 HydrophobicContact CE1-CG 3.69Å | ||
| 87 | R | 39.7 | Very low | 38.9 | Very low | 240 Ų | 240 | 171.3 Ų | 171.3 | 91% | 0.906 | 82% | 0.823 | S | S | * | * | trans | -86.7 | 102.7 | 151.6 | -168.5 | 169.2 | -146.5 | -131.1 | 0.2 | 109.3 | ||||
| 88 | R | 42.8 | Very low | 39.3 | Very low | 212 Ų | 212 | 173 Ų | 173 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -84.6 | 126.8 | 171.2 | -91.6 | 174 | -165.8 | -156.3 | -0.7 | 110.8 | F86 | F86-R88 HydrophobicContact CD1-CG 3.69Å; F86-R88 HydrophobicContact CE1-CG 3.69Å | ||
| 89 | H | 40.5 | Very low | 39.3 | Very low | 162 Ų | 162 | 174.1 Ų | 174.1 | 75% | 0.75 | 82% | 0.823 | S | S | * | * | trans | -65 | 137.1 | 170.6 | -84.8 | 46.8 | 0 | 0 | 0 | 111.2 | ||||
| 90 | F | 33.4 | Very low | 39.1 | Very low | 210 Ų | 210 | 167.5 Ų | 167.5 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -96.5 | 106.1 | 161.8 | -150.6 | -98.5 | 0 | 0 | 0 | 106.7 | ||||
| 91 | K | 38.5 | Very low | 38.6 | Very low | 181 Ų | 181 | 160.9 Ų | 160.9 | 79% | 0.787 | 82% | 0.818 | S | S | * | * | trans | -90.9 | 116.7 | 168.8 | -83.3 | -176.7 | 175.7 | -179.1 | 0 | 107.9 | ||||
| 92 | S | 35 | Very low | 38.3 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -58.8 | 131.5 | 160.6 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 93 | S | 39.2 | Very low | 37.7 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -134.2 | 104.8 | 164.9 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 94 | S | 36.1 | Very low | 36.9 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | trans | -55.2 | 128.5 | 168.1 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | Q96 | S94-Q96 PolarHBondContact O-N 3.42Š| ||
| 95 | I | 43.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 147 Ų | 147 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -78.7 | 113 | 167.1 | -65.3 | 171.6 | 0 | 0 | 0 | 107.9 | ||||
| 96 | Q | 39.6 | Very low | 36.6 | Very low | 172 Ų | 172 | 150.9 Ų | 150.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -79.1 | 131.7 | 173.4 | -73.2 | 174.6 | -37.7 | 0 | 0 | 110 | S94 | S94-Q96 PolarHBondContact O-N 3.42Š| ||
| 97 | R | 36.9 | Very low | 36.5 | Very low | 249 Ų | 249 | 150.3 Ų | 150.3 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -77.5 | 132.4 | 161.6 | -71.1 | 178.7 | 177.4 | -143.4 | -1.5 | 108.2 | ||||
| 98 | S | 40.3 | Very low | 36.2 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -131.7 | 117.4 | 162.7 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 99 | A | 33.7 | Very low | 35.7 | Very low | 105 Ų | 105 | 145 Ų | 145 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | trans | -82.1 | 142.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 100 | A | 33.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 88% | 0.884 | 83% | 0.834 | S | S | * | * | trans | -164.6 | 136.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 101 | A | 31.1 | Very low | 35.5 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | -96.6 | 155.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 102 | A | 34.4 | Very low | 36.5 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | 167.8 | 109.3 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 103 | A | 28.7 | Very low | 37.1 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | 87.8 | 128.4 | 73.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 104 | A | 31 | Very low | 36.7 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 70.7 | 138.3 | 166 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 105 | T | 35.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | cis | -162.1 | 153 | 25.3 | -20.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | R | 35.3 | Very low | 35.6 | Very low | 235 Ų | 235 | 138.8 Ų | 138.8 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -53.2 | 149.8 | 172.4 | -66.8 | 164.7 | 156.4 | 163.8 | -7.8 | 112.9 | ||||
| 107 | T | 36.5 | Very low | 35.1 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | -168.4 | 128.2 | 124.3 | -71.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 108 | A | 34.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 150.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 109 | R | 32.7 | Very low | 34.7 | Very low | 253 Ų | 253 | 131.4 Ų | 131.4 | 96% | 0.955 | 81% | 0.812 | S | S | * | * | trans | -165.3 | 127 | 140.8 | -112.1 | 172.6 | -178.9 | -164.9 | -0.7 | 111.8 | ||||
| 110 | Q | 31.9 | Very low | 35.3 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | -88.9 | 143.4 | 167.5 | -65.4 | 170.4 | -18.6 | 0 | 0 | 109.3 | ||||
| 111 | H | 37.5 | Very low | 35.5 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | 178.8 | 143.1 | 119.8 | -114.9 | -87 | 0 | 0 | 0 | 111.9 | |||||
| 112 | P | 59.6 | Low | 35.6 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 172.2 | 166.8 | 41.4 | -36.1 | 0 | 0 | 0 | 110.5 | ||||
| 113 | P | 46.8 | Very low | 35.9 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -157.4 | 170.3 | 83 | 38.1 | -16.1 | 0 | 0 | 0 | 117.9 | |||||
| 114 | A | 31.4 | Very low | 36 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 47 | 137.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 115 | D | 26.5 | Very low | 36 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | cis | 175.6 | 160 | 42.5 | -144.2 | -18.4 | 0 | 0 | 0 | 109.5 | ||||
| 116 | S | 29.4 | Very low | 36.2 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | 72.5 | 133.4 | 152.5 | 76.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 117 | S | 29.8 | Very low | 36.6 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 105.2 | 117 | 145.2 | 76.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 118 | V | 36.9 | Very low | 36.5 | Very low | 140 Ų | 140 | 147 Ų | 147 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -79.7 | 129.1 | 168.2 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 119 | T | 32.3 | Very low | 37.1 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -143.7 | 118.7 | 155.7 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 120 | M | 45.3 | Very low | 37.5 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -66 | 158.4 | 154.7 | -72.6 | -178.8 | -169.9 | 0 | 0 | 109.1 | ||||
| 121 | E | 37.9 | Very low | 37.9 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | 89.8 | 95.7 | 168.4 | -52.3 | -179.9 | -178.8 | 0 | 0 | 115.8 | ||||
| 122 | D | 33.1 | Very low | 37.9 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | -143.8 | 138.8 | 123.5 | -150.7 | -9.5 | 0 | 0 | 0 | 110.6 | |||||
| 123 | M | 40.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -131 | 75.3 | -158.8 | -138.8 | -89 | -159.8 | 0 | 0 | 105.8 | ||||
| 124 | N | 31.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 174 | 114.4 | 160.4 | -108.4 | -22.2 | 0 | 0 | 0 | 111.8 | ||||
| 125 | E | 31.3 | Very low | 37.4 | Very low | 171 Ų | 171 | 147 Ų | 147 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | -161 | 87 | 116.5 | -121.5 | -170.4 | 131 | 0 | 0 | 110.6 | S127 | E125-S127 VanDerWaalsContact CD-OG 3.29Å; E125-S127 WeakPolarHBondContact CG-OG 3.32Å; E125-S127 PolarHBondContact O-N 3.09Å; E125-S127 PolarHBondContact OE1-OG 3.29Å | |||
| 126 | Y | 40.1 | Very low | 38.2 | Very low | 227 Ų | 227 | 143.9 Ų | 143.9 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 95.1 | 151.5 | -81.5 | -93.7 | 0 | 0 | 0 | 108.4 | ||||
| 127 | S | 42.8 | Very low | 39 | Very low | 59 Ų | 59 | 147.5 Ų | 147.5 | 41% | 0.413 | 78% | 0.778 | S | S | . | * | trans | -166.1 | 38.6 | 174.7 | 54.7 | 0 | 0 | 0 | 0 | 115.1 | E125 | E125-S127 VanDerWaalsContact CD-OG 3.29Å; E125-S127 WeakPolarHBondContact CG-OG 3.32Å; E125-S127 PolarHBondContact O-N 3.09Å; E125-S127 PolarHBondContact OE1-OG 3.29Å | ||
| 128 | N | 34.2 | Very low | 40.2 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -110.5 | 62.8 | 156.8 | -83.5 | -16.4 | 0 | 0 | 0 | 110.5 | E130 | N128-E130 PolarHBondContact O-N 2.75Å; N128-E130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | I | 47.4 | Very low | 40.8 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -74.4 | 81.2 | 153.3 | -58.6 | 171.5 | 0 | 0 | 0 | 105.2 | E131 | I129-E131 PolarHBondContact O-N 2.95Š| ||
| 130 | E | 42 | Very low | 41.6 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 118.8 | 161.2 | -75.3 | -164.6 | 165 | 0 | 0 | 107.8 | N128 F132 | N128-E130 PolarHBondContact O-N 2.75Å; N128-E130 VanDerWaalsContact O-N 3.09Å; E130-F132 VanDerWaalsContact O-CD2 3.3Å; E130-F132 WeakPolarHBondContact O-CD2 3.45Å; E130-F132 PolarHBondContact O-N 2.97Å | ||
| 131 | E | 40 | Very low | 41.5 | Very low | 191 Ų | 191 | 134.9 Ų | 134.9 | 89% | 0.893 | 70% | 0.704 | S | S | * | * | trans | -48.6 | 98.3 | -178.1 | -161.9 | 170.5 | 174.4 | 0 | 0 | 111.3 | I129 A133 | I129-E131 PolarHBondContact O-N 2.95Å; E131-A133 PolarHBondContact O-N 3.42Å; E131-A133 VanDerWaalsContact O-N 3.11Å | ||
| 132 | F | 36.9 | Very low | 42 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | -64.4 | 111.3 | 178.5 | -78.7 | -91.7 | 0 | 0 | 0 | 110.3 | E130 E134 | E130-F132 VanDerWaalsContact O-CD2 3.3Å; E130-F132 WeakPolarHBondContact O-CD2 3.45Å; E130-F132 PolarHBondContact O-N 2.97Å; F132-E134 PolarHBondContact O-N 3.29Å | ||
| 133 | A | 38.5 | Very low | 42.7 | Very low | 73 Ų | 73 | 134 Ų | 134 | 60% | 0.603 | 70% | 0.695 | S | S | * | * | trans | -58.3 | 110 | 156 | 0 | 0 | 0 | 0 | 0 | 108.8 | E131 G135 S136 | E131-A133 PolarHBondContact O-N 3.42Å; E131-A133 VanDerWaalsContact O-N 3.11Å; A133-G135 PolarHBondContact O-N 3.11Å; A133-S136 PolarHBondContact O-N 2.77Å; A133-S136 PolarHBondContact O-OG 3.43Å | ||
| 134 | E | 43.5 | Very low | 43.1 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 114.8 | -178.7 | -164.7 | 162.2 | -163.5 | 0 | 0 | 110.8 | F132 | F132-E134 PolarHBondContact O-N 3.29Š|
| 135 | G | 44.8 | Very low | 44.1 | Very low | 74 Ų | 74 | 133.9 Ų | 133.9 | 76% | 0.763 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.9 | 2.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A133 K137 | A133-G135 PolarHBondContact O-N 3.11Å; G135-K137 PolarHBondContact O-N 3.08Å |
| 136 | S | 44 | Very low | 45.7 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | trans | -75.5 | 92.3 | 179.4 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | A133 I138 | A133-S136 PolarHBondContact O-N 2.77Å; A133-S136 PolarHBondContact O-OG 3.43Å; S136-I138 PolarHBondContact O-N 2.95Å | ||
| 137 | K | 46.9 | Very low | 47.2 | Very low | 178 Ų | 178 | 121.7 Ų | 121.7 | 77% | 0.774 | 64% | 0.644 | S | S | * | * | trans | 22 | 101.8 | 144.9 | -57 | 168.5 | -170.6 | 165.3 | 0 | 114.2 | G135 N139 | G135-K137 PolarHBondContact O-N 3.08Å; K137-N139 PolarHBondContact O-N 3.39Å | ||
| 138 | I | 55.6 | Low | 48.9 | Very low | 34 Ų | 34 | 119.3 Ų | 119.3 | 17% | 0.174 | 63% | 0.629 | C | S | . | * | trans | -38.9 | 113.2 | 151.4 | 38.7 | 163 | 0 | 0 | 0 | 108.7 | S136 A140 K149 D176 | S136-I138 PolarHBondContact O-N 2.95Å; I138-A140 HydrophobicContact CD1-CB 4.47Å; I138-A140 PolarHBondContact O-N 3.4Å; I138-K149 VanDerWaalsContact CD1-CE 3.41Å; I138-D176 VanDerWaalsContact CA-OD2 3.3Å; I138-D176 WeakPolarHBondContact CA-OD2 3.44Å; I138-D176 HydrophobicContact CG2-CB 4.4Å; I138-D176 WeakPolarHBondContact CG2-OD2 3.01Å | ||
| 139 | N | 49.4 | Very low | 51.4 | Low | 151 Ų | 151 | 113.8 Ų | 113.8 | 81% | 0.807 | 60% | 0.598 | S | S | * | * | trans | -73.3 | 57 | 172 | -85.1 | -28.4 | 0 | 0 | 0 | 109 | K137 | K137-N139 PolarHBondContact O-N 3.39Š| ||
| 140 | A | 48.8 | Very low | 53.4 | Low | 19 Ų | 19 | 106.2 Ų | 106.2 | 16% | 0.157 | 56% | 0.559 | C | S | . | * | trans | -82.5 | 105 | 160.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | I138 K142 D146 | I138-A140 HydrophobicContact CD1-CB 4.47Å; I138-A140 PolarHBondContact O-N 3.4Å; A140-K142 PolarHBondContact O-N 3.2Å; A140-D146 WeakPolarHBondContact CA-OD2 3.2Å; A140-D146 WeakPolarHBondContact CB-OD2 3.3Å | ||
| 141 | S | 42.4 | Very low | 55.8 | Low | 85 Ų | 85 | 101.5 Ų | 101.5 | 59% | 0.594 | 54% | 0.536 | S | S | * | . | trans | -43.2 | 115.6 | 170.9 | -61.4 | 0 | 0 | 0 | 0 | 108.3 | N143 Q144 | S141-N143 PolarHBondContact O-N 3.03Å; S141-Q144 PolarHBondContact O-N 3.47Å | ||
| 142 | K | 47.8 | Very low | 58.2 | Low | 206 Ų | 206 | 92.4 Ų | 92.4 | 90% | 0.896 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -3.6 | -163.4 | -84.6 | 174.6 | 176.4 | 171.5 | 0 | 117.5 | A140 | A140-K142 PolarHBondContact O-N 3.2Š|
| 143 | N | 48 | Very low | 60.8 | Low | 131 Ų | 131 | 85.1 Ų | 85.1 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | 0.5 | -168 | -91.2 | 7.1 | 0 | 0 | 0 | 116.1 | S141 | S141-N143 PolarHBondContact O-N 3.03Š|
| 144 | Q | 49.3 | Very low | 63.3 | Low | 146 Ų | 146 | 83.1 Ų | 83.1 | 68% | 0.682 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -111.8 | 136.4 | 174.5 | -75.2 | 176 | 2.5 | 0 | 0 | 109.2 | S141 D146 | S141-Q144 PolarHBondContact O-N 3.47Å; Q144-D146 PolarHBondContact O-N 3.48Å |
| 145 | Q | 52.8 | Low | 65.5 | Low | 160 Ų | 160 | 73.8 Ų | 73.8 | 75% | 0.748 | 41% | 0.407 | S | S | * | . | trans | -59.4 | 94.9 | 163.4 | -75.5 | 164.8 | 4.8 | 0 | 0 | 105.4 | D147 | Q145-D147 VanDerWaalsContact C-N 3.27Å; Q145-D147 PolarHBondContact O-N 3.09Å | ||
| 146 | D | 64.1 | Low | 67.7 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | trans | -67.5 | 98.8 | 171.9 | -69 | -36.2 | 0 | 0 | 0 | 105.4 | A140 Q144 G148 K149 L195 | A140-D146 WeakPolarHBondContact CA-OD2 3.2Å; A140-D146 WeakPolarHBondContact CB-OD2 3.3Å; Q144-D146 PolarHBondContact O-N 3.48Å; D146-G148 PolarHBondContact O-N 3Å; D146-G148 VanDerWaalsContact O-N 3.08Å; D146-K149 HydrophobicContact CB-CB 3.94Å; D146-K149 VanDerWaalsContact O-CB 3.31Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 2.9Å; D146-L195 HydrophobicContact CB-CD1 4.14Å | ||
| 147 | D | 71.1 | Confident | 69.9 | Low | 96 Ų | 96 | 74.8 Ų | 74.8 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.3 | 177.5 | -75.9 | -32.2 | 0 | 0 | 0 | 111.7 | Q145 K149 A199 V202 | Q145-D147 VanDerWaalsContact C-N 3.27Å; Q145-D147 PolarHBondContact O-N 3.09Å; D147-K149 VanDerWaalsContact C-N 3.34Å; D147-A199 HydrophobicContact CB-CB 3.78Å; D147-V202 WeakPolarHBondContact O-CG2 3.25Å |
| 148 | G | 78.9 | Confident | 71.8 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D146 F196 | D146-G148 PolarHBondContact O-N 3Å; D146-G148 VanDerWaalsContact O-N 3.08Å; G148-F196 PolarHBondContact O-N 2.95Å |
| 149 | K | 87.6 | Confident | 73.3 | Confident | 38 Ų | 38 | 71.8 Ų | 71.8 | 17% | 0.165 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.9 | -177.5 | -166.3 | -178.4 | 178.7 | 177.6 | 0 | 111.9 | I138 D146 D147 V194 L195 A223 | I138-K149 VanDerWaalsContact CD1-CE 3.41Å; D146-K149 HydrophobicContact CB-CB 3.94Å; D146-K149 VanDerWaalsContact O-CB 3.31Å; D146-K149 WeakPolarHBondContact O-CB 3.45Å; D146-K149 PolarHBondContact O-N 2.9Å; D147-K149 VanDerWaalsContact C-N 3.34Å; K149-V194 CarbonylContact C-O 3.56Å; K149-V194 WeakPolarHBondContact CA-O 3.48Å; K149-L195 HydrophobicContact CB-CD1 3.99Å; K149-A223 HydrophobicContact CB-CB 4.02Å; K149-A223 HydrophobicContact CD-CB 4.03Å; K149-A223 HydrophobicContact CG-CB 3.65Å; K149-A223 WeakPolarHBondContact O-CB 3.31Å; K149-A223 PolarHBondContact O-N 2.64Å |
| 150 | M | 89.2 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.2 | -178.7 | -152.6 | -165.6 | -71.4 | 0 | 0 | 111.5 | I152 F193 V194 F196 V202 V205 P220 K221 | M150-I152 HydrophobicContact CB-CD1 4.5Å; M150-I152 HydrophobicContact CG-CD1 4.17Å; M150-I152 HydrophobicContact SD-CD1 3.51Å; M150-I152 VanDerWaalsContact SD-CD1 3.51Å; M150-F193 CarbonylContact O-C 3.59Å; M150-F193 VanDerWaalsContact O-CA 3.31Å; M150-F193 WeakPolarHBondContact O-CA 3.21Å; M150-V194 PolarHBondContact N-O 2.61Å; M150-V194 PolarHBondContact O-N 3.33Å; M150-F196 HydrophobicContact CB-CE2 4.47Å; M150-F196 HydrophobicContact CE-CD2 4.17Å; M150-F196 HydrophobicContact CE-CE2 3.53Å; M150-F196 HydrophobicContact CE-CZ 4.4Å; M150-F196 HydrophobicContact SD-CE2 4.44Å; M150-V202 VanDerWaalsContact CE-CA 3.43Å; M150-V202 HydrophobicContact CE-CB 3.83Å; M150-V202 HydrophobicContact CE-CG1 3.61Å; M150-V202 HydrophobicContact CE-CG2 3.97Å; M150-V202 HydrophobicContact CG-CG1 4.3Å; M150-V205 HydrophobicContact CE-CB 3.42Å; M150-V205 VanDerWaalsContact CE-CB 3.42Å; M150-V205 HydrophobicContact CE-CG1 3.63Å; M150-V205 HydrophobicContact CE-CG2 3.76Å; M150-V205 HydrophobicContact SD-CB 4.18Å; M150-V205 HydrophobicContact SD-CG1 3.68Å; M150-P220 HydrophobicContact SD-CB 3.47Å; M150-P220 WeakPolarHBondContact SD-CB 3.31Å; M150-K221 WeakPolarHBondContact CG-O 3.4Å |
| 151 | F | 91.3 | Very high | 77.1 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 131.7 | 168.7 | 168 | -91.9 | 0 | 0 | 0 | 108.4 | F191 F193 P220 K221 A223 | F151-F191 HydrophobicContact CD2-CD2 4.41Å; F151-F191 HydrophobicContact CE2-CB 3.85Å; F151-F191 AromaticContact CE2-CD2 3.6Å; F151-F191 HydrophobicContact CE2-CD2 3.6Å; F151-F191 HydrophobicContact CE2-CE2 4.41Å; F151-F191 AromaticContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CZ-CB 3.88Å; F151-F191 HydrophobicContact CZ-CD2 4.4Å; F151-F191 HydrophobicContact CZ-CG 4.32Å; F151-F193 HydrophobicContact CB-CD1 4.32Å; F151-F193 HydrophobicContact CB-CE1 4.16Å; F151-F193 HydrophobicContact CD2-CD1 4.39Å; F151-F193 AromaticContact CD2-CE1 3.8Å; F151-F193 HydrophobicContact CD2-CE1 3.8Å; F151-F193 AromaticContact CD2-CZ 3.95Å; F151-F193 HydrophobicContact CD2-CZ 3.95Å; F151-F193 HydrophobicContact CG-CE1 4.48Å; F151-P220 CarbonylContact O-C 3.56Å; F151-P220 WeakPolarHBondContact O-CA 3.3Å; F151-K221 HydrophobicContact CD1-CB 4.2Å; F151-K221 PolarHBondContact N-O 2.75Å; F151-K221 PolarHBondContact O-N 3.07Å; F151-K221 VanDerWaalsContact O-O 3.11Å; F151-A223 HydrophobicContact CB-CB 4.44Å |
| 152 | I | 90.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 108.8 | 175.3 | -46.7 | -64.7 | 0 | 0 | 0 | 108.2 | M150 L155 L164 L168 F191 G192 V194 I218 P220 | M150-I152 HydrophobicContact CB-CD1 4.5Å; M150-I152 HydrophobicContact CG-CD1 4.17Å; M150-I152 HydrophobicContact SD-CD1 3.51Å; M150-I152 VanDerWaalsContact SD-CD1 3.51Å; I152-L155 HydrophobicContact CB-CD2 4.44Å; I152-L155 HydrophobicContact CG2-CD2 3.57Å; I152-L155 HydrophobicContact CG2-CG 4.15Å; I152-L164 HydrophobicContact CG1-CD1 4.38Å; I152-L164 HydrophobicContact CG2-CD1 4.15Å; I152-L168 HydrophobicContact CD1-CD1 4.05Å; I152-L168 HydrophobicContact CD1-CD2 4.45Å; I152-L168 HydrophobicContact CG1-CD1 4.14Å; I152-F191 CarbonylContact O-C 3.58Å; I152-F191 WeakPolarHBondContact O-CA 3.33Å; I152-F191 WeakPolarHBondContact O-CB 3.06Å; I152-G192 PolarHBondContact N-O 3.11Å; I152-G192 PolarHBondContact O-N 3.39Å; I152-V194 HydrophobicContact CG1-CG2 3.87Å; I152-I218 HydrophobicContact CG2-CB 4.08Å; I152-I218 HydrophobicContact CG2-CD1 4.02Å; I152-I218 HydrophobicContact CG2-CG1 4.39Å; I152-P220 HydrophobicContact CD1-CB 3.75Å |
| 153 | G | 91.6 | Very high | 81.4 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 163.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L155 I218 D219 | G153-L155 VanDerWaalsContact C-N 3.33Å; G153-L155 PolarHBondContact O-N 3.43Å; G153-I218 CarbonylContact O-C 3.56Å; G153-I218 VanDerWaalsContact O-CA 3.29Å; G153-I218 WeakPolarHBondContact O-CA 2.94Å; G153-D219 PolarHBondContact N-O 3.07Å; G153-D219 PolarHBondContact O-N 3.31Å |
| 154 | G | 90.3 | Very high | 83.4 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 78.1 | 11.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G190 K216 | G154-G190 PolarHBondContact N-O 3.1Å; G154-G190 VanDerWaalsContact N-O 3.09Å; G154-K216 WeakPolarHBondContact O-CD 3.14Å; G154-K216 VanDerWaalsContact O-CE 3.3Å; G154-K216 WeakPolarHBondContact O-CE 3.2Å; G154-K216 WeakPolarHBondContact O-CG 3.34Å |
| 155 | L | 91.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -58.1 | 152.3 | 176.5 | -58.9 | 179.2 | 0 | 0 | 0 | 111.4 | I152 G153 T159 L164 I179 G190 L213 K216 I218 | I152-L155 HydrophobicContact CB-CD2 4.44Å; I152-L155 HydrophobicContact CG2-CD2 3.57Å; I152-L155 HydrophobicContact CG2-CG 4.15Å; G153-L155 VanDerWaalsContact C-N 3.33Å; G153-L155 PolarHBondContact O-N 3.43Å; L155-T159 HydrophobicContact CD2-CG2 4.39Å; L155-L164 HydrophobicContact CD1-CD2 4Å; L155-L164 HydrophobicContact CD2-CD1 3.83Å; L155-I179 HydrophobicContact CD1-CD1 4.44Å; L155-I179 HydrophobicContact CD1-CG1 4.37Å; L155-G190 PolarHBondContact N-O 2.87Å; L155-G190 WeakPolarHBondContact O-CA 3.33Å; L155-L213 HydrophobicContact CD2-CD2 4.08Å; L155-K216 PolarHBondContact O-NZ 2.82Å; L155-I218 HydrophobicContact CD2-CB 4.41Å; L155-I218 HydrophobicContact CD2-CG2 3.8Å | ||
| 156 | S | 90.8 | Very high | 87.2 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -67.1 | 157.1 | 169.1 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | D158 T159 | S156-D158 PolarHBondContact O-N 3.04Å; S156-T159 WeakPolarHBondContact CA-OG1 3.5Å; S156-T159 WeakPolarHBondContact CB-OG1 3.42Å; S156-T159 PolarHBondContact N-OG1 2.75Å; S156-T159 VanDerWaalsContact N-OG1 3.12Å; S156-T159 PolarHBondContact O-N 3.26Å | ||
| 157 | W | 89.2 | Confident | 88.4 | Confident | 152 Ų | 152 | 53.7 Ų | 53.7 | 58% | 0.576 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68.6 | -24.8 | 176.3 | -63.3 | -28.4 | 0 | 0 | 0 | 112.1 | S188 | W157-S188 WeakPolarHBondContact O-CB 3.48Š|
| 158 | D | 87.3 | Confident | 89.3 | Confident | 144 Ų | 144 | 49.2 Ų | 49.2 | 77% | 0.77 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -95.8 | -5.4 | -179.5 | -51.7 | -50.5 | 0 | 0 | 0 | 112.7 | S156 S160 | S156-D158 PolarHBondContact O-N 3.04Å; D158-S160 PolarHBondContact O-N 3.26Å |
| 159 | T | 86.8 | Confident | 89.8 | Confident | 6 Ų | 6 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | trans | -63.1 | 125.3 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 110 | L155 S156 D163 I179 L213 D214 | L155-T159 HydrophobicContact CD2-CG2 4.39Å; S156-T159 WeakPolarHBondContact CA-OG1 3.5Å; S156-T159 WeakPolarHBondContact CB-OG1 3.42Å; S156-T159 PolarHBondContact N-OG1 2.75Å; S156-T159 VanDerWaalsContact N-OG1 3.12Å; S156-T159 PolarHBondContact O-N 3.26Å; T159-D163 HydrophobicContact CG2-CB 4.48Å; T159-I179 HydrophobicContact CG2-CD1 4.44Å; T159-I179 VanDerWaalsContact O-CD1 3.26Å; T159-I179 WeakPolarHBondContact O-CD1 3.18Å; T159-L213 HydrophobicContact CG2-CD2 3.42Å; T159-L213 VanDerWaalsContact CG2-CD2 3.42Å; T159-D214 WeakPolarHBondContact CB-OD2 3.47Å; T159-D214 PolarHBondContact OG1-OD2 2.85Å | ||
| 160 | S | 89.4 | Confident | 89.9 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | trans | -94.6 | 166.9 | 179 | 80 | 0 | 0 | 0 | 0 | 112.9 | D158 K162 D163 L164 I179 | D158-S160 PolarHBondContact O-N 3.26Å; S160-K162 PolarHBondContact O-N 3.08Å; S160-K162 PolarHBondContact OG-N 3.22Å; S160-D163 VanDerWaalsContact CB-OD2 3.3Å; S160-D163 WeakPolarHBondContact CB-OD2 3.17Å; S160-D163 PolarHBondContact N-OD2 3.26Å; S160-D163 PolarHBondContact O-N 3Å; S160-D163 PolarHBondContact OG-N 3.04Å; S160-D163 PolarHBondContact OG-OD2 3.4Å; S160-L164 PolarHBondContact O-N 3.2Å; S160-I179 WeakPolarHBondContact O-CD1 3.47Å | ||
| 161 | K | 89.1 | Confident | 89.8 | Confident | 78 Ų | 78 | 59 Ų | 59 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -54.9 | -37.6 | 173.1 | -176.4 | -179.9 | 173.1 | 163 | 0 | 110.7 | T165 D176 C177 | K161-T165 WeakPolarHBondContact O-CB 3.35Å; K161-T165 PolarHBondContact O-N 2.96Å; K161-T165 PolarHBondContact O-OG1 3.16Å; K161-D176 IonicContact NZ-OD1 2.75Å; K161-D176 PolarHBondContact NZ-OD1 2.78Å; K161-C177 VanDerWaalsContact CD-O 3.31Å; K161-C177 WeakPolarHBondContact CD-O 3.5Å; K161-C177 WeakPolarHBondContact CE-O 3.31Å; K161-C177 WeakPolarHBondContact CE-SG 3.45Å; K161-C177 HydrophobicContact CG-CB 4.34Å; K161-C177 WeakPolarHBondContact CG-SG 3.16Å; K161-C177 PolarHBondContact NZ-O 2.83Å; K161-C177 VanDerWaalsContact NZ-O 3.09Å |
| 162 | K | 90.3 | Very high | 89.7 | Confident | 170 Ų | 170 | 57.2 Ų | 57.2 | 74% | 0.739 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.1 | -52 | -177 | -65 | -175.8 | 178.1 | -177 | 0 | 111.2 | S160 L164 T165 E166 | S160-K162 PolarHBondContact O-N 3.08Å; S160-K162 PolarHBondContact OG-N 3.22Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 2.98Å; K162-T165 WeakPolarHBondContact O-CB 3.44Å; K162-T165 PolarHBondContact O-N 2.79Å; K162-E166 PolarHBondContact O-N 3.46Å |
| 163 | D | 90.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | -178.1 | -44.9 | -44.1 | 0 | 0 | 0 | 111.3 | T159 S160 Y167 | T159-D163 HydrophobicContact CG2-CB 4.48Å; S160-D163 VanDerWaalsContact CB-OD2 3.3Å; S160-D163 WeakPolarHBondContact CB-OD2 3.17Å; S160-D163 PolarHBondContact N-OD2 3.26Å; S160-D163 PolarHBondContact O-N 3Å; S160-D163 PolarHBondContact OG-N 3.04Å; S160-D163 PolarHBondContact OG-OD2 3.4Å; D163-Y167 VanDerWaalsContact O-CB 3.32Å; D163-Y167 WeakPolarHBondContact O-CB 3.41Å; D163-Y167 PolarHBondContact O-N 3.34Å |
| 164 | L | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.7 | -174.9 | 61.3 | 0 | 0 | 0 | 112.1 | I152 L155 S160 K162 L168 I179 V194 L213 | I152-L164 HydrophobicContact CG1-CD1 4.38Å; I152-L164 HydrophobicContact CG2-CD1 4.15Å; L155-L164 HydrophobicContact CD1-CD2 4Å; L155-L164 HydrophobicContact CD2-CD1 3.83Å; S160-L164 PolarHBondContact O-N 3.2Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 2.98Å; L164-L168 HydrophobicContact CD1-CD1 3.73Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.47Å; L164-I179 HydrophobicContact CD2-CG1 4.25Å; L164-V194 HydrophobicContact CD2-CG2 3.73Å; L164-V194 HydrophobicContact CG-CG2 4.13Å; L164-L213 HydrophobicContact CD1-CD2 4.2Å |
| 165 | T | 90.2 | Very high | 89.5 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 178.2 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | K161 K162 Y167 L168 S169 V174 C177 | K161-T165 WeakPolarHBondContact O-CB 3.35Å; K161-T165 PolarHBondContact O-N 2.96Å; K161-T165 PolarHBondContact O-OG1 3.16Å; K162-T165 WeakPolarHBondContact O-CB 3.44Å; K162-T165 PolarHBondContact O-N 2.79Å; T165-Y167 VanDerWaalsContact C-N 3.3Å; T165-Y167 PolarHBondContact O-N 3.39Å; T165-L168 PolarHBondContact O-N 2.94Å; T165-S169 VanDerWaalsContact O-CB 3.25Å; T165-S169 WeakPolarHBondContact O-CB 3.19Å; T165-S169 PolarHBondContact O-N 3.31Å; T165-V174 HydrophobicContact CG2-CB 4Å; T165-V174 HydrophobicContact CG2-CG1 4.12Å; T165-V174 HydrophobicContact CG2-CG2 4.45Å; T165-C177 PolarHBondContact OG1-SG 2.97Å |
| 166 | E | 90.9 | Very high | 89.2 | Confident | 147 Ų | 147 | 67.1 Ų | 67.1 | 69% | 0.687 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.6 | -43.6 | -179.9 | -175 | 177.7 | 176.5 | 0 | 0 | 110.9 | K162 | K162-E166 PolarHBondContact O-N 3.46Å |
| 167 | Y | 90.1 | Very high | 89.1 | Confident | 26 Ų | 26 | 66 Ų | 66 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 175.9 | -176.2 | -94 | 0 | 0 | 0 | 112 | D163 T165 S169 R170 F171 H211 K212 L213 I218 | D163-Y167 VanDerWaalsContact O-CB 3.32Å; D163-Y167 WeakPolarHBondContact O-CB 3.41Å; D163-Y167 PolarHBondContact O-N 3.34Å; T165-Y167 VanDerWaalsContact C-N 3.3Å; T165-Y167 PolarHBondContact O-N 3.39Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-R170 VanDerWaalsContact CE2-CZ 3.44Å; Y167-R170 WeakPolarHBondContact O-CD 3.45Å; Y167-R170 WeakPolarHBondContact O-CG 3.38Å; Y167-R170 PolarHBondContact O-NE 3.3Å; Y167-F171 HydrophobicContact CD1-CE2 4.47Å; Y167-F171 AromaticContact CE1-CE2 3.99Å; Y167-F171 HydrophobicContact CE1-CE2 3.99Å; Y167-H211 HydrophobicContact CE1-CB 4.23Å; Y167-H211 AromaticContact CE1-ND1 3.64Å; Y167-H211 AromaticContact CZ-ND1 3.85Å; Y167-H211 PolarHBondContact OH-ND1 3.21Å; Y167-H211 VanDerWaalsContact OH-ND1 3.15Å; Y167-K212 WeakPolarHBondContact CE2-O 3.43Å; Y167-L213 VanDerWaalsContact CB-CD1 3.47Å; Y167-L213 HydrophobicContact CD1-CD1 4.39Å; Y167-L213 HydrophobicContact CD2-CD1 3.69Å; Y167-L213 HydrophobicContact CG-CD1 3.6Å; Y167-I218 HydrophobicContact CD1-CD1 4.18Å; Y167-I218 HydrophobicContact CE1-CD1 3.89Å |
| 168 | L | 89.1 | Confident | 89.1 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77 | -21.3 | -175.8 | -71.1 | 172.5 | 0 | 0 | 0 | 113.7 | I152 L164 T165 R170 F171 G172 V174 V194 F196 V205 | I152-L168 HydrophobicContact CD1-CD1 4.05Å; I152-L168 HydrophobicContact CD1-CD2 4.45Å; I152-L168 HydrophobicContact CG1-CD1 4.14Å; L164-L168 HydrophobicContact CD1-CD1 3.73Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 WeakPolarHBondContact O-CB 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.33Å; L164-L168 PolarHBondContact O-N 3.47Å; T165-L168 PolarHBondContact O-N 2.94Å; L168-R170 PolarHBondContact O-N 3.34Å; L168-R170 VanDerWaalsContact O-N 3.08Å; L168-F171 HydrophobicContact CD2-CD2 4.27Å; L168-F171 PolarHBondContact O-N 2.61Å; L168-G172 PolarHBondContact O-N 2.78Å; L168-V174 HydrophobicContact CB-CG2 3.98Å; L168-V194 HydrophobicContact CD1-CB 4.01Å; L168-V194 HydrophobicContact CD1-CG1 3.86Å; L168-V194 HydrophobicContact CD1-CG2 3.56Å; L168-F196 HydrophobicContact CB-CE1 4.29Å; L168-F196 HydrophobicContact CB-CZ 3.87Å; L168-F196 HydrophobicContact CD1-CZ 4.47Å; L168-F196 HydrophobicContact CD2-CZ 4.23Å; L168-F196 HydrophobicContact CG-CZ 4.41Å; L168-V205 HydrophobicContact CD2-CG1 4.4Å; L168-V205 HydrophobicContact CD2-CG2 4.23Å |
| 169 | S | 89.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 48% | 0.476 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -19.8 | 176.9 | -167.2 | 0 | 0 | 0 | 0 | 113.1 | T165 Y167 F171 G172 | T165-S169 VanDerWaalsContact O-CB 3.25Å; T165-S169 WeakPolarHBondContact O-CB 3.19Å; T165-S169 PolarHBondContact O-N 3.31Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; S169-F171 PolarHBondContact O-N 3.42Å; S169-G172 VanDerWaalsContact CA-O 3.31Å; S169-G172 WeakPolarHBondContact CA-O 3.38Å |
| 170 | R | 89.8 | Confident | 89.4 | Confident | 159 Ų | 159 | 58.6 Ų | 58.6 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -22.2 | 174.5 | 80.1 | -173 | 66.6 | -167.8 | -10.4 | 113.6 | Y167 L168 | Y167-R170 VanDerWaalsContact CE2-CZ 3.44Å; Y167-R170 WeakPolarHBondContact O-CD 3.45Å; Y167-R170 WeakPolarHBondContact O-CG 3.38Å; Y167-R170 PolarHBondContact O-NE 3.3Å; L168-R170 PolarHBondContact O-N 3.34Å; L168-R170 VanDerWaalsContact O-N 3.08Å |
| 171 | F | 88 | Confident | 89.4 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -24.6 | -178.4 | -56.2 | -67.7 | 0 | 0 | 0 | 112.2 | Y167 L168 S169 V205 L208 H211 | Y167-F171 HydrophobicContact CD1-CE2 4.47Å; Y167-F171 AromaticContact CE1-CE2 3.99Å; Y167-F171 HydrophobicContact CE1-CE2 3.99Å; L168-F171 HydrophobicContact CD2-CD2 4.27Å; L168-F171 PolarHBondContact O-N 2.61Å; S169-F171 PolarHBondContact O-N 3.42Å; F171-V205 HydrophobicContact CB-CG2 3.47Å; F171-V205 VanDerWaalsContact CB-CG2 3.47Å; F171-V205 HydrophobicContact CD1-CG2 4.32Å; F171-V205 HydrophobicContact CD2-CG2 3.55Å; F171-V205 HydrophobicContact CE2-CG2 4.37Å; F171-V205 HydrophobicContact CG-CG2 3.51Å; F171-L208 HydrophobicContact CD1-CD1 4.36Å; F171-L208 HydrophobicContact CE1-CD1 3.22Å; F171-L208 HydrophobicContact CE1-CG 4.37Å; F171-L208 HydrophobicContact CZ-CD1 3.4Å; F171-H211 AromaticContact CE2-CE1 3.8Å; F171-H211 AromaticContact CE2-ND1 3.99Å; F171-H211 AromaticContact CZ-CE1 3.68Å; F171-H211 AromaticContact CZ-ND1 3.98Å |
| 172 | G | 88.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 172.6 | 173.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | L168 S169 V174 S201 | L168-G172 PolarHBondContact O-N 2.78Å; S169-G172 VanDerWaalsContact CA-O 3.31Å; S169-G172 WeakPolarHBondContact CA-O 3.38Å; G172-V174 PolarHBondContact O-N 2.8Å; G172-S201 WeakPolarHBondContact CA-OG 3.28Å |
| 173 | E | 89.6 | Confident | 89 | Confident | 107 Ų | 107 | 56.3 Ų | 56.3 | 50% | 0.5 | 30% | 0.299 | S | S | . | . | trans | -68.2 | 117.5 | -179.6 | -166.7 | -178.2 | 149.4 | 0 | 0 | 110.5 | F196 K197 | E173-F196 WeakPolarHBondContact O-CA 3.3Å; E173-K197 HydrophobicContact CB-CB 4.23Å; E173-K197 HydrophobicContact CB-CD 4.32Å; E173-K197 VanDerWaalsContact CD-CD 3.4Å; E173-K197 HydrophobicContact CG-CD 4.25Å; E173-K197 PolarHBondContact O-N 3.35Å; E173-K197 WeakPolarHBondContact OE1-CD 3.18Å; E173-K197 IonicContact OE1-NZ 2.71Å; E173-K197 PolarHBondContact OE1-NZ 2.8Å; E173-K197 WeakPolarHBondContact OE2-CD 3.29Å; E173-K197 IonicContact OE2-NZ 2.95Å; E173-K197 PolarHBondContact OE2-NZ 3.48Å | ||
| 174 | V | 90.1 | Very high | 88.7 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.2 | 177 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | T165 L168 G172 D176 C177 V194 F196 | T165-V174 HydrophobicContact CG2-CB 4Å; T165-V174 HydrophobicContact CG2-CG1 4.12Å; T165-V174 HydrophobicContact CG2-CG2 4.45Å; L168-V174 HydrophobicContact CB-CG2 3.98Å; G172-V174 PolarHBondContact O-N 2.8Å; V174-D176 WeakPolarHBondContact CG1-O 3.48Å; V174-C177 HydrophobicContact CG1-CB 4.25Å; V174-V194 HydrophobicContact CB-CG1 4.41Å; V174-V194 HydrophobicContact CG1-CG1 3.56Å; V174-V194 HydrophobicContact CG2-CG1 4Å; V174-F196 HydrophobicContact CG2-CD1 4.02Å; V174-F196 HydrophobicContact CG2-CE1 3.67Å; V174-F196 HydrophobicContact CG2-CZ 4.28Å |
| 175 | V | 88.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 53% | 0.527 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -44.2 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | L195 K197 | V175-L195 HydrophobicContact CB-CD2 4.35Å; V175-L195 HydrophobicContact CB-CG 4.33Å; V175-L195 HydrophobicContact CG1-CD2 4.23Å; V175-L195 PolarHBondContact N-O 3.25Å; V175-K197 HydrophobicContact CG2-CB 3.65Å; V175-K197 HydrophobicContact CG2-CG 4.3Å |
| 176 | D | 86.2 | Confident | 88.3 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 155.3 | 177 | -167.8 | 21.4 | 0 | 0 | 0 | 111.5 | I138 K161 V174 V194 L195 | I138-D176 VanDerWaalsContact CA-OD2 3.3Å; I138-D176 WeakPolarHBondContact CA-OD2 3.44Å; I138-D176 HydrophobicContact CG2-CB 4.4Å; I138-D176 WeakPolarHBondContact CG2-OD2 3.01Å; K161-D176 IonicContact NZ-OD1 2.75Å; K161-D176 PolarHBondContact NZ-OD1 2.78Å; V174-D176 WeakPolarHBondContact CG1-O 3.48Å; D176-V194 CarbonylContact O-C 3.56Å; D176-V194 WeakPolarHBondContact O-CA 3.26Å; D176-L195 HydrophobicContact CB-CB 4.38Å; D176-L195 PolarHBondContact N-O 3.46Å; D176-L195 PolarHBondContact O-N 2.84Å |
| 177 | C | 89 | Confident | 88.1 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 140.6 | 174.8 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | K161 T165 V174 F193 V194 | K161-C177 VanDerWaalsContact CD-O 3.31Å; K161-C177 WeakPolarHBondContact CD-O 3.5Å; K161-C177 WeakPolarHBondContact CE-O 3.31Å; K161-C177 WeakPolarHBondContact CE-SG 3.45Å; K161-C177 HydrophobicContact CG-CB 4.34Å; K161-C177 WeakPolarHBondContact CG-SG 3.16Å; K161-C177 PolarHBondContact NZ-O 2.83Å; K161-C177 VanDerWaalsContact NZ-O 3.09Å; T165-C177 PolarHBondContact OG1-SG 2.97Å; V174-C177 HydrophobicContact CG1-CB 4.25Å; C177-F193 CarbonylContact C-O 3.38Å; C177-F193 WeakPolarHBondContact CA-O 3.42Å; C177-V194 HydrophobicContact CB-CB 4.49Å; C177-V194 HydrophobicContact CB-CG1 4.36Å; C177-V194 HydrophobicContact CB-CG2 3.93Å |
| 178 | T | 88.8 | Confident | 88 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 116.3 | -175.5 | -68.6 | 0 | 0 | 0 | 0 | 108.8 | K180 G192 F193 | T178-K180 HydrophobicContact CG2-CD 4.38Å; T178-G192 CarbonylContact O-C 3.48Å; T178-G192 WeakPolarHBondContact O-CA 3.31Å; T178-F193 PolarHBondContact N-O 2.65Å; T178-F193 PolarHBondContact O-N 2.68Å |
| 179 | I | 90.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 134.3 | 170.6 | -61 | -177.8 | 0 | 0 | 0 | 108.2 | L155 T159 S160 L164 T181 S188 | L155-I179 HydrophobicContact CD1-CD1 4.44Å; L155-I179 HydrophobicContact CD1-CG1 4.37Å; T159-I179 HydrophobicContact CG2-CD1 4.44Å; T159-I179 VanDerWaalsContact O-CD1 3.26Å; T159-I179 WeakPolarHBondContact O-CD1 3.18Å; S160-I179 WeakPolarHBondContact O-CD1 3.47Å; L164-I179 HydrophobicContact CD2-CG1 4.25Å; I179-T181 PolarHBondContact O-N 2.75Å; I179-S188 WeakPolarHBondContact CG2-OG 3.2Å |
| 180 | K | 88.4 | Confident | 87.9 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.7 | 176.5 | -68.7 | -56.9 | -172.5 | -172.8 | 0 | 109.3 | T178 R189 F191 F193 | T178-K180 HydrophobicContact CG2-CD 4.38Å; K180-R189 WeakPolarHBondContact O-CB 3.34Å; K180-R189 WeakPolarHBondContact O-CG 3.49Å; K180-R189 PolarHBondContact O-N 3.32Å; K180-F191 HydrophobicContact CB-CD2 4.09Å; K180-F191 HydrophobicContact CB-CE1 4.41Å; K180-F191 HydrophobicContact CB-CE2 3.58Å; K180-F191 HydrophobicContact CB-CZ 3.75Å; K180-F191 HydrophobicContact CG-CD2 4.13Å; K180-F191 HydrophobicContact CG-CE2 3.52Å; K180-F191 HydrophobicContact CG-CZ 4.1Å; K180-F191 PolarHBondContact N-O 3Å; K180-F193 HydrophobicContact CG-CD2 4.31Å; K180-F193 HydrophobicContact CG-CE2 4.14Å |
| 181 | T | 90.1 | Very high | 88 | Confident | 68 Ų | 68 | 63.3 Ų | 63.3 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 156.8 | 170.2 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | I179 R187 | I179-T181 PolarHBondContact O-N 2.75Å; T181-R187 CarbonylContact C-O 3.58Å; T181-R187 WeakPolarHBondContact CA-O 3.29Å |
| 182 | D | 86.7 | Confident | 88.2 | Confident | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | trans | -71.6 | 123.2 | 169.9 | 176.2 | 3.4 | 0 | 0 | 0 | 109 | V184 T185 G186 R187 R189 | D182-V184 PolarHBondContact O-N 2.81Å; D182-V184 PolarHBondContact OD1-N 3.04Å; D182-T185 WeakPolarHBondContact CB-OG1 3.44Å; D182-T185 VanDerWaalsContact CG-OG1 3.27Å; D182-T185 WeakPolarHBondContact OD2-CG2 3.44Å; D182-T185 PolarHBondContact OD2-OG1 2.81Å; D182-G186 VanDerWaalsContact O-CA 3.24Å; D182-G186 WeakPolarHBondContact O-CA 3.48Å; D182-G186 PolarHBondContact O-N 2.89Å; D182-R187 PolarHBondContact N-O 2.89Å; D182-R189 HydrophobicContact CB-CG 4.46Å | ||
| 183 | P | 84.4 | Confident | 88.4 | Confident | 125 Ų | 125 | 62.9 Ų | 62.9 | 81% | 0.812 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.9 | -177.7 | 27 | -36.6 | 0 | 0 | 0 | 114 | ||
| 184 | V | 84.3 | Confident | 88.4 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 79% | 0.788 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -45.8 | -178.9 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | D182 | D182-V184 PolarHBondContact O-N 2.81Å; D182-V184 PolarHBondContact OD1-N 3.04Å |
| 185 | T | 87.5 | Confident | 88.4 | Confident | 91 Ų | 91 | 57.7 Ų | 57.7 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -12 | -173.8 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | D182 R187 | D182-T185 WeakPolarHBondContact CB-OG1 3.44Å; D182-T185 VanDerWaalsContact CG-OG1 3.27Å; D182-T185 WeakPolarHBondContact OD2-CG2 3.44Å; D182-T185 PolarHBondContact OD2-OG1 2.81Å; T185-R187 PolarHBondContact O-N 3.15Å; T185-R187 VanDerWaalsContact O-N 3.07Å; T185-R187 PolarHBondContact OG1-N 3.01Å |
| 186 | G | 84.1 | Confident | 88.5 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 55% | 0.546 | 29% | 0.291 | S | S | . | . | trans | 69.1 | -5.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.1 | D182 | D182-G186 VanDerWaalsContact O-CA 3.24Å; D182-G186 WeakPolarHBondContact O-CA 3.48Å; D182-G186 PolarHBondContact O-N 2.89Å | ||
| 187 | R | 86.1 | Confident | 88.6 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | trans | -70.7 | 138.8 | -176.5 | -174 | 177.2 | -77.5 | -177.2 | -4.2 | 110.8 | T181 D182 T185 R189 | T181-R187 CarbonylContact C-O 3.58Å; T181-R187 WeakPolarHBondContact CA-O 3.29Å; D182-R187 PolarHBondContact N-O 2.89Å; T185-R187 PolarHBondContact O-N 3.15Å; T185-R187 VanDerWaalsContact O-N 3.07Å; T185-R187 PolarHBondContact OG1-N 3.01Å; R187-R189 PolarHBondContact O-N 3.34Å | ||
| 188 | S | 89.3 | Confident | 88.5 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 134 | 172.3 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | W157 I179 G190 | W157-S188 WeakPolarHBondContact O-CB 3.48Å; I179-S188 WeakPolarHBondContact CG2-OG 3.2Å; S188-G190 PolarHBondContact O-N 3.33Å; S188-G190 PolarHBondContact OG-N 3.15Å |
| 189 | R | 87.4 | Confident | 88.4 | Confident | 152 Ų | 152 | 62.7 Ų | 62.7 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 3.2 | 175.2 | -58.8 | 177.2 | 63.3 | -176.3 | -3.1 | 112.1 | K180 D182 R187 F191 | K180-R189 WeakPolarHBondContact O-CB 3.34Å; K180-R189 WeakPolarHBondContact O-CG 3.49Å; K180-R189 PolarHBondContact O-N 3.32Å; D182-R189 HydrophobicContact CB-CG 4.46Å; R187-R189 PolarHBondContact O-N 3.34Å; R189-F191 VanDerWaalsContact C-N 3.3Å; R189-F191 HydrophobicContact CB-CD1 3.69Å; R189-F191 HydrophobicContact CB-CE1 3.39Å; R189-F191 HydrophobicContact CB-CZ 4.27Å; R189-F191 HydrophobicContact CG-CE1 4.31Å; R189-F191 WeakPolarHBondContact O-CD1 3.21Å; R189-F191 PolarHBondContact O-N 2.85Å |
| 190 | G | 89.2 | Confident | 88.3 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 9% | 0.093 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.7 | 22.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G154 L155 S188 | G154-G190 PolarHBondContact N-O 3.1Å; G154-G190 VanDerWaalsContact N-O 3.09Å; L155-G190 PolarHBondContact N-O 2.87Å; L155-G190 WeakPolarHBondContact O-CA 3.33Å; S188-G190 PolarHBondContact O-N 3.33Å; S188-G190 PolarHBondContact OG-N 3.15Å |
| 191 | F | 91.6 | Very high | 88.4 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 156 | 173 | 70.7 | -91.4 | 0 | 0 | 0 | 111.9 | F151 I152 K180 R189 F193 | F151-F191 HydrophobicContact CD2-CD2 4.41Å; F151-F191 HydrophobicContact CE2-CB 3.85Å; F151-F191 AromaticContact CE2-CD2 3.6Å; F151-F191 HydrophobicContact CE2-CD2 3.6Å; F151-F191 HydrophobicContact CE2-CE2 4.41Å; F151-F191 AromaticContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CE2-CG 3.95Å; F151-F191 HydrophobicContact CZ-CB 3.88Å; F151-F191 HydrophobicContact CZ-CD2 4.4Å; F151-F191 HydrophobicContact CZ-CG 4.32Å; I152-F191 CarbonylContact O-C 3.58Å; I152-F191 WeakPolarHBondContact O-CA 3.33Å; I152-F191 WeakPolarHBondContact O-CB 3.06Å; K180-F191 HydrophobicContact CB-CD2 4.09Å; K180-F191 HydrophobicContact CB-CE1 4.41Å; K180-F191 HydrophobicContact CB-CE2 3.58Å; K180-F191 HydrophobicContact CB-CZ 3.75Å; K180-F191 HydrophobicContact CG-CD2 4.13Å; K180-F191 HydrophobicContact CG-CE2 3.52Å; K180-F191 HydrophobicContact CG-CZ 4.1Å; K180-F191 PolarHBondContact N-O 3Å; R189-F191 VanDerWaalsContact C-N 3.3Å; R189-F191 HydrophobicContact CB-CD1 3.69Å; R189-F191 HydrophobicContact CB-CE1 3.39Å; R189-F191 HydrophobicContact CB-CZ 4.27Å; R189-F191 HydrophobicContact CG-CE1 4.31Å; R189-F191 WeakPolarHBondContact O-CD1 3.21Å; R189-F191 PolarHBondContact O-N 2.85Å; F191-F193 HydrophobicContact CD2-CE2 4.43Å; F191-F193 HydrophobicContact CE2-CE2 4.21Å |
| 192 | G | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I152 T178 | I152-G192 PolarHBondContact N-O 3.11Å; I152-G192 PolarHBondContact O-N 3.39Å; T178-G192 CarbonylContact O-C 3.48Å; T178-G192 WeakPolarHBondContact O-CA 3.31Å |
| 193 | F | 92.1 | Very high | 88.4 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 16% | 0.158 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.7 | 171.5 | -64.7 | -85.3 | 0 | 0 | 0 | 109 | M150 F151 C177 T178 K180 F191 A223 | M150-F193 CarbonylContact O-C 3.59Å; M150-F193 VanDerWaalsContact O-CA 3.31Å; M150-F193 WeakPolarHBondContact O-CA 3.21Å; F151-F193 HydrophobicContact CB-CD1 4.32Å; F151-F193 HydrophobicContact CB-CE1 4.16Å; F151-F193 HydrophobicContact CD2-CD1 4.39Å; F151-F193 AromaticContact CD2-CE1 3.8Å; F151-F193 HydrophobicContact CD2-CE1 3.8Å; F151-F193 AromaticContact CD2-CZ 3.95Å; F151-F193 HydrophobicContact CD2-CZ 3.95Å; F151-F193 HydrophobicContact CG-CE1 4.48Å; C177-F193 CarbonylContact C-O 3.38Å; C177-F193 WeakPolarHBondContact CA-O 3.42Å; T178-F193 PolarHBondContact N-O 2.65Å; T178-F193 PolarHBondContact O-N 2.68Å; K180-F193 HydrophobicContact CG-CD2 4.31Å; K180-F193 HydrophobicContact CG-CE2 4.14Å; F191-F193 HydrophobicContact CD2-CE2 4.43Å; F191-F193 HydrophobicContact CE2-CE2 4.21Å; F193-A223 HydrophobicContact CD1-CB 4.29Å |
| 194 | V | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139.1 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | K149 M150 I152 L164 L168 V174 D176 C177 F196 | K149-V194 CarbonylContact C-O 3.56Å; K149-V194 WeakPolarHBondContact CA-O 3.48Å; M150-V194 PolarHBondContact N-O 2.61Å; M150-V194 PolarHBondContact O-N 3.33Å; I152-V194 HydrophobicContact CG1-CG2 3.87Å; L164-V194 HydrophobicContact CD2-CG2 3.73Å; L164-V194 HydrophobicContact CG-CG2 4.13Å; L168-V194 HydrophobicContact CD1-CB 4.01Å; L168-V194 HydrophobicContact CD1-CG1 3.86Å; L168-V194 HydrophobicContact CD1-CG2 3.56Å; V174-V194 HydrophobicContact CB-CG1 4.41Å; V174-V194 HydrophobicContact CG1-CG1 3.56Å; V174-V194 HydrophobicContact CG2-CG1 4Å; D176-V194 CarbonylContact O-C 3.56Å; D176-V194 WeakPolarHBondContact O-CA 3.26Å; C177-V194 HydrophobicContact CB-CB 4.49Å; C177-V194 HydrophobicContact CB-CG1 4.36Å; C177-V194 HydrophobicContact CB-CG2 3.93Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 4.12Å; V194-F196 HydrophobicContact CG1-CZ 4.41Å |
| 195 | L | 89.3 | Confident | 88.9 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 113.9 | 176.3 | -178.3 | 65.8 | 0 | 0 | 0 | 107.3 | D146 K149 V175 D176 | D146-L195 HydrophobicContact CB-CD1 4.14Å; K149-L195 HydrophobicContact CB-CD1 3.99Å; V175-L195 HydrophobicContact CB-CD2 4.35Å; V175-L195 HydrophobicContact CB-CG 4.33Å; V175-L195 HydrophobicContact CG1-CD2 4.23Å; V175-L195 PolarHBondContact N-O 3.25Å; D176-L195 HydrophobicContact CB-CB 4.38Å; D176-L195 PolarHBondContact N-O 3.46Å; D176-L195 PolarHBondContact O-N 2.84Å |
| 196 | F | 90.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.022 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 153.4 | 169.3 | -71.4 | -82.8 | 0 | 0 | 0 | 110.3 | G148 M150 L168 E173 V174 V194 D198 V202 V205 | G148-F196 PolarHBondContact O-N 2.95Å; M150-F196 HydrophobicContact CB-CE2 4.47Å; M150-F196 HydrophobicContact CE-CD2 4.17Å; M150-F196 HydrophobicContact CE-CE2 3.53Å; M150-F196 HydrophobicContact CE-CZ 4.4Å; M150-F196 HydrophobicContact SD-CE2 4.44Å; L168-F196 HydrophobicContact CB-CE1 4.29Å; L168-F196 HydrophobicContact CB-CZ 3.87Å; L168-F196 HydrophobicContact CD1-CZ 4.47Å; L168-F196 HydrophobicContact CD2-CZ 4.23Å; L168-F196 HydrophobicContact CG-CZ 4.41Å; E173-F196 WeakPolarHBondContact O-CA 3.3Å; V174-F196 HydrophobicContact CG2-CD1 4.02Å; V174-F196 HydrophobicContact CG2-CE1 3.67Å; V174-F196 HydrophobicContact CG2-CZ 4.28Å; V194-F196 HydrophobicContact CG1-CD2 4.42Å; V194-F196 HydrophobicContact CG1-CE2 4.12Å; V194-F196 HydrophobicContact CG1-CZ 4.41Å; F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 WeakPolarHBondContact CB-O 3.16Å; F196-V202 HydrophobicContact CB-CG2 4.42Å; F196-V202 HydrophobicContact CD2-CG2 3.77Å; F196-V202 HydrophobicContact CG-CG2 4.44Å; F196-V205 HydrophobicContact CE2-CG2 4.46Å; F196-V205 HydrophobicContact CZ-CG2 4.08Å |
| 197 | K | 88.1 | Confident | 89.2 | Confident | 117 Ų | 117 | 55.2 Ų | 55.2 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -65.8 | -42 | 171.2 | -171.3 | 173 | 179.9 | 174.3 | 0 | 111.2 | E173 V175 | E173-K197 HydrophobicContact CB-CB 4.23Å; E173-K197 HydrophobicContact CB-CD 4.32Å; E173-K197 VanDerWaalsContact CD-CD 3.4Å; E173-K197 HydrophobicContact CG-CD 4.25Å; E173-K197 PolarHBondContact O-N 3.35Å; E173-K197 WeakPolarHBondContact OE1-CD 3.18Å; E173-K197 IonicContact OE1-NZ 2.71Å; E173-K197 PolarHBondContact OE1-NZ 2.8Å; E173-K197 WeakPolarHBondContact OE2-CD 3.29Å; E173-K197 IonicContact OE2-NZ 2.95Å; E173-K197 PolarHBondContact OE2-NZ 3.48Å; V175-K197 HydrophobicContact CG2-CB 3.65Å; V175-K197 HydrophobicContact CG2-CG 4.3Å |
| 198 | D | 87.5 | Confident | 89.1 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -112 | 136 | -178.5 | -60.4 | -47.3 | 0 | 0 | 0 | 111.4 | F196 A200 S201 | F196-D198 VanDerWaalsContact C-N 3.34Å; F196-D198 WeakPolarHBondContact CB-O 3.16Å; D198-A200 PolarHBondContact O-N 2.86Å; D198-S201 WeakPolarHBondContact O-CB 3.3Å; D198-S201 PolarHBondContact O-N 2.92Å |
| 199 | A | 87.4 | Confident | 88.5 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.1 | -28.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D147 S201 V202 D203 | D147-A199 HydrophobicContact CB-CB 3.78Å; A199-S201 PolarHBondContact O-N 3.12Å; A199-V202 VanDerWaalsContact O-CB 3.28Å; A199-V202 WeakPolarHBondContact O-CB 3.42Å; A199-V202 PolarHBondContact O-N 2.87Å; A199-D203 PolarHBondContact O-N 3.2Å |
| 200 | A | 89 | Confident | 88.4 | Confident | 59 Ų | 59 | 60.9 Ų | 60.9 | 49% | 0.488 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -29.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D198 V202 D203 K204 | D198-A200 PolarHBondContact O-N 2.86Å; A200-V202 VanDerWaalsContact C-N 3.26Å; A200-V202 PolarHBondContact O-N 2.89Å; A200-D203 PolarHBondContact O-N 3.4Å; A200-K204 WeakPolarHBondContact O-CG 3.3Å; A200-K204 PolarHBondContact O-N 3Å; A200-K204 VanDerWaalsContact O-N 3.16Å |
| 201 | S | 89.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -33.2 | 174.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | G172 D198 A199 D203 K204 V205 | G172-S201 WeakPolarHBondContact CA-OG 3.28Å; D198-S201 WeakPolarHBondContact O-CB 3.3Å; D198-S201 PolarHBondContact O-N 2.92Å; A199-S201 PolarHBondContact O-N 3.12Å; S201-D203 VanDerWaalsContact C-N 3.34Å; S201-K204 PolarHBondContact O-N 3.4Å; S201-V205 WeakPolarHBondContact O-CG2 3.43Å; S201-V205 PolarHBondContact O-N 2.74Å |
| 202 | V | 87.7 | Confident | 88.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | D147 M150 F196 A199 A200 V205 L206 R222 | D147-V202 WeakPolarHBondContact O-CG2 3.25Å; M150-V202 VanDerWaalsContact CE-CA 3.43Å; M150-V202 HydrophobicContact CE-CB 3.83Å; M150-V202 HydrophobicContact CE-CG1 3.61Å; M150-V202 HydrophobicContact CE-CG2 3.97Å; M150-V202 HydrophobicContact CG-CG1 4.3Å; F196-V202 HydrophobicContact CB-CG2 4.42Å; F196-V202 HydrophobicContact CD2-CG2 3.77Å; F196-V202 HydrophobicContact CG-CG2 4.44Å; A199-V202 VanDerWaalsContact O-CB 3.28Å; A199-V202 WeakPolarHBondContact O-CB 3.42Å; A199-V202 PolarHBondContact O-N 2.87Å; A200-V202 VanDerWaalsContact C-N 3.26Å; A200-V202 PolarHBondContact O-N 2.89Å; V202-V205 PolarHBondContact O-N 2.86Å; V202-L206 HydrophobicContact CG1-CD1 3.87Å; V202-L206 HydrophobicContact CG1-CG 4.48Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.22Å; V202-L206 PolarHBondContact O-N 3.39Å; V202-R222 HydrophobicContact CG1-CG 4.16Å |
| 203 | D | 89.2 | Confident | 88 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.6 | -69.5 | -36.9 | 0 | 0 | 0 | 112.7 | A199 A200 S201 V205 L206 E207 R222 | A199-D203 PolarHBondContact O-N 3.2Å; A200-D203 PolarHBondContact O-N 3.4Å; S201-D203 VanDerWaalsContact C-N 3.34Å; D203-V205 VanDerWaalsContact C-N 3.3Å; D203-V205 PolarHBondContact O-N 2.92Å; D203-L206 PolarHBondContact O-N 3.3Å; D203-L206 VanDerWaalsContact O-N 3.15Å; D203-E207 WeakPolarHBondContact O-CB 3.4Å; D203-E207 PolarHBondContact O-N 3.13Å; D203-R222 IonicContact OD1-CZ 3.63Å; D203-R222 IonicContact OD1-NE 3Å; D203-R222 IonicContact OD1-NH2 3.93Å; D203-R222 PolarHBondContact OD1-NH2 3.14Å; D203-R222 IonicContact OD2-NH2 2.89Å |
| 204 | K | 89.9 | Confident | 87.6 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 175.1 | -68.8 | 173.8 | -174.1 | 176.7 | 0 | 113 | A200 S201 | A200-K204 WeakPolarHBondContact O-CG 3.3Å; A200-K204 PolarHBondContact O-N 3Å; A200-K204 VanDerWaalsContact O-N 3.16Å; S201-K204 PolarHBondContact O-N 3.4Å |
| 205 | V | 89.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | M150 L168 F171 F196 S201 V202 D203 E207 L208 H211 P220 | M150-V205 HydrophobicContact CE-CB 3.42Å; M150-V205 VanDerWaalsContact CE-CB 3.42Å; M150-V205 HydrophobicContact CE-CG1 3.63Å; M150-V205 HydrophobicContact CE-CG2 3.76Å; M150-V205 HydrophobicContact SD-CB 4.18Å; M150-V205 HydrophobicContact SD-CG1 3.68Å; L168-V205 HydrophobicContact CD2-CG1 4.4Å; L168-V205 HydrophobicContact CD2-CG2 4.23Å; F171-V205 HydrophobicContact CB-CG2 3.47Å; F171-V205 VanDerWaalsContact CB-CG2 3.47Å; F171-V205 HydrophobicContact CD1-CG2 4.32Å; F171-V205 HydrophobicContact CD2-CG2 3.55Å; F171-V205 HydrophobicContact CE2-CG2 4.37Å; F171-V205 HydrophobicContact CG-CG2 3.51Å; F196-V205 HydrophobicContact CE2-CG2 4.46Å; F196-V205 HydrophobicContact CZ-CG2 4.08Å; S201-V205 WeakPolarHBondContact O-CG2 3.43Å; S201-V205 PolarHBondContact O-N 2.74Å; V202-V205 PolarHBondContact O-N 2.86Å; D203-V205 VanDerWaalsContact C-N 3.3Å; D203-V205 PolarHBondContact O-N 2.92Å; V205-E207 VanDerWaalsContact C-N 3.27Å; V205-E207 PolarHBondContact O-N 2.95Å; V205-L208 PolarHBondContact O-N 2.89Å; V205-L208 VanDerWaalsContact O-N 3.1Å; V205-H211 WeakPolarHBondContact CG1-NE2 3.29Å; V205-H211 PolarHBondContact O-NE2 2.86Å; V205-P220 HydrophobicContact CG1-CB 3.53Å; V205-P220 HydrophobicContact CG1-CG 3.62Å |
| 206 | L | 88.9 | Confident | 87.2 | Confident | 63 Ų | 63 | 73.4 Ų | 73.4 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.6 | -25.4 | -179.3 | -66.9 | 168.3 | 0 | 0 | 0 | 113.9 | V202 D203 L208 P220 R222 | V202-L206 HydrophobicContact CG1-CD1 3.87Å; V202-L206 HydrophobicContact CG1-CG 4.48Å; V202-L206 VanDerWaalsContact O-CG 3.29Å; V202-L206 WeakPolarHBondContact O-CG 3.22Å; V202-L206 PolarHBondContact O-N 3.39Å; D203-L206 PolarHBondContact O-N 3.3Å; D203-L206 VanDerWaalsContact O-N 3.15Å; L206-L208 PolarHBondContact O-N 3.11Å; L206-P220 WeakPolarHBondContact CD2-O 3.34Å; L206-R222 HydrophobicContact CD1-CG 3.5Å |
| 207 | E | 88.3 | Confident | 87.2 | Confident | 163 Ų | 163 | 78.6 Ų | 78.6 | 76% | 0.762 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63 | -32.9 | 172.6 | -172.3 | 171.7 | -162.1 | 0 | 0 | 111.2 | D203 V205 K209 | D203-E207 WeakPolarHBondContact O-CB 3.4Å; D203-E207 PolarHBondContact O-N 3.13Å; V205-E207 VanDerWaalsContact C-N 3.27Å; V205-E207 PolarHBondContact O-N 2.95Å; E207-K209 PolarHBondContact O-N 2.9Å |
| 208 | L | 85.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | trans | -81.3 | 109.1 | 169 | -68.1 | -178.1 | 0 | 0 | 0 | 110.3 | F171 V205 L206 E210 H211 | F171-L208 HydrophobicContact CD1-CD1 4.36Å; F171-L208 HydrophobicContact CE1-CD1 3.22Å; F171-L208 HydrophobicContact CE1-CG 4.37Å; F171-L208 HydrophobicContact CZ-CD1 3.4Å; V205-L208 PolarHBondContact O-N 2.89Å; V205-L208 VanDerWaalsContact O-N 3.1Å; L206-L208 PolarHBondContact O-N 3.11Å; L208-E210 PolarHBondContact O-N 3.05Å; L208-H211 WeakPolarHBondContact CB-NE2 3.34Å; L208-H211 PolarHBondContact O-CD2 3.14Å; L208-H211 PolarHBondContact O-NE2 2.79Å; L208-H211 VanDerWaalsContact O-NE2 3.11Å | ||
| 209 | K | 76.6 | Confident | 87.5 | Confident | 199 Ų | 199 | 74 Ų | 74 | 87% | 0.865 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -70.2 | -22.7 | -179.2 | -164.2 | 171.8 | -178.4 | 174.7 | 0 | 113.5 | E207 | E207-K209 PolarHBondContact O-N 2.9Š|
| 210 | E | 86.3 | Confident | 87.6 | Confident | 156 Ų | 156 | 72.6 Ų | 72.6 | 73% | 0.729 | 38% | 0.375 | S | S | * | . | trans | -129.7 | 121.8 | -175.5 | -64 | -172.8 | 156.9 | 0 | 0 | 110.9 | L208 | L208-E210 PolarHBondContact O-N 3.05Š| ||
| 211 | H | 87.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.1 | 174.5 | -68.2 | -87.7 | 0 | 0 | 0 | 109.8 | Y167 F171 V205 L208 L217 I218 P220 | Y167-H211 HydrophobicContact CE1-CB 4.23Å; Y167-H211 AromaticContact CE1-ND1 3.64Å; Y167-H211 AromaticContact CZ-ND1 3.85Å; Y167-H211 PolarHBondContact OH-ND1 3.21Å; Y167-H211 VanDerWaalsContact OH-ND1 3.15Å; F171-H211 AromaticContact CE2-CE1 3.8Å; F171-H211 AromaticContact CE2-ND1 3.99Å; F171-H211 AromaticContact CZ-CE1 3.68Å; F171-H211 AromaticContact CZ-ND1 3.98Å; V205-H211 WeakPolarHBondContact CG1-NE2 3.29Å; V205-H211 PolarHBondContact O-NE2 2.86Å; L208-H211 WeakPolarHBondContact CB-NE2 3.34Å; L208-H211 PolarHBondContact O-CD2 3.14Å; L208-H211 PolarHBondContact O-NE2 2.79Å; L208-H211 VanDerWaalsContact O-NE2 3.11Å; H211-L217 CarbonylContact O-C 3.55Å; H211-L217 WeakPolarHBondContact O-CA 3.24Å; H211-I218 HydrophobicContact CB-CD1 3.7Å; H211-I218 HydrophobicContact CB-CG1 3.21Å; H211-I218 PolarHBondContact O-N 3.47Å; H211-P220 WeakPolarHBondContact CD2-CG 3.48Å |
| 212 | K | 88.4 | Confident | 87.6 | Confident | 130 Ų | 130 | 80.7 Ų | 80.7 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.4 | -179.5 | -168.6 | 175.1 | 177.3 | 178.1 | 0 | 109.9 | Y167 G215 K216 L217 | Y167-K212 WeakPolarHBondContact CE2-O 3.43Å; K212-G215 VanDerWaalsContact CE-O 3.3Å; K212-G215 WeakPolarHBondContact CE-O 3.03Å; K212-K216 CarbonylContact C-O 3.59Å; K212-K216 VanDerWaalsContact CA-O 3.3Å; K212-K216 WeakPolarHBondContact CA-O 3.43Å; K212-L217 HydrophobicContact CB-CD2 4.29Å |
| 213 | L | 87.5 | Confident | 87.4 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 7% | 0.068 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.8 | 177.9 | -167.7 | 76.9 | 0 | 0 | 0 | 108.4 | L155 T159 L164 Y167 G215 K216 I218 | L155-L213 HydrophobicContact CD2-CD2 4.08Å; T159-L213 HydrophobicContact CG2-CD2 3.42Å; T159-L213 VanDerWaalsContact CG2-CD2 3.42Å; L164-L213 HydrophobicContact CD1-CD2 4.2Å; Y167-L213 VanDerWaalsContact CB-CD1 3.47Å; Y167-L213 HydrophobicContact CD1-CD1 4.39Å; Y167-L213 HydrophobicContact CD2-CD1 3.69Å; Y167-L213 HydrophobicContact CG-CD1 3.6Å; L213-G215 PolarHBondContact O-N 2.81Å; L213-G215 VanDerWaalsContact O-N 3.13Å; L213-K216 PolarHBondContact N-O 3.06Å; L213-K216 PolarHBondContact O-N 3.34Å; L213-K216 VanDerWaalsContact O-O 3.06Å; L213-I218 HydrophobicContact CB-CD1 4.38Å; L213-I218 HydrophobicContact CB-CG2 3.76Å |
| 214 | D | 83.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 86.1 Ų | 86.1 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 35.8 | 179.1 | -50.6 | -33.7 | 0 | 0 | 0 | 114.3 | T159 K216 | T159-D214 WeakPolarHBondContact CB-OD2 3.47Å; T159-D214 PolarHBondContact OG1-OD2 2.85Å; D214-K216 PolarHBondContact O-N 3.19Å |
| 215 | G | 83.6 | Confident | 85.7 | Confident | 61 Ų | 61 | 83.3 Ų | 83.3 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -4.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K212 L213 | K212-G215 VanDerWaalsContact CE-O 3.3Å; K212-G215 WeakPolarHBondContact CE-O 3.03Å; L213-G215 PolarHBondContact O-N 2.81Å; L213-G215 VanDerWaalsContact O-N 3.13Å |
| 216 | K | 88.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 91 Ų | 91 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 144.5 | -176.1 | -158.8 | 171.2 | 175.7 | -171.3 | 0 | 111.6 | G154 L155 K212 L213 D214 | G154-K216 WeakPolarHBondContact O-CD 3.14Å; G154-K216 VanDerWaalsContact O-CE 3.3Å; G154-K216 WeakPolarHBondContact O-CE 3.2Å; G154-K216 WeakPolarHBondContact O-CG 3.34Å; L155-K216 PolarHBondContact O-NZ 2.82Å; K212-K216 CarbonylContact C-O 3.59Å; K212-K216 VanDerWaalsContact CA-O 3.3Å; K212-K216 WeakPolarHBondContact CA-O 3.43Å; L213-K216 PolarHBondContact N-O 3.06Å; L213-K216 PolarHBondContact O-N 3.34Å; L213-K216 VanDerWaalsContact O-O 3.06Å; D214-K216 PolarHBondContact O-N 3.19Å |
| 217 | L | 89.9 | Confident | 82.7 | Confident | 115 Ų | 115 | 96 Ų | 96 | 60% | 0.602 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.4 | 175.4 | -70.1 | 172.3 | 0 | 0 | 0 | 109.8 | H211 K212 | H211-L217 CarbonylContact O-C 3.55Å; H211-L217 WeakPolarHBondContact O-CA 3.24Å; K212-L217 HydrophobicContact CB-CD2 4.29Å |
| 218 | I | 92.2 | Very high | 80.9 | Confident | 10 Ų | 10 | 90.9 Ų | 90.9 | 5% | 0.051 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145.5 | 176.1 | 72.2 | 176.2 | 0 | 0 | 0 | 109.2 | I152 G153 L155 Y167 H211 L213 P220 | I152-I218 HydrophobicContact CG2-CB 4.08Å; I152-I218 HydrophobicContact CG2-CD1 4.02Å; I152-I218 HydrophobicContact CG2-CG1 4.39Å; G153-I218 CarbonylContact O-C 3.56Å; G153-I218 VanDerWaalsContact O-CA 3.29Å; G153-I218 WeakPolarHBondContact O-CA 2.94Å; L155-I218 HydrophobicContact CD2-CB 4.41Å; L155-I218 HydrophobicContact CD2-CG2 3.8Å; Y167-I218 HydrophobicContact CD1-CD1 4.18Å; Y167-I218 HydrophobicContact CE1-CD1 3.89Å; H211-I218 HydrophobicContact CB-CD1 3.7Å; H211-I218 HydrophobicContact CB-CG1 3.21Å; H211-I218 PolarHBondContact O-N 3.47Å; L213-I218 HydrophobicContact CB-CD1 4.38Å; L213-I218 HydrophobicContact CB-CG2 3.76Å; I218-P220 VanDerWaalsContact O-CD 3.29Å; I218-P220 WeakPolarHBondContact O-CD 3.44Å |
| 219 | D | 89.5 | Confident | 79.4 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 88.7 | -178.7 | -177.6 | 37.6 | 0 | 0 | 0 | 109.2 | G153 | G153-D219 PolarHBondContact N-O 3.07Å; G153-D219 PolarHBondContact O-N 3.31Å |
| 220 | P | 90.1 | Very high | 78.2 | Confident | 14 Ų | 14 | 91.5 Ų | 91.5 | 9% | 0.091 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.9 | 173.1 | 25.2 | -25.7 | 0 | 0 | 0 | 110.5 | M150 F151 I152 V205 L206 H211 I218 | M150-P220 HydrophobicContact SD-CB 3.47Å; M150-P220 WeakPolarHBondContact SD-CB 3.31Å; F151-P220 CarbonylContact O-C 3.56Å; F151-P220 WeakPolarHBondContact O-CA 3.3Å; I152-P220 HydrophobicContact CD1-CB 3.75Å; V205-P220 HydrophobicContact CG1-CB 3.53Å; V205-P220 HydrophobicContact CG1-CG 3.62Å; L206-P220 WeakPolarHBondContact CD2-O 3.34Å; H211-P220 WeakPolarHBondContact CD2-CG 3.48Å; I218-P220 VanDerWaalsContact O-CD 3.29Å; I218-P220 WeakPolarHBondContact O-CD 3.44Å |
| 221 | K | 89.9 | Confident | 76.7 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.3 | 178.7 | -167.1 | 166.7 | -168.7 | 154.9 | 0 | 109.6 | M150 F151 A223 | M150-K221 WeakPolarHBondContact CG-O 3.4Å; F151-K221 HydrophobicContact CD1-CB 4.2Å; F151-K221 PolarHBondContact N-O 2.75Å; F151-K221 PolarHBondContact O-N 3.07Å; F151-K221 VanDerWaalsContact O-O 3.11Å; K221-A223 PolarHBondContact O-N 3.16Å; K221-A223 VanDerWaalsContact O-N 3.14Å |
| 222 | R | 88.4 | Confident | 75.6 | Confident | 121 Ų | 121 | 87.9 Ų | 87.9 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 126.9 | 170.1 | -67.7 | -164.1 | 171.9 | -147 | 6.3 | 109.7 | V202 D203 L206 K224 | V202-R222 HydrophobicContact CG1-CG 4.16Å; D203-R222 IonicContact OD1-CZ 3.63Å; D203-R222 IonicContact OD1-NE 3Å; D203-R222 IonicContact OD1-NH2 3.93Å; D203-R222 PolarHBondContact OD1-NH2 3.14Å; D203-R222 IonicContact OD2-NH2 2.89Å; L206-R222 HydrophobicContact CD1-CG 3.5Å; R222-K224 PolarHBondContact O-N 3.45Å |
| 223 | A | 82.7 | Confident | 75 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 117.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | K149 F151 F193 K221 A225 | K149-A223 HydrophobicContact CB-CB 4.02Å; K149-A223 HydrophobicContact CD-CB 4.03Å; K149-A223 HydrophobicContact CG-CB 3.65Å; K149-A223 WeakPolarHBondContact O-CB 3.31Å; K149-A223 PolarHBondContact O-N 2.64Å; F151-A223 HydrophobicContact CB-CB 4.44Å; F193-A223 HydrophobicContact CD1-CB 4.29Å; K221-A223 PolarHBondContact O-N 3.16Å; K221-A223 VanDerWaalsContact O-N 3.14Å; A223-A225 PolarHBondContact O-N 2.81Å; A223-A225 VanDerWaalsContact O-N 3.11Å |
| 224 | K | 77.4 | Confident | 74.9 | Confident | 169 Ų | 169 | 89.4 Ų | 89.4 | 74% | 0.735 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 116.1 | 161.7 | -66.1 | -175.3 | 178.9 | -176.1 | 0 | 105.4 | R222 L226 | R222-K224 PolarHBondContact O-N 3.45Å; K224-L226 PolarHBondContact O-N 3.42Å |
| 225 | A | 65.4 | Low | 75.1 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 44% | 0.438 | 44% | 0.441 | S | S | . | . | trans | -50.5 | 111.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | A223 K227 | A223-A225 PolarHBondContact O-N 2.81Å; A223-A225 VanDerWaalsContact O-N 3.11Å; A225-K227 PolarHBondContact O-N 3.14Å | ||
| 226 | L | 61 | Low | 75.4 | Confident | 160 Ų | 160 | 84.6 Ų | 84.6 | 84% | 0.838 | 42% | 0.422 | S | S | * | . | trans | -64.1 | 93.6 | 169.6 | -165.6 | 81.4 | 0 | 0 | 0 | 102.7 | K224 G228 | K224-L226 PolarHBondContact O-N 3.42Å; L226-G228 VanDerWaalsContact C-N 3.3Å; L226-G228 WeakPolarHBondContact O-CA 3.5Å; L226-G228 PolarHBondContact O-N 3.27Å | ||
| 227 | K | 54.8 | Low | 75.4 | Confident | 169 Ų | 169 | 80.9 Ų | 80.9 | 74% | 0.735 | 41% | 0.405 | S | S | * | . | trans | -45.9 | 104.3 | 178.5 | -80.4 | -171.2 | 175.3 | -171.7 | 0 | 105.4 | A225 K229 | A225-K227 PolarHBondContact O-N 3.14Å; K227-K229 PolarHBondContact O-N 3.22Å | ||
| 228 | G | 49.9 | Very low | 75.3 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 57% | 0.567 | 38% | 0.38 | S | S | * | . | trans | -82.6 | 72.3 | -147.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | L226 E230 | L226-G228 VanDerWaalsContact C-N 3.3Å; L226-G228 WeakPolarHBondContact O-CA 3.5Å; L226-G228 PolarHBondContact O-N 3.27Å; G228-E230 PolarHBondContact O-N 3.33Å | ||
| 229 | K | 54 | Low | 74.9 | Confident | 205 Ų | 205 | 77.4 Ų | 77.4 | 89% | 0.891 | 40% | 0.4 | S | S | * | . | trans | 37.1 | 45.3 | -169.2 | -66.6 | -177.2 | 177.9 | -176.4 | 0 | 110.3 | K227 P231 | K227-K229 PolarHBondContact O-N 3.22Å; K229-P231 VanDerWaalsContact O-N 3.1Å | ||
| 230 | E | 51.8 | Low | 74.7 | Confident | 91 Ų | 91 | 73.4 Ų | 73.4 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | trans | -52.6 | 127 | 165.1 | -76.2 | 172.5 | -159.2 | 0 | 0 | 104.2 | G228 P232 | G228-E230 PolarHBondContact O-N 3.33Å; E230-P232 VanDerWaalsContact O-CD 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.37Å | ||
| 231 | P | 55 | Low | 74.3 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | trans | -51.7 | 115.6 | 174.3 | 23.7 | -31.3 | 0 | 0 | 0 | 104.3 | K229 K233 E284 V287 | K229-P231 VanDerWaalsContact O-N 3.1Å; P231-K233 PolarHBondContact O-N 3.1Å; P231-E284 HydrophobicContact CG-CB 4.09Å; P231-E284 WeakPolarHBondContact CG-OE2 3.24Å; P231-V287 HydrophobicContact CB-CG1 4.36Å | ||
| 232 | P | 63.5 | Low | 73.7 | Confident | 35 Ų | 35 | 72 Ų | 72 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | trans | -58.6 | 123.6 | -174.1 | 22.9 | -31 | 0 | 0 | 0 | 104.9 | E230 K234 V307 | E230-P232 VanDerWaalsContact O-CD 3.24Å; E230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-K234 HydrophobicContact CB-CB 4.46Å; P232-K234 WeakPolarHBondContact CB-O 3.3Å; P232-K234 WeakPolarHBondContact CG-O 3.22Å; P232-K234 CarbonylContact O-C 3.58Å; P232-K234 PolarHBondContact O-N 3.28Å; P232-K234 VanDerWaalsContact O-O 3.06Å; P232-V307 VanDerWaalsContact CD-CG1 3.49Å; P232-V307 HydrophobicContact CG-CB 4.24Å; P232-V307 HydrophobicContact CG-CG1 3.34Å | ||
| 233 | K | 77.2 | Confident | 73.3 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 47% | 0.47 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -49.6 | -21.4 | 167.8 | -62.8 | -170 | 177.9 | -156.8 | 0 | 111.2 | P231 T280 Y281 T282 | P231-K233 PolarHBondContact O-N 3.1Å; K233-T280 HydrophobicContact CB-CG2 4.46Å; K233-T280 WeakPolarHBondContact O-CA 3.24Å; K233-Y281 WeakPolarHBondContact CB-O 3.35Å; K233-Y281 PolarHBondContact O-N 3.38Å; K233-T282 PolarHBondContact NZ-O 3.36Å |
| 234 | K | 85.4 | Confident | 73.2 | Confident | 67 Ų | 67 | 71.5 Ų | 71.5 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.2 | 168.5 | -161.9 | 169.6 | -173.6 | 165.3 | 0 | 112.7 | P232 E263 F278 I279 A308 | P232-K234 HydrophobicContact CB-CB 4.46Å; P232-K234 WeakPolarHBondContact CB-O 3.3Å; P232-K234 WeakPolarHBondContact CG-O 3.22Å; P232-K234 CarbonylContact O-C 3.58Å; P232-K234 PolarHBondContact O-N 3.28Å; P232-K234 VanDerWaalsContact O-O 3.06Å; K234-E263 IonicContact NZ-OE2 3.6Å; K234-E263 PolarHBondContact NZ-OE2 2.91Å; K234-F278 HydrophobicContact CD-CB 4.32Å; K234-F278 HydrophobicContact CD-CD1 4.41Å; K234-F278 VanDerWaalsContact CE-CG 3.48Å; K234-F278 HydrophobicContact CG-CB 4.18Å; K234-F278 HydrophobicContact CG-CD1 4.37Å; K234-I279 CarbonylContact C-O 3.59Å; K234-I279 VanDerWaalsContact CA-O 3.28Å; K234-I279 WeakPolarHBondContact CA-O 3.36Å; K234-A308 HydrophobicContact CB-CB 3.9Å; K234-A308 HydrophobicContact CD-CB 4.27Å; K234-A308 HydrophobicContact CG-CB 3.69Å; K234-A308 WeakPolarHBondContact O-CB 3.43Å; K234-A308 PolarHBondContact O-N 2.74Å |
| 235 | V | 87.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.5 | 175.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | V237 F278 I279 Y281 V287 I305 | V235-V237 HydrophobicContact CG1-CG2 4.23Å; V235-F278 CarbonylContact O-C 3.54Å; V235-F278 VanDerWaalsContact O-CA 3.25Å; V235-F278 WeakPolarHBondContact O-CA 3.47Å; V235-I279 PolarHBondContact N-O 3.29Å; V235-I279 PolarHBondContact O-N 3.49Å; V235-Y281 HydrophobicContact CB-CE2 4.45Å; V235-Y281 HydrophobicContact CG2-CD2 4.03Å; V235-Y281 HydrophobicContact CG2-CE2 3.88Å; V235-V287 HydrophobicContact CG2-CB 4.01Å; V235-V287 HydrophobicContact CG2-CG1 3.76Å; V235-V287 HydrophobicContact CG2-CG2 3.54Å; V235-I305 HydrophobicContact CG1-CG2 3.25Å |
| 236 | F | 88.3 | Confident | 74.5 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 22% | 0.215 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.8 | 167.8 | 171.3 | -90.9 | 0 | 0 | 0 | 108.9 | F276 F278 I305 K306 A308 | F236-F276 HydrophobicContact CD2-CD2 4.4Å; F236-F276 HydrophobicContact CE2-CB 3.62Å; F236-F276 HydrophobicContact CE2-CD1 4.43Å; F236-F276 AromaticContact CE2-CD2 3.73Å; F236-F276 HydrophobicContact CE2-CD2 3.73Å; F236-F276 AromaticContact CE2-CG 3.69Å; F236-F276 HydrophobicContact CE2-CG 3.69Å; F236-F276 HydrophobicContact CZ-CB 3.72Å; F236-F276 HydrophobicContact CZ-CG 4.13Å; F236-F278 HydrophobicContact CB-CD1 4.15Å; F236-F278 HydrophobicContact CB-CE1 4.04Å; F236-F278 HydrophobicContact CD2-CD1 4.13Å; F236-F278 AromaticContact CD2-CE1 3.55Å; F236-F278 HydrophobicContact CD2-CE1 3.55Å; F236-F278 AromaticContact CD2-CZ 3.79Å; F236-F278 HydrophobicContact CD2-CZ 3.79Å; F236-F278 HydrophobicContact CE2-CZ 4.36Å; F236-F278 HydrophobicContact CG-CE1 4.29Å; F236-I305 WeakPolarHBondContact O-CA 3.49Å; F236-K306 HydrophobicContact CB-CB 4.39Å; F236-K306 HydrophobicContact CD1-CB 4.02Å; F236-K306 HydrophobicContact CD1-CD 4.41Å; F236-K306 PolarHBondContact N-O 2.79Å; F236-K306 PolarHBondContact O-N 2.95Å; F236-A308 HydrophobicContact CB-CB 4.33Å |
| 237 | V | 88.4 | Confident | 75.7 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 107.4 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | V235 L240 F253 F276 C277 I279 C303 E304 I305 | V235-V237 HydrophobicContact CG1-CG2 4.23Å; V237-L240 HydrophobicContact CB-CD1 4.39Å; V237-L240 HydrophobicContact CG1-CD1 3.98Å; V237-L240 HydrophobicContact CG1-CD2 4.09Å; V237-L240 HydrophobicContact CG1-CG 4Å; V237-F253 HydrophobicContact CB-CZ 4.32Å; V237-F253 HydrophobicContact CG1-CE2 3.99Å; V237-F253 HydrophobicContact CG1-CZ 3.69Å; V237-F253 HydrophobicContact CG2-CE1 4.19Å; V237-F253 HydrophobicContact CG2-CE2 4.07Å; V237-F253 HydrophobicContact CG2-CZ 3.65Å; V237-F276 CarbonylContact O-C 3.45Å; V237-F276 WeakPolarHBondContact O-CA 3.47Å; V237-F276 VanDerWaalsContact O-CB 3.3Å; V237-F276 WeakPolarHBondContact O-CB 3.44Å; V237-C277 PolarHBondContact N-O 2.79Å; V237-C277 PolarHBondContact O-N 3.23Å; V237-I279 HydrophobicContact CG2-CD1 3.91Å; V237-I279 HydrophobicContact CG2-CG1 4.31Å; V237-C303 HydrophobicContact CG1-CB 3.71Å; V237-E304 CarbonylContact C-O 3.5Å; V237-E304 WeakPolarHBondContact CA-O 3.32Å; V237-I305 HydrophobicContact CG2-CG1 4.48Å |
| 238 | G | 88.1 | Confident | 77.2 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 164.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G275 C303 E304 | G238-G275 CarbonylContact C-O 3.53Å; G238-C303 CarbonylContact O-C 3.4Å; G238-C303 WeakPolarHBondContact O-CA 3.18Å; G238-C303 WeakPolarHBondContact O-CB 3.13Å; G238-E304 PolarHBondContact N-O 3.5Å; G238-E304 PolarHBondContact O-N 3.49Å |
| 239 | G | 85.1 | Confident | 79 | Confident | 46 Ų | 46 | 60 Ų | 60 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | trans | 77.9 | 18.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G275 K302 | G239-G275 PolarHBondContact N-O 2.87Å; G239-K302 CarbonylContact O-C 3.53Å | ||
| 240 | L | 85.2 | Confident | 80.6 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | trans | -71.2 | 136.5 | 171.7 | -67.7 | 167.9 | 0 | 0 | 0 | 109.5 | V237 T244 I249 G275 C277 I298 C303 | V237-L240 HydrophobicContact CB-CD1 4.39Å; V237-L240 HydrophobicContact CG1-CD1 3.98Å; V237-L240 HydrophobicContact CG1-CD2 4.09Å; V237-L240 HydrophobicContact CG1-CG 4Å; L240-T244 HydrophobicContact CD2-CG2 4.47Å; L240-I249 HydrophobicContact CD1-CD1 3.73Å; L240-I249 HydrophobicContact CD1-CG1 4.37Å; L240-I249 HydrophobicContact CD2-CD1 4.47Å; L240-I249 HydrophobicContact CD2-CG1 4.37Å; L240-G275 PolarHBondContact N-O 3.4Å; L240-G275 WeakPolarHBondContact O-CA 3.36Å; L240-C277 HydrophobicContact CD1-CB 3.86Å; L240-C277 WeakPolarHBondContact CD1-SG 3.25Å; L240-I298 HydrophobicContact CD2-CB 4.5Å; L240-I298 HydrophobicContact CD2-CD1 4.25Å; L240-C303 HydrophobicContact CD2-CB 3.85Å; L240-C303 HydrophobicContact CG-CB 4.29Å | ||
| 241 | S | 81.2 | Confident | 82.4 | Confident | 24 Ų | 24 | 59.2 Ų | 59.2 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | trans | -65.4 | 141.6 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | D243 T244 | S241-D243 PolarHBondContact O-N 3.42Å; S241-D243 VanDerWaalsContact O-N 3.1Å; S241-T244 WeakPolarHBondContact CB-OG1 3.5Å; S241-T244 PolarHBondContact N-OG1 3.09Å; S241-T244 VanDerWaalsContact O-CB 3.27Å; S241-T244 WeakPolarHBondContact O-CB 3.44Å; S241-T244 PolarHBondContact O-N 2.95Å; S241-T244 PolarHBondContact O-OG1 3.25Å | ||
| 242 | P | 78.2 | Confident | 84 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.1 | 174.8 | 25.7 | -36 | 0 | 0 | 0 | 113 | T244 R273 | P242-T244 VanDerWaalsContact C-N 3.3Å; P242-T244 PolarHBondContact O-N 2.75Å; P242-R273 HydrophobicContact CB-CB 4.41Å; P242-R273 VanDerWaalsContact O-CD 3.32Å; P242-R273 WeakPolarHBondContact O-CD 3.43Å; P242-R273 PolarHBondContact O-NH1 3.5Å |
| 243 | D | 79.7 | Confident | 85.1 | Confident | 128 Ų | 128 | 59.1 Ų | 59.1 | 68% | 0.684 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.5 | 176.5 | -54 | -40.4 | 0 | 0 | 0 | 113 | S241 S245 | S241-D243 PolarHBondContact O-N 3.42Å; S241-D243 VanDerWaalsContact O-N 3.1Å; D243-S245 PolarHBondContact O-N 3.12Å |
| 244 | T | 80.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | trans | -69.4 | 115.9 | -176 | -39.4 | 0 | 0 | 0 | 0 | 110.5 | L240 S241 P242 Q248 I249 R273 I298 | L240-T244 HydrophobicContact CD2-CG2 4.47Å; S241-T244 WeakPolarHBondContact CB-OG1 3.5Å; S241-T244 PolarHBondContact N-OG1 3.09Å; S241-T244 VanDerWaalsContact O-CB 3.27Å; S241-T244 WeakPolarHBondContact O-CB 3.44Å; S241-T244 PolarHBondContact O-N 2.95Å; S241-T244 PolarHBondContact O-OG1 3.25Å; P242-T244 VanDerWaalsContact C-N 3.3Å; P242-T244 PolarHBondContact O-N 2.75Å; T244-Q248 HydrophobicContact CG2-CB 4.22Å; T244-I249 HydrophobicContact CG2-CD1 4.28Å; T244-I249 HydrophobicContact CG2-CG1 3.92Å; T244-R273 PolarHBondContact O-NH1 3.32Å; T244-I298 HydrophobicContact CG2-CG2 3.78Å | ||
| 245 | S | 83.7 | Confident | 85.6 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | trans | -75.4 | 157.7 | 177.6 | 65.4 | 0 | 0 | 0 | 0 | 112 | D243 E247 Q248 I249 | D243-S245 PolarHBondContact O-N 3.12Å; S245-E247 PolarHBondContact O-N 3.42Å; S245-Q248 PolarHBondContact O-N 3.35Å; S245-Q248 WeakPolarHBondContact OG-CG 3.21Å; S245-Q248 PolarHBondContact OG-N 3.48Å; S245-I249 WeakPolarHBondContact O-CG1 3.26Å; S245-I249 PolarHBondContact O-N 3.37Å | ||
| 246 | E | 85.4 | Confident | 85.4 | Confident | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.3 | -34.5 | 172.4 | -178.5 | 179.7 | 164.9 | 0 | 0 | 111.8 | Q248 I249 K250 I262 L264 | E246-Q248 PolarHBondContact O-N 2.98Å; E246-I249 WeakPolarHBondContact O-CB 3.3Å; E246-I249 PolarHBondContact O-N 2.96Å; E246-K250 WeakPolarHBondContact O-CB 3.18Å; E246-K250 PolarHBondContact O-N 3.47Å; E246-I262 HydrophobicContact CG-CB 4.49Å; E246-I262 HydrophobicContact CG-CD1 4.24Å; E246-I262 HydrophobicContact CG-CG2 4.38Å; E246-L264 HydrophobicContact CB-CD1 4.11Å; E246-L264 HydrophobicContact CB-CD2 4.48Å; E246-L264 HydrophobicContact CG-CD1 3.86Å |
| 247 | E | 87.2 | Confident | 85.3 | Confident | 152 Ų | 152 | 58.1 Ų | 58.1 | 71% | 0.71 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 178 | -63.2 | 168.7 | -179.8 | 0 | 0 | 111.8 | S245 I249 K250 E251 | S245-E247 PolarHBondContact O-N 3.42Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 3.33Å; E247-K250 PolarHBondContact O-N 3.45Å; E247-E251 WeakPolarHBondContact O-CB 3.41Å; E247-E251 PolarHBondContact O-N 3.33Å |
| 248 | Q | 86.4 | Confident | 85.3 | Confident | 86 Ų | 86 | 64.8 Ų | 64.8 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 177.3 | -71 | 174.6 | -10.8 | 0 | 0 | 112 | T244 S245 E246 Y252 I298 | T244-Q248 HydrophobicContact CG2-CB 4.22Å; S245-Q248 PolarHBondContact O-N 3.35Å; S245-Q248 WeakPolarHBondContact OG-CG 3.21Å; S245-Q248 PolarHBondContact OG-N 3.48Å; E246-Q248 PolarHBondContact O-N 2.98Å; Q248-Y252 WeakPolarHBondContact O-CB 3.21Å; Q248-Y252 PolarHBondContact O-N 2.78Å; Q248-I298 HydrophobicContact CB-CG2 4.5Å |
| 249 | I | 86.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 175.6 | -66 | 165.2 | 0 | 0 | 0 | 108.6 | L240 T244 S245 E246 E247 E251 Y252 F253 I262 L264 I279 | L240-I249 HydrophobicContact CD1-CD1 3.73Å; L240-I249 HydrophobicContact CD1-CG1 4.37Å; L240-I249 HydrophobicContact CD2-CD1 4.47Å; L240-I249 HydrophobicContact CD2-CG1 4.37Å; T244-I249 HydrophobicContact CG2-CD1 4.28Å; T244-I249 HydrophobicContact CG2-CG1 3.92Å; S245-I249 WeakPolarHBondContact O-CG1 3.26Å; S245-I249 PolarHBondContact O-N 3.37Å; E246-I249 WeakPolarHBondContact O-CB 3.3Å; E246-I249 PolarHBondContact O-N 2.96Å; E247-I249 VanDerWaalsContact C-N 3.31Å; E247-I249 PolarHBondContact O-N 3.33Å; I249-E251 PolarHBondContact O-N 3.07Å; I249-Y252 PolarHBondContact O-N 3.43Å; I249-F253 HydrophobicContact CB-CD2 4.34Å; I249-F253 HydrophobicContact CG2-CD2 3.52Å; I249-F253 HydrophobicContact CG2-CE2 3.94Å; I249-F253 WeakPolarHBondContact O-CB 3.43Å; I249-F253 WeakPolarHBondContact O-CD2 3.2Å; I249-F253 PolarHBondContact O-N 2.76Å; I249-I262 HydrophobicContact CG2-CG2 4.37Å; I249-L264 HydrophobicContact CD1-CD2 3.91Å; I249-I279 HydrophobicContact CG2-CD1 3.79Å; I249-I279 HydrophobicContact CG2-CG1 4.47Å |
| 250 | K | 88.4 | Confident | 85.5 | Confident | 123 Ų | 123 | 70 Ų | 70 | 54% | 0.535 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | -179.7 | -170.9 | 175.5 | -179.1 | 178 | 0 | 112.5 | E246 E247 G254 I259 I262 | E246-K250 WeakPolarHBondContact O-CB 3.18Å; E246-K250 PolarHBondContact O-N 3.47Å; E247-K250 PolarHBondContact O-N 3.45Å; K250-G254 WeakPolarHBondContact O-CA 3.37Å; K250-G254 PolarHBondContact O-N 3.25Å; K250-I259 HydrophobicContact CG-CD1 4.3Å; K250-I262 HydrophobicContact CB-CD1 3.69Å; K250-I262 HydrophobicContact CD-CD1 4.43Å; K250-I262 HydrophobicContact CG-CD1 4Å |
| 251 | E | 88.8 | Confident | 85.5 | Confident | 157 Ų | 157 | 73.8 Ų | 73.8 | 73% | 0.734 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -66.9 | -47.7 | 177.9 | -174 | 171.4 | -156.6 | 0 | 0 | 111.4 | E247 I249 A255 | E247-E251 WeakPolarHBondContact O-CB 3.41Å; E247-E251 PolarHBondContact O-N 3.33Å; I249-E251 PolarHBondContact O-N 3.07Å; E251-A255 PolarHBondContact O-N 2.9Å |
| 252 | Y | 88.3 | Confident | 85.8 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 179.1 | -174.2 | -95.5 | 0 | 0 | 0 | 112.3 | Q248 I249 A255 F256 H296 I298 | Q248-Y252 WeakPolarHBondContact O-CB 3.21Å; Q248-Y252 PolarHBondContact O-N 2.78Å; I249-Y252 PolarHBondContact O-N 3.43Å; Y252-A255 WeakPolarHBondContact O-CB 3.31Å; Y252-A255 PolarHBondContact O-N 2.87Å; Y252-F256 AromaticContact CD1-CE2 3.93Å; Y252-F256 HydrophobicContact CD1-CE2 3.93Å; Y252-F256 AromaticContact CE1-CE2 3.57Å; Y252-F256 HydrophobicContact CE1-CE2 3.57Å; Y252-F256 HydrophobicContact CE1-CZ 4.08Å; Y252-F256 AromaticContact CZ-CE2 3.96Å; Y252-F256 WeakPolarHBondContact O-CD2 3.39Å; Y252-F256 VanDerWaalsContact O-CE2 3.3Å; Y252-F256 WeakPolarHBondContact O-CE2 3.28Å; Y252-H296 HydrophobicContact CE1-CB 3.94Å; Y252-H296 AromaticContact CE1-ND1 3.55Å; Y252-H296 AromaticContact CZ-ND1 3.66Å; Y252-H296 PolarHBondContact OH-ND1 2.94Å; Y252-I298 HydrophobicContact CD1-CD1 3.51Å; Y252-I298 HydrophobicContact CD1-CG1 3.71Å; Y252-I298 HydrophobicContact CD2-CG1 4.41Å; Y252-I298 HydrophobicContact CE1-CD1 4.07Å; Y252-I298 HydrophobicContact CE1-CG1 4.03Å; Y252-I298 HydrophobicContact CG-CD1 4.02Å; Y252-I298 HydrophobicContact CG-CG1 3.91Å |
| 253 | F | 86.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.6 | -28.1 | -176.9 | -76.4 | -66.9 | 0 | 0 | 0 | 113.1 | V237 I249 A255 F256 I259 I279 Y281 L290 I298 I305 | V237-F253 HydrophobicContact CB-CZ 4.32Å; V237-F253 HydrophobicContact CG1-CE2 3.99Å; V237-F253 HydrophobicContact CG1-CZ 3.69Å; V237-F253 HydrophobicContact CG2-CE1 4.19Å; V237-F253 HydrophobicContact CG2-CE2 4.07Å; V237-F253 HydrophobicContact CG2-CZ 3.65Å; I249-F253 HydrophobicContact CB-CD2 4.34Å; I249-F253 HydrophobicContact CG2-CD2 3.52Å; I249-F253 HydrophobicContact CG2-CE2 3.94Å; I249-F253 WeakPolarHBondContact O-CB 3.43Å; I249-F253 WeakPolarHBondContact O-CD2 3.2Å; I249-F253 PolarHBondContact O-N 2.76Å; F253-A255 PolarHBondContact O-N 2.8Å; F253-F256 PolarHBondContact O-N 3.17Å; F253-F256 VanDerWaalsContact O-N 3.07Å; F253-I259 HydrophobicContact CB-CD1 3.8Å; F253-I279 HydrophobicContact CB-CD1 3.76Å; F253-I279 HydrophobicContact CD1-CD1 3.92Å; F253-I279 HydrophobicContact CD2-CD1 3.22Å; F253-I279 HydrophobicContact CE1-CD1 4.32Å; F253-I279 HydrophobicContact CE2-CD1 3.67Å; F253-I279 HydrophobicContact CG-CD1 3.34Å; F253-I279 HydrophobicContact CZ-CD1 4.21Å; F253-Y281 VanDerWaalsContact CB-OH 3.31Å; F253-Y281 WeakPolarHBondContact CB-OH 3Å; F253-Y281 WeakPolarHBondContact CD1-OH 3.32Å; F253-Y281 PolarHBondContact O-OH 2.89Å; F253-L290 HydrophobicContact CD1-CD1 3.92Å; F253-L290 HydrophobicContact CD1-CD2 4.04Å; F253-L290 HydrophobicContact CE1-CD1 4.14Å; F253-L290 HydrophobicContact CE1-CD2 3.92Å; F253-I298 HydrophobicContact CD2-CD1 3.9Å; F253-I298 HydrophobicContact CE2-CD1 3.13Å; F253-I298 HydrophobicContact CZ-CD1 3.53Å; F253-I305 HydrophobicContact CE1-CD1 3.65Å; F253-I305 HydrophobicContact CZ-CD1 4.14Å |
| 254 | G | 85.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -25.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K250 F256 G257 | K250-G254 WeakPolarHBondContact O-CA 3.37Å; K250-G254 PolarHBondContact O-N 3.25Å; G254-F256 PolarHBondContact O-N 2.8Å; G254-G257 WeakPolarHBondContact CA-O 3.02Å; G254-G257 PolarHBondContact O-N 2.88Å |
| 255 | A | 87.4 | Confident | 86.3 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 72% | 0.719 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E251 Y252 F253 | E251-A255 PolarHBondContact O-N 2.9Å; Y252-A255 WeakPolarHBondContact O-CB 3.31Å; Y252-A255 PolarHBondContact O-N 2.87Å; F253-A255 PolarHBondContact O-N 2.8Å |
| 256 | F | 84.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 75.1 Ų | 75.1 | 27% | 0.268 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -26.8 | 179 | -64.7 | -90.3 | 0 | 0 | 0 | 112.8 | Y252 F253 G254 P286 L290 H296 | Y252-F256 AromaticContact CD1-CE2 3.93Å; Y252-F256 HydrophobicContact CD1-CE2 3.93Å; Y252-F256 AromaticContact CE1-CE2 3.57Å; Y252-F256 HydrophobicContact CE1-CE2 3.57Å; Y252-F256 HydrophobicContact CE1-CZ 4.08Å; Y252-F256 AromaticContact CZ-CE2 3.96Å; Y252-F256 WeakPolarHBondContact O-CD2 3.39Å; Y252-F256 VanDerWaalsContact O-CE2 3.3Å; Y252-F256 WeakPolarHBondContact O-CE2 3.28Å; F253-F256 PolarHBondContact O-N 3.17Å; F253-F256 VanDerWaalsContact O-N 3.07Å; G254-F256 PolarHBondContact O-N 2.8Å; F256-P286 HydrophobicContact CB-CB 4.21Å; F256-L290 HydrophobicContact CB-CD2 4.49Å; F256-L290 HydrophobicContact CD1-CD2 3.88Å; F256-L290 HydrophobicContact CD1-CG 4.48Å; F256-L290 HydrophobicContact CD2-CD2 3.96Å; F256-L290 HydrophobicContact CE1-CD2 4.05Å; F256-L290 HydrophobicContact CE2-CD2 4.12Å; F256-L290 HydrophobicContact CG-CD2 3.84Å; F256-L290 HydrophobicContact CG-CG 4.4Å; F256-L290 HydrophobicContact CZ-CD2 4.16Å; F256-H296 AromaticContact CZ-CE1 3.78Å |
| 257 | G | 86.3 | Confident | 85.8 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 173.3 | 172.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G254 I259 | G254-G257 WeakPolarHBondContact CA-O 3.02Å; G254-G257 PolarHBondContact O-N 2.88Å; G257-I259 PolarHBondContact O-N 2.9Å |
| 258 | E | 88.6 | Confident | 85.2 | Confident | 139 Ų | 139 | 72.2 Ų | 72.2 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | trans | -72.7 | 122.4 | -178.8 | -175.1 | 177.3 | -176.2 | 0 | 0 | 111.5 | Y281 T282 | E258-Y281 WeakPolarHBondContact O-CA 3.34Å; E258-Y281 WeakPolarHBondContact O-CD1 3.5Å; E258-T282 HydrophobicContact CG-CG2 4.16Å; E258-T282 PolarHBondContact O-N 3Å; E258-T282 VanDerWaalsContact O-N 3.12Å; E258-T282 PolarHBondContact O-OG1 2.99Å | ||
| 259 | I | 89.4 | Confident | 84.6 | Confident | 28 Ų | 28 | 77.1 Ų | 77.1 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.3 | -178.9 | -59.9 | 169.4 | 0 | 0 | 0 | 109.2 | K250 F253 G257 I262 I279 Y281 | K250-I259 HydrophobicContact CG-CD1 4.3Å; F253-I259 HydrophobicContact CB-CD1 3.8Å; G257-I259 PolarHBondContact O-N 2.9Å; I259-I262 HydrophobicContact CD1-CD1 4.17Å; I259-I262 HydrophobicContact CG2-CD1 4.09Å; I259-I262 HydrophobicContact CG2-CG1 3.52Å; I259-I279 HydrophobicContact CB-CG2 4.39Å; I259-I279 HydrophobicContact CD1-CG2 4.12Å; I259-I279 HydrophobicContact CG1-CG2 3.9Å; I259-I279 HydrophobicContact CG2-CG2 3.68Å; I259-Y281 HydrophobicContact CG1-CD1 4.03Å; I259-Y281 HydrophobicContact CG1-CE1 3.62Å |
| 260 | E | 87.2 | Confident | 83.9 | Confident | 134 Ų | 134 | 80.6 Ų | 80.6 | 63% | 0.626 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -43.6 | 174.5 | -171.4 | -175.8 | 177.2 | 0 | 0 | 111.3 | T280 T282 | E260-T280 HydrophobicContact CB-CG2 4.42Å; E260-T280 WeakPolarHBondContact CB-O 3.43Å; E260-T280 PolarHBondContact N-O 2.92Å; E260-T282 HydrophobicContact CB-CG2 4.16Å |
| 261 | N | 85.3 | Confident | 83 | Confident | 94 Ų | 94 | 81 Ų | 81 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 144.3 | -176.9 | -167.3 | 9 | 0 | 0 | 0 | 112.5 | T280 | N261-T280 PolarHBondContact N-O 2.71Å; N261-T280 VanDerWaalsContact N-O 3.17Å; N261-T280 PolarHBondContact O-N 2.81Å |
| 262 | I | 86.3 | Confident | 82.2 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 9% | 0.087 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.2 | 174.2 | -49.9 | 177.9 | 0 | 0 | 0 | 108.7 | E246 I249 K250 I259 L264 F278 I279 | E246-I262 HydrophobicContact CG-CB 4.49Å; E246-I262 HydrophobicContact CG-CD1 4.24Å; E246-I262 HydrophobicContact CG-CG2 4.38Å; I249-I262 HydrophobicContact CG2-CG2 4.37Å; K250-I262 HydrophobicContact CB-CD1 3.69Å; K250-I262 HydrophobicContact CD-CD1 4.43Å; K250-I262 HydrophobicContact CG-CD1 4Å; I259-I262 HydrophobicContact CD1-CD1 4.17Å; I259-I262 HydrophobicContact CG2-CD1 4.09Å; I259-I262 HydrophobicContact CG2-CG1 3.52Å; I262-L264 HydrophobicContact CB-CD1 4.31Å; I262-L264 HydrophobicContact CG2-CD1 3.45Å; I262-L264 VanDerWaalsContact CG2-CD1 3.45Å; I262-L264 HydrophobicContact CG2-CG 4.43Å; I262-F278 CarbonylContact C-O 3.32Å; I262-F278 WeakPolarHBondContact CA-O 3.38Å; I262-I279 HydrophobicContact CG2-CG1 4.31Å |
| 263 | E | 85.1 | Confident | 81.4 | Confident | 91 Ų | 91 | 80 Ų | 80 | 43% | 0.425 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116 | -179.7 | -143.7 | 178.9 | -161.3 | 0 | 0 | 108.7 | K234 P265 C277 F278 | K234-E263 IonicContact NZ-OE2 3.6Å; K234-E263 PolarHBondContact NZ-OE2 2.91Å; E263-P265 VanDerWaalsContact O-CD 3.3Å; E263-P265 WeakPolarHBondContact O-CD 3.35Å; E263-C277 CarbonylContact O-C 3.53Å; E263-C277 VanDerWaalsContact O-CA 3.32Å; E263-C277 WeakPolarHBondContact O-CA 3.21Å; E263-F278 HydrophobicContact CB-CB 4.12Å; E263-F278 PolarHBondContact N-O 2.68Å; E263-F278 PolarHBondContact O-N 2.78Å |
| 264 | L | 85.4 | Confident | 80.7 | Confident | 38 Ų | 38 | 86.3 Ų | 86.3 | 20% | 0.199 | 45% | 0.45 | C | S | . | . | trans | -113.9 | 89.1 | 176.5 | -67.5 | 91 | 0 | 0 | 0 | 110.4 | E246 I249 I262 M266 C277 | E246-L264 HydrophobicContact CB-CD1 4.11Å; E246-L264 HydrophobicContact CB-CD2 4.48Å; E246-L264 HydrophobicContact CG-CD1 3.86Å; I249-L264 HydrophobicContact CD1-CD2 3.91Å; I262-L264 HydrophobicContact CB-CD1 4.31Å; I262-L264 HydrophobicContact CG2-CD1 3.45Å; I262-L264 VanDerWaalsContact CG2-CD1 3.45Å; I262-L264 HydrophobicContact CG2-CG 4.43Å; L264-M266 PolarHBondContact O-N 2.89Å; L264-M266 VanDerWaalsContact O-N 3.13Å; L264-C277 HydrophobicContact CD2-CB 4.46Å; L264-C277 HydrophobicContact CG-CB 3.84Å | ||
| 265 | P | 80.4 | Confident | 80.4 | Confident | 39 Ų | 39 | 85.4 Ų | 85.4 | 25% | 0.253 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 116 | 176.5 | -26.2 | 38.7 | 0 | 0 | 0 | 111.7 | E263 R274 F276 F278 | E263-P265 VanDerWaalsContact O-CD 3.3Å; E263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-R274 WeakPolarHBondContact O-CB 3.41Å; P265-R274 WeakPolarHBondContact O-CG 3.47Å; P265-R274 PolarHBondContact O-N 2.81Å; P265-F276 HydrophobicContact CB-CE2 4.01Å; P265-F276 HydrophobicContact CB-CZ 4.22Å; P265-F276 HydrophobicContact CG-CE2 3.78Å; P265-F276 HydrophobicContact CG-CZ 4.46Å; P265-F278 HydrophobicContact CG-CD2 4.31Å; P265-F278 HydrophobicContact CG-CE2 4.27Å |
| 266 | M | 80.8 | Confident | 80.4 | Confident | 98 Ų | 98 | 83 Ų | 83 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 149.3 | 170.1 | -59 | -179.6 | -173.6 | 0 | 0 | 109.9 | L264 T268 | L264-M266 PolarHBondContact O-N 2.89Å; L264-M266 VanDerWaalsContact O-N 3.13Å; M266-T268 PolarHBondContact O-N 2.84Å |
| 267 | D | 77.1 | Confident | 80.5 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 122 | 171.7 | -162.7 | -30 | 0 | 0 | 0 | 108.7 | K269 N271 E272 R274 | D267-K269 PolarHBondContact O-N 3.25Å; D267-K269 PolarHBondContact OD1-N 3.23Å; D267-K269 VanDerWaalsContact OD1-N 3.09Å; D267-N271 VanDerWaalsContact O-CA 3.26Å; D267-N271 WeakPolarHBondContact O-CA 3.49Å; D267-N271 PolarHBondContact O-N 2.86Å; D267-E272 PolarHBondContact N-O 3.43Å; D267-R274 HydrophobicContact CB-CG 3.94Å |
| 268 | T | 73.6 | Confident | 80.7 | Confident | 131 Ų | 131 | 81 Ų | 81 | 80% | 0.804 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -12.2 | -177.5 | 55.8 | 0 | 0 | 0 | 0 | 113 | M266 | M266-T268 PolarHBondContact O-N 2.84Š|
| 269 | K | 73.9 | Confident | 80.7 | Confident | 189 Ų | 189 | 74.4 Ų | 74.4 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -39.5 | -178.4 | -63.4 | -177.2 | -179.8 | -177.2 | 0 | 113.6 | D267 | D267-K269 PolarHBondContact O-N 3.25Å; D267-K269 PolarHBondContact OD1-N 3.23Å; D267-K269 VanDerWaalsContact OD1-N 3.09Å |
| 270 | T | 73 | Confident | 80.6 | Confident | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -6.9 | -177.4 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | E272 | T270-E272 WeakPolarHBondContact CB-OE2 3.33Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 WeakPolarHBondContact OG1-CB 3.13Å; T270-E272 PolarHBondContact OG1-N 3.41Å; T270-E272 PolarHBondContact OG1-OE2 2.95Å |
| 271 | N | 69.4 | Low | 80.7 | Confident | 130 Ų | 130 | 68.1 Ų | 68.1 | 70% | 0.695 | 34% | 0.341 | S | S | * | . | trans | 54 | 17.3 | -168.6 | -94.7 | -53.5 | 0 | 0 | 0 | 113.4 | D267 | D267-N271 VanDerWaalsContact O-CA 3.26Å; D267-N271 WeakPolarHBondContact O-CA 3.49Å; D267-N271 PolarHBondContact O-N 2.86Å | ||
| 272 | E | 71.8 | Confident | 80.7 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 58% | 0.584 | 33% | 0.328 | S | S | * | . | trans | -87.7 | 146 | 176.3 | -65.4 | 171.8 | 143.1 | 0 | 0 | 109.6 | D267 T270 R274 | D267-E272 PolarHBondContact N-O 3.43Å; T270-E272 WeakPolarHBondContact CB-OE2 3.33Å; T270-E272 PolarHBondContact O-N 3.04Å; T270-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 WeakPolarHBondContact OG1-CB 3.13Å; T270-E272 PolarHBondContact OG1-N 3.41Å; T270-E272 PolarHBondContact OG1-OE2 2.95Å; E272-R274 PolarHBondContact O-N 3.04Å | ||
| 273 | R | 72.1 | Confident | 80.6 | Confident | 90 Ų | 90 | 69 Ų | 69 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 131.3 | 174.6 | -61.9 | -175 | -179.2 | 146.4 | -11.2 | 108.2 | P242 T244 G275 | P242-R273 HydrophobicContact CB-CB 4.41Å; P242-R273 VanDerWaalsContact O-CD 3.32Å; P242-R273 WeakPolarHBondContact O-CD 3.43Å; P242-R273 PolarHBondContact O-NH1 3.5Å; T244-R273 PolarHBondContact O-NH1 3.32Å; R273-G275 PolarHBondContact O-N 3.02Å |
| 274 | R | 71.3 | Confident | 80.5 | Confident | 133 Ų | 133 | 70 Ų | 70 | 50% | 0.502 | 35% | 0.352 | S | S | . | . | trans | -69.5 | 12.1 | -178.8 | -65.9 | 179.5 | 66.7 | -169.5 | -4.2 | 114.2 | P265 D267 E272 F276 | P265-R274 WeakPolarHBondContact O-CB 3.41Å; P265-R274 WeakPolarHBondContact O-CG 3.47Å; P265-R274 PolarHBondContact O-N 2.81Å; D267-R274 HydrophobicContact CB-CG 3.94Å; E272-R274 PolarHBondContact O-N 3.04Å; R274-F276 HydrophobicContact CB-CD1 3.69Å; R274-F276 HydrophobicContact CB-CE1 3.27Å; R274-F276 HydrophobicContact CB-CZ 3.88Å; R274-F276 HydrophobicContact CG-CE1 4.2Å; R274-F276 WeakPolarHBondContact O-CD1 3.22Å; R274-F276 PolarHBondContact O-N 2.83Å | ||
| 275 | G | 79.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 74.3 Ų | 74.3 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 64.3 | 21.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | G238 G239 L240 R273 | G238-G275 CarbonylContact C-O 3.53Å; G239-G275 PolarHBondContact N-O 2.87Å; L240-G275 PolarHBondContact N-O 3.4Å; L240-G275 WeakPolarHBondContact O-CA 3.36Å; R273-G275 PolarHBondContact O-N 3.02Å |
| 276 | F | 86.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 152.6 | 173.6 | 66.1 | -99.1 | 0 | 0 | 0 | 111.4 | F236 V237 P265 R274 F278 | F236-F276 HydrophobicContact CD2-CD2 4.4Å; F236-F276 HydrophobicContact CE2-CB 3.62Å; F236-F276 HydrophobicContact CE2-CD1 4.43Å; F236-F276 AromaticContact CE2-CD2 3.73Å; F236-F276 HydrophobicContact CE2-CD2 3.73Å; F236-F276 AromaticContact CE2-CG 3.69Å; F236-F276 HydrophobicContact CE2-CG 3.69Å; F236-F276 HydrophobicContact CZ-CB 3.72Å; F236-F276 HydrophobicContact CZ-CG 4.13Å; V237-F276 CarbonylContact O-C 3.45Å; V237-F276 WeakPolarHBondContact O-CA 3.47Å; V237-F276 VanDerWaalsContact O-CB 3.3Å; V237-F276 WeakPolarHBondContact O-CB 3.44Å; P265-F276 HydrophobicContact CB-CE2 4.01Å; P265-F276 HydrophobicContact CB-CZ 4.22Å; P265-F276 HydrophobicContact CG-CE2 3.78Å; P265-F276 HydrophobicContact CG-CZ 4.46Å; R274-F276 HydrophobicContact CB-CD1 3.69Å; R274-F276 HydrophobicContact CB-CE1 3.27Å; R274-F276 HydrophobicContact CB-CZ 3.88Å; R274-F276 HydrophobicContact CG-CE1 4.2Å; R274-F276 WeakPolarHBondContact O-CD1 3.22Å; R274-F276 PolarHBondContact O-N 2.83Å; F276-F278 HydrophobicContact CD2-CD2 4.47Å; F276-F278 AromaticContact CD2-CE2 3.97Å; F276-F278 HydrophobicContact CD2-CE2 3.97Å; F276-F278 HydrophobicContact CE2-CD2 4.47Å; F276-F278 AromaticContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CZ 4.34Å |
| 277 | C | 87.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 164.2 | 170.4 | 76.1 | 0 | 0 | 0 | 0 | 110.7 | V237 L240 E263 L264 | V237-C277 PolarHBondContact N-O 2.79Å; V237-C277 PolarHBondContact O-N 3.23Å; L240-C277 HydrophobicContact CD1-CB 3.86Å; L240-C277 WeakPolarHBondContact CD1-SG 3.25Å; E263-C277 CarbonylContact O-C 3.53Å; E263-C277 VanDerWaalsContact O-CA 3.32Å; E263-C277 WeakPolarHBondContact O-CA 3.21Å; L264-C277 HydrophobicContact CD2-CB 4.46Å; L264-C277 HydrophobicContact CG-CB 3.84Å |
| 278 | F | 89.1 | Confident | 81.1 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 17% | 0.167 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.9 | 166.9 | -61.6 | -88.1 | 0 | 0 | 0 | 109.9 | K234 V235 F236 I262 E263 P265 F276 A308 | K234-F278 HydrophobicContact CD-CB 4.32Å; K234-F278 HydrophobicContact CD-CD1 4.41Å; K234-F278 VanDerWaalsContact CE-CG 3.48Å; K234-F278 HydrophobicContact CG-CB 4.18Å; K234-F278 HydrophobicContact CG-CD1 4.37Å; V235-F278 CarbonylContact O-C 3.54Å; V235-F278 VanDerWaalsContact O-CA 3.25Å; V235-F278 WeakPolarHBondContact O-CA 3.47Å; F236-F278 HydrophobicContact CB-CD1 4.15Å; F236-F278 HydrophobicContact CB-CE1 4.04Å; F236-F278 HydrophobicContact CD2-CD1 4.13Å; F236-F278 AromaticContact CD2-CE1 3.55Å; F236-F278 HydrophobicContact CD2-CE1 3.55Å; F236-F278 AromaticContact CD2-CZ 3.79Å; F236-F278 HydrophobicContact CD2-CZ 3.79Å; F236-F278 HydrophobicContact CE2-CZ 4.36Å; F236-F278 HydrophobicContact CG-CE1 4.29Å; I262-F278 CarbonylContact C-O 3.32Å; I262-F278 WeakPolarHBondContact CA-O 3.38Å; E263-F278 HydrophobicContact CB-CB 4.12Å; E263-F278 PolarHBondContact N-O 2.68Å; E263-F278 PolarHBondContact O-N 2.78Å; P265-F278 HydrophobicContact CG-CD2 4.31Å; P265-F278 HydrophobicContact CG-CE2 4.27Å; F276-F278 HydrophobicContact CD2-CD2 4.47Å; F276-F278 AromaticContact CD2-CE2 3.97Å; F276-F278 HydrophobicContact CD2-CE2 3.97Å; F276-F278 HydrophobicContact CE2-CD2 4.47Å; F276-F278 AromaticContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CE2 3.71Å; F276-F278 HydrophobicContact CE2-CZ 4.34Å; F278-A308 HydrophobicContact CD1-CB 3.94Å; F278-A308 HydrophobicContact CE1-CB 4.16Å |
| 279 | I | 89.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.3 | 179.5 | -55.4 | 178.4 | 0 | 0 | 0 | 107.5 | K234 V235 V237 I249 F253 I259 I262 Y281 | K234-I279 CarbonylContact C-O 3.59Å; K234-I279 VanDerWaalsContact CA-O 3.28Å; K234-I279 WeakPolarHBondContact CA-O 3.36Å; V235-I279 PolarHBondContact N-O 3.29Å; V235-I279 PolarHBondContact O-N 3.49Å; V237-I279 HydrophobicContact CG2-CD1 3.91Å; V237-I279 HydrophobicContact CG2-CG1 4.31Å; I249-I279 HydrophobicContact CG2-CD1 3.79Å; I249-I279 HydrophobicContact CG2-CG1 4.47Å; F253-I279 HydrophobicContact CB-CD1 3.76Å; F253-I279 HydrophobicContact CD1-CD1 3.92Å; F253-I279 HydrophobicContact CD2-CD1 3.22Å; F253-I279 HydrophobicContact CE1-CD1 4.32Å; F253-I279 HydrophobicContact CE2-CD1 3.67Å; F253-I279 HydrophobicContact CG-CD1 3.34Å; F253-I279 HydrophobicContact CZ-CD1 4.21Å; I259-I279 HydrophobicContact CB-CG2 4.39Å; I259-I279 HydrophobicContact CD1-CG2 4.12Å; I259-I279 HydrophobicContact CG1-CG2 3.9Å; I259-I279 HydrophobicContact CG2-CG2 3.68Å; I262-I279 HydrophobicContact CG2-CG1 4.31Å; I279-Y281 HydrophobicContact CB-CE2 4.14Å; I279-Y281 HydrophobicContact CG2-CD2 4.07Å; I279-Y281 HydrophobicContact CG2-CE1 4.3Å; I279-Y281 HydrophobicContact CG2-CE2 3.57Å |
| 280 | T | 87.8 | Confident | 82.1 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121 | 172.1 | -53.2 | 0 | 0 | 0 | 0 | 108.2 | K233 E260 N261 | K233-T280 HydrophobicContact CB-CG2 4.46Å; K233-T280 WeakPolarHBondContact O-CA 3.24Å; E260-T280 HydrophobicContact CB-CG2 4.42Å; E260-T280 WeakPolarHBondContact CB-O 3.43Å; E260-T280 PolarHBondContact N-O 2.92Å; N261-T280 PolarHBondContact N-O 2.71Å; N261-T280 VanDerWaalsContact N-O 3.17Å; N261-T280 PolarHBondContact O-N 2.81Å |
| 281 | Y | 89.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 154.7 | 173.9 | -69 | -86.6 | 0 | 0 | 0 | 111.2 | K233 V235 F253 E258 I259 I279 D283 P286 V287 L290 | K233-Y281 WeakPolarHBondContact CB-O 3.35Å; K233-Y281 PolarHBondContact O-N 3.38Å; V235-Y281 HydrophobicContact CB-CE2 4.45Å; V235-Y281 HydrophobicContact CG2-CD2 4.03Å; V235-Y281 HydrophobicContact CG2-CE2 3.88Å; F253-Y281 VanDerWaalsContact CB-OH 3.31Å; F253-Y281 WeakPolarHBondContact CB-OH 3Å; F253-Y281 WeakPolarHBondContact CD1-OH 3.32Å; F253-Y281 PolarHBondContact O-OH 2.89Å; E258-Y281 WeakPolarHBondContact O-CA 3.34Å; E258-Y281 WeakPolarHBondContact O-CD1 3.5Å; I259-Y281 HydrophobicContact CG1-CD1 4.03Å; I259-Y281 HydrophobicContact CG1-CE1 3.62Å; I279-Y281 HydrophobicContact CB-CE2 4.14Å; I279-Y281 HydrophobicContact CG2-CD2 4.07Å; I279-Y281 HydrophobicContact CG2-CE1 4.3Å; I279-Y281 HydrophobicContact CG2-CE2 3.57Å; Y281-D283 VanDerWaalsContact CB-O 3.24Å; Y281-D283 WeakPolarHBondContact CB-O 3.44Å; Y281-P286 HydrophobicContact CD1-CB 3.64Å; Y281-P286 HydrophobicContact CD1-CG 3.4Å; Y281-P286 VanDerWaalsContact CD1-CG 3.4Å; Y281-P286 HydrophobicContact CD2-CB 4.34Å; Y281-P286 HydrophobicContact CD2-CG 4.2Å; Y281-P286 HydrophobicContact CE1-CB 3.68Å; Y281-P286 HydrophobicContact CE1-CG 4.01Å; Y281-P286 HydrophobicContact CE2-CB 4.38Å; Y281-P286 HydrophobicContact CG-CB 3.98Å; Y281-P286 HydrophobicContact CG-CG 3.51Å; Y281-V287 HydrophobicContact CD2-CG2 3.83Å; Y281-V287 HydrophobicContact CG-CG2 4.47Å; Y281-L290 HydrophobicContact CE2-CD1 3.83Å; Y281-L290 VanDerWaalsContact OH-CD1 3.26Å; Y281-L290 WeakPolarHBondContact OH-CD1 3.3Å |
| 282 | T | 85.8 | Confident | 83.2 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 23% | 0.227 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -65.6 | -43.7 | 168.5 | 51 | 0 | 0 | 0 | 0 | 110.7 | K233 E258 E260 | K233-T282 PolarHBondContact NZ-O 3.36Å; E258-T282 HydrophobicContact CG-CG2 4.16Å; E258-T282 PolarHBondContact O-N 3Å; E258-T282 VanDerWaalsContact O-N 3.12Å; E258-T282 PolarHBondContact O-OG1 2.99Å; E260-T282 HydrophobicContact CB-CG2 4.16Å |
| 283 | D | 84.3 | Confident | 83.7 | Confident | 93 Ų | 93 | 58.5 Ų | 58.5 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -105.7 | 157.3 | -176.4 | -64.1 | -44 | 0 | 0 | 0 | 113.7 | Y281 P286 | Y281-D283 VanDerWaalsContact CB-O 3.24Å; Y281-D283 WeakPolarHBondContact CB-O 3.44Å; D283-P286 HydrophobicContact CB-CG 4.48Å; D283-P286 WeakPolarHBondContact O-CD 3.48Å; D283-P286 WeakPolarHBondContact O-CG 3.4Å |
| 284 | E | 83.1 | Confident | 84 | Confident | 112 Ų | 112 | 61.7 Ų | 61.7 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -88.2 | -16.9 | 176.4 | 60.5 | 174.6 | -164.4 | 0 | 0 | 114.1 | P231 V287 K288 | P231-E284 HydrophobicContact CG-CB 4.09Å; P231-E284 WeakPolarHBondContact CG-OE2 3.24Å; E284-V287 WeakPolarHBondContact O-CB 3.09Å; E284-V287 PolarHBondContact O-N 3.06Å; E284-K288 PolarHBondContact O-N 2.75Å; E284-K288 VanDerWaalsContact O-N 3.1Å |
| 285 | E | 84.1 | Confident | 84.7 | Confident | 129 Ų | 129 | 61.8 Ų | 61.8 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.1 | -48.8 | 176.5 | -63.5 | -154.9 | 166.9 | 0 | 0 | 114.5 | V287 K288 K289 | E285-V287 VanDerWaalsContact C-N 3.26Å; E285-V287 PolarHBondContact O-N 2.83Å; E285-K288 PolarHBondContact O-N 3.25Å; E285-K289 PolarHBondContact O-N 3.06Å; E285-K289 VanDerWaalsContact O-N 3.14Å |
| 286 | P | 84.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.3 | -41.2 | 176.5 | 18.9 | -31.7 | 0 | 0 | 0 | 111.5 | F256 Y281 D283 K288 K289 L290 | F256-P286 HydrophobicContact CB-CB 4.21Å; Y281-P286 HydrophobicContact CD1-CB 3.64Å; Y281-P286 HydrophobicContact CD1-CG 3.4Å; Y281-P286 VanDerWaalsContact CD1-CG 3.4Å; Y281-P286 HydrophobicContact CD2-CB 4.34Å; Y281-P286 HydrophobicContact CD2-CG 4.2Å; Y281-P286 HydrophobicContact CE1-CB 3.68Å; Y281-P286 HydrophobicContact CE1-CG 4.01Å; Y281-P286 HydrophobicContact CE2-CB 4.38Å; Y281-P286 HydrophobicContact CG-CB 3.98Å; Y281-P286 HydrophobicContact CG-CG 3.51Å; D283-P286 HydrophobicContact CB-CG 4.48Å; D283-P286 WeakPolarHBondContact O-CD 3.48Å; D283-P286 WeakPolarHBondContact O-CG 3.4Å; P286-K288 VanDerWaalsContact C-N 3.33Å; P286-K288 PolarHBondContact O-N 3.28Å; P286-K289 PolarHBondContact O-N 3.32Å; P286-L290 WeakPolarHBondContact O-CB 3.46Å; P286-L290 WeakPolarHBondContact O-CG 3.09Å; P286-L290 PolarHBondContact O-N 3.49Å |
| 287 | V | 83.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.3 | -45 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | P231 V235 Y281 E284 E285 L290 L291 | P231-V287 HydrophobicContact CB-CG1 4.36Å; V235-V287 HydrophobicContact CG2-CB 4.01Å; V235-V287 HydrophobicContact CG2-CG1 3.76Å; V235-V287 HydrophobicContact CG2-CG2 3.54Å; Y281-V287 HydrophobicContact CD2-CG2 3.83Å; Y281-V287 HydrophobicContact CG-CG2 4.47Å; E284-V287 WeakPolarHBondContact O-CB 3.09Å; E284-V287 PolarHBondContact O-N 3.06Å; E285-V287 VanDerWaalsContact C-N 3.26Å; E285-V287 PolarHBondContact O-N 2.83Å; V287-L290 PolarHBondContact O-N 3.01Å; V287-L291 HydrophobicContact CG1-CD1 3.89Å; V287-L291 HydrophobicContact CG1-CG 4.37Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.45Å |
| 288 | K | 83.4 | Confident | 84.2 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 61% | 0.609 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | -179.7 | -169.3 | 178.6 | 176.4 | -173.3 | 0 | 112 | E284 E285 P286 L290 L291 E292 | E284-K288 PolarHBondContact O-N 2.75Å; E284-K288 VanDerWaalsContact O-N 3.1Å; E285-K288 PolarHBondContact O-N 3.25Å; P286-K288 VanDerWaalsContact C-N 3.33Å; P286-K288 PolarHBondContact O-N 3.28Å; K288-L290 VanDerWaalsContact C-N 3.33Å; K288-L290 PolarHBondContact O-N 3.43Å; K288-L291 PolarHBondContact O-N 2.88Å; K288-L291 VanDerWaalsContact O-N 3.16Å; K288-E292 PolarHBondContact O-N 2.84Å; K288-E292 VanDerWaalsContact O-N 3.14Å |
| 289 | K | 84 | Confident | 83.5 | Confident | 104 Ų | 104 | 67.9 Ų | 67.9 | 45% | 0.452 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.7 | -69.3 | 173.7 | -175.9 | 165.3 | 0 | 111.9 | E285 P286 L291 E292 S293 | E285-K289 PolarHBondContact O-N 3.06Å; E285-K289 VanDerWaalsContact O-N 3.14Å; P286-K289 PolarHBondContact O-N 3.32Å; K289-L291 VanDerWaalsContact C-N 3.32Å; K289-L291 PolarHBondContact O-N 3.43Å; K289-E292 WeakPolarHBondContact O-CB 3.46Å; K289-E292 PolarHBondContact O-N 3.06Å; K289-S293 PolarHBondContact O-N 3.49Å |
| 290 | L | 84.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70 | -27.5 | 176.8 | -68 | 172.9 | 0 | 0 | 0 | 113.1 | F253 F256 Y281 P286 V287 K288 S293 I305 | F253-L290 HydrophobicContact CD1-CD1 3.92Å; F253-L290 HydrophobicContact CD1-CD2 4.04Å; F253-L290 HydrophobicContact CE1-CD1 4.14Å; F253-L290 HydrophobicContact CE1-CD2 3.92Å; F256-L290 HydrophobicContact CB-CD2 4.49Å; F256-L290 HydrophobicContact CD1-CD2 3.88Å; F256-L290 HydrophobicContact CD1-CG 4.48Å; F256-L290 HydrophobicContact CD2-CD2 3.96Å; F256-L290 HydrophobicContact CE1-CD2 4.05Å; F256-L290 HydrophobicContact CE2-CD2 4.12Å; F256-L290 HydrophobicContact CG-CD2 3.84Å; F256-L290 HydrophobicContact CG-CG 4.4Å; F256-L290 HydrophobicContact CZ-CD2 4.16Å; Y281-L290 HydrophobicContact CE2-CD1 3.83Å; Y281-L290 VanDerWaalsContact OH-CD1 3.26Å; Y281-L290 WeakPolarHBondContact OH-CD1 3.3Å; P286-L290 WeakPolarHBondContact O-CB 3.46Å; P286-L290 WeakPolarHBondContact O-CG 3.09Å; P286-L290 PolarHBondContact O-N 3.49Å; V287-L290 PolarHBondContact O-N 3.01Å; K288-L290 VanDerWaalsContact C-N 3.33Å; K288-L290 PolarHBondContact O-N 3.43Å; L290-S293 CarbonylContact O-C 3.58Å; L290-I305 HydrophobicContact CB-CD1 3.78Å; L290-I305 HydrophobicContact CB-CG2 4.1Å; L290-I305 HydrophobicContact CD1-CD1 4.35Å; L290-I305 HydrophobicContact CD2-CD1 3.63Å; L290-I305 HydrophobicContact CG-CD1 4.11Å |
| 291 | L | 82.8 | Confident | 82 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.4 | -25.7 | 175.1 | -71.3 | 170.9 | 0 | 0 | 0 | 113.1 | V287 K288 K289 S293 V307 | V287-L291 HydrophobicContact CG1-CD1 3.89Å; V287-L291 HydrophobicContact CG1-CG 4.37Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.45Å; K288-L291 PolarHBondContact O-N 2.88Å; K288-L291 VanDerWaalsContact O-N 3.16Å; K289-L291 VanDerWaalsContact C-N 3.32Å; K289-L291 PolarHBondContact O-N 3.43Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-V307 HydrophobicContact CD1-CG2 3.81Å; L291-V307 HydrophobicContact CD2-CG2 3.73Å; L291-V307 HydrophobicContact CG-CG2 4.45Å |
| 292 | E | 83 | Confident | 81.8 | Confident | 145 Ų | 145 | 77.9 Ų | 77.9 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 170.8 | -70 | 173.2 | -171.6 | 0 | 0 | 110.6 | K288 K289 | K288-E292 PolarHBondContact O-N 2.84Å; K288-E292 VanDerWaalsContact O-N 3.14Å; K289-E292 WeakPolarHBondContact O-CB 3.46Å; K289-E292 PolarHBondContact O-N 3.06Å |
| 293 | S | 82.7 | Confident | 81.8 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -101.3 | 83.3 | 176.9 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | K289 L290 L291 Y295 H296 | K289-S293 PolarHBondContact O-N 3.49Å; L290-S293 CarbonylContact O-C 3.58Å; L291-S293 VanDerWaalsContact C-N 3.34Å; S293-Y295 PolarHBondContact O-N 3.3Å; S293-H296 WeakPolarHBondContact CB-NE2 3.32Å; S293-H296 PolarHBondContact O-CD2 3.33Å; S293-H296 PolarHBondContact O-NE2 2.83Å |
| 294 | R | 79.3 | Confident | 82 | Confident | 157 Ų | 157 | 74.2 Ų | 74.2 | 59% | 0.592 | 37% | 0.368 | S | S | * | . | trans | -59.2 | -21.4 | -176.3 | -67 | -169 | -173.1 | -132.9 | 3.1 | 115.6 | E304 I305 | R294-E304 CarbonylContact O-C 3.57Å; R294-E304 WeakPolarHBondContact O-CA 3.3Å; R294-I305 PolarHBondContact O-N 3.44Å | ||
| 295 | Y | 85.3 | Confident | 82.2 | Confident | 136 Ų | 136 | 68.9 Ų | 68.9 | 53% | 0.533 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.9 | -178.6 | -62.4 | -74.2 | 0 | 0 | 0 | 110.5 | S293 K302 C303 E304 | S293-Y295 PolarHBondContact O-N 3.3Å; Y295-K302 HydrophobicContact CD1-CD 4.46Å; Y295-K302 VanDerWaalsContact CD1-CE 3.44Å; Y295-C303 WeakPolarHBondContact CA-O 3.38Å; Y295-E304 HydrophobicContact CD1-CB 4.27Å; Y295-E304 HydrophobicContact CD1-CG 4.37Å; Y295-E304 HydrophobicContact CE1-CB 4.17Å; Y295-E304 HydrophobicContact CE1-CG 4Å |
| 296 | H | 83.9 | Confident | 82.3 | Confident | 15 Ų | 15 | 67 Ų | 67 | 7% | 0.069 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 161.4 | 173.8 | -70.3 | -100.8 | 0 | 0 | 0 | 109.2 | Y252 F256 S293 C303 I305 | Y252-H296 HydrophobicContact CE1-CB 3.94Å; Y252-H296 AromaticContact CE1-ND1 3.55Å; Y252-H296 AromaticContact CZ-ND1 3.66Å; Y252-H296 PolarHBondContact OH-ND1 2.94Å; F256-H296 AromaticContact CZ-CE1 3.78Å; S293-H296 WeakPolarHBondContact CB-NE2 3.32Å; S293-H296 PolarHBondContact O-CD2 3.33Å; S293-H296 PolarHBondContact O-NE2 2.83Å; H296-C303 VanDerWaalsContact C-SG 3.54Å; H296-C303 VanDerWaalsContact CB-SG 3.5Å; H296-C303 PolarHBondContact N-O 3.32Å; H296-C303 PolarHBondContact O-N 2.8Å; H296-C303 PolarHBondContact O-SG 3.12Å; H296-I305 WeakPolarHBondContact CD2-CD1 3.48Å; H296-I305 WeakPolarHBondContact NE2-CD1 3.27Å |
| 297 | Q | 80.9 | Confident | 82.2 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 66% | 0.659 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120.3 | 179 | -168 | 161.8 | 13.1 | 0 | 0 | 108.3 | ||
| 298 | I | 79.3 | Confident | 81.9 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117.8 | -176.7 | -56.5 | 177.5 | 0 | 0 | 0 | 107.3 | L240 T244 Q248 Y252 F253 S300 G301 | L240-I298 HydrophobicContact CD2-CB 4.5Å; L240-I298 HydrophobicContact CD2-CD1 4.25Å; T244-I298 HydrophobicContact CG2-CG2 3.78Å; Q248-I298 HydrophobicContact CB-CG2 4.5Å; Y252-I298 HydrophobicContact CD1-CD1 3.51Å; Y252-I298 HydrophobicContact CD1-CG1 3.71Å; Y252-I298 HydrophobicContact CD2-CG1 4.41Å; Y252-I298 HydrophobicContact CE1-CD1 4.07Å; Y252-I298 HydrophobicContact CE1-CG1 4.03Å; Y252-I298 HydrophobicContact CG-CD1 4.02Å; Y252-I298 HydrophobicContact CG-CG1 3.91Å; F253-I298 HydrophobicContact CD2-CD1 3.9Å; F253-I298 HydrophobicContact CE2-CD1 3.13Å; F253-I298 HydrophobicContact CZ-CD1 3.53Å; I298-S300 PolarHBondContact O-N 3.33Å; I298-G301 PolarHBondContact N-O 3.07Å; I298-G301 PolarHBondContact O-N 3.48Å; I298-G301 VanDerWaalsContact O-N 3.12Å |
| 299 | G | 73.4 | Confident | 81.4 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | -125.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 300 | S | 71.5 | Confident | 80.6 | Confident | 95 Ų | 95 | 68 Ų | 68 | 66% | 0.664 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.2 | 177.1 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | I298 | I298-S300 PolarHBondContact O-N 3.33Š|
| 301 | G | 74.4 | Confident | 79.6 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 11% | 0.113 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I298 | I298-G301 PolarHBondContact N-O 3.07Å; I298-G301 PolarHBondContact O-N 3.48Å; I298-G301 VanDerWaalsContact O-N 3.12Å |
| 302 | K | 84.3 | Confident | 78.5 | Confident | 133 Ų | 133 | 80.7 Ų | 80.7 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 112.7 | 168.1 | -177.5 | 178.2 | -178.9 | 178.5 | 0 | 108.9 | G239 Y295 | G239-K302 CarbonylContact O-C 3.53Å; Y295-K302 HydrophobicContact CD1-CD 4.46Å; Y295-K302 VanDerWaalsContact CD1-CE 3.44Å |
| 303 | C | 87.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 146.8 | 178.8 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | V237 G238 L240 Y295 H296 | V237-C303 HydrophobicContact CG1-CB 3.71Å; G238-C303 CarbonylContact O-C 3.4Å; G238-C303 WeakPolarHBondContact O-CA 3.18Å; G238-C303 WeakPolarHBondContact O-CB 3.13Å; L240-C303 HydrophobicContact CD2-CB 3.85Å; L240-C303 HydrophobicContact CG-CB 4.29Å; Y295-C303 WeakPolarHBondContact CA-O 3.38Å; H296-C303 VanDerWaalsContact C-SG 3.54Å; H296-C303 VanDerWaalsContact CB-SG 3.5Å; H296-C303 PolarHBondContact N-O 3.32Å; H296-C303 PolarHBondContact O-N 2.8Å; H296-C303 PolarHBondContact O-SG 3.12Å |
| 304 | E | 87.7 | Confident | 76.4 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.4 | 176.1 | -174.7 | -171.3 | -166.7 | 0 | 0 | 109.4 | V237 G238 R294 Y295 K306 | V237-E304 CarbonylContact C-O 3.5Å; V237-E304 WeakPolarHBondContact CA-O 3.32Å; G238-E304 PolarHBondContact N-O 3.5Å; G238-E304 PolarHBondContact O-N 3.49Å; R294-E304 CarbonylContact O-C 3.57Å; R294-E304 WeakPolarHBondContact O-CA 3.3Å; Y295-E304 HydrophobicContact CD1-CB 4.27Å; Y295-E304 HydrophobicContact CD1-CG 4.37Å; Y295-E304 HydrophobicContact CE1-CB 4.17Å; Y295-E304 HydrophobicContact CE1-CG 4Å; E304-K306 VanDerWaalsContact CD-CE 3.43Å; E304-K306 WeakPolarHBondContact OE1-CE 3.5Å; E304-K306 IonicContact OE1-NZ 2.68Å; E304-K306 PolarHBondContact OE1-NZ 3.1Å; E304-K306 WeakPolarHBondContact OE2-CE 3.32Å; E304-K306 IonicContact OE2-NZ 2.61Å; E304-K306 PolarHBondContact OE2-NZ 3.25Å |
| 305 | I | 88.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.7 | -179.6 | -58.5 | -173.7 | 0 | 0 | 0 | 111 | V235 F236 V237 F253 L290 R294 H296 | V235-I305 HydrophobicContact CG1-CG2 3.25Å; F236-I305 WeakPolarHBondContact O-CA 3.49Å; V237-I305 HydrophobicContact CG2-CG1 4.48Å; F253-I305 HydrophobicContact CE1-CD1 3.65Å; F253-I305 HydrophobicContact CZ-CD1 4.14Å; L290-I305 HydrophobicContact CB-CD1 3.78Å; L290-I305 HydrophobicContact CB-CG2 4.1Å; L290-I305 HydrophobicContact CD1-CD1 4.35Å; L290-I305 HydrophobicContact CD2-CD1 3.63Å; L290-I305 HydrophobicContact CG-CD1 4.11Å; R294-I305 PolarHBondContact O-N 3.44Å; H296-I305 WeakPolarHBondContact CD2-CD1 3.48Å; H296-I305 WeakPolarHBondContact NE2-CD1 3.27Å |
| 306 | K | 85.5 | Confident | 74.5 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 38% | 0.383 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.6 | 175.4 | -71 | 169.9 | 166.1 | 144.2 | 0 | 110.6 | F236 E304 A308 | F236-K306 HydrophobicContact CB-CB 4.39Å; F236-K306 HydrophobicContact CD1-CB 4.02Å; F236-K306 HydrophobicContact CD1-CD 4.41Å; F236-K306 PolarHBondContact N-O 2.79Å; F236-K306 PolarHBondContact O-N 2.95Å; E304-K306 VanDerWaalsContact CD-CE 3.43Å; E304-K306 WeakPolarHBondContact OE1-CE 3.5Å; E304-K306 IonicContact OE1-NZ 2.68Å; E304-K306 PolarHBondContact OE1-NZ 3.1Å; E304-K306 WeakPolarHBondContact OE2-CE 3.32Å; E304-K306 IonicContact OE2-NZ 2.61Å; E304-K306 PolarHBondContact OE2-NZ 3.25Å; K306-A308 PolarHBondContact O-N 3.31Å |
| 307 | V | 82.4 | Confident | 73.3 | Confident | 71 Ų | 71 | 83.8 Ų | 83.8 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 120.8 | 165.3 | 169.4 | 0 | 0 | 0 | 0 | 108.5 | P232 L291 Q309 | P232-V307 VanDerWaalsContact CD-CG1 3.49Å; P232-V307 HydrophobicContact CG-CB 4.24Å; P232-V307 HydrophobicContact CG-CG1 3.34Å; L291-V307 HydrophobicContact CD1-CG2 3.81Å; L291-V307 HydrophobicContact CD2-CG2 3.73Å; L291-V307 HydrophobicContact CG-CG2 4.45Å; V307-Q309 PolarHBondContact O-N 2.84Å |
| 308 | A | 76.8 | Confident | 72.1 | Confident | 8 Ų | 8 | 81.8 Ų | 81.8 | 7% | 0.066 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 123.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K234 F236 F278 K306 | K234-A308 HydrophobicContact CB-CB 3.9Å; K234-A308 HydrophobicContact CD-CB 4.27Å; K234-A308 HydrophobicContact CG-CB 3.69Å; K234-A308 WeakPolarHBondContact O-CB 3.43Å; K234-A308 PolarHBondContact O-N 2.74Å; F236-A308 HydrophobicContact CB-CB 4.33Å; F278-A308 HydrophobicContact CD1-CB 3.94Å; F278-A308 HydrophobicContact CE1-CB 4.16Å; K306-A308 PolarHBondContact O-N 3.31Å |
| 309 | Q | 73.4 | Confident | 71.1 | Confident | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 140 | 171.4 | -66.3 | -167.5 | -24.1 | 0 | 0 | 109.7 | V307 K311 | V307-Q309 PolarHBondContact O-N 2.84Å; Q309-K311 PolarHBondContact O-N 3.13Å |
| 310 | P | 66.9 | Low | 70.3 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -60 | 141.9 | 175.1 | 23.2 | -30.9 | 0 | 0 | 0 | 110.4 | E312 V313 Y314 | P310-E312 PolarHBondContact O-N 2.97Å; P310-V313 HydrophobicContact CG-CB 4.24Å; P310-V313 HydrophobicContact CG-CG2 3.75Å; P310-V313 PolarHBondContact O-N 3.25Å; P310-Y314 PolarHBondContact O-N 2.99Å |
| 311 | K | 61.9 | Low | 69.4 | Low | 178 Ų | 178 | 96.1 Ų | 96.1 | 77% | 0.774 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -53.7 | -30 | -175.3 | -169.7 | 175.2 | -179.1 | 177.4 | 0 | 113.4 | Q309 R315 | Q309-K311 PolarHBondContact O-N 3.13Å; K311-R315 PolarHBondContact O-N 2.83Å |
| 312 | E | 59.7 | Low | 68.2 | Low | 145 Ų | 145 | 104.6 Ų | 104.6 | 68% | 0.678 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 177.9 | -169.7 | 176.8 | -177.5 | 0 | 0 | 112.6 | P310 Y314 R315 Q316 | P310-E312 PolarHBondContact O-N 2.97Å; E312-Y314 VanDerWaalsContact C-N 3.35Å; E312-Y314 PolarHBondContact O-N 3.5Å; E312-R315 PolarHBondContact O-N 2.74Å; E312-Q316 PolarHBondContact O-N 3.46Å |
| 313 | V | 60.4 | Low | 66.4 | Low | 65 Ų | 65 | 101.7 Ų | 101.7 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | P310 Q316 Q317 | P310-V313 HydrophobicContact CG-CB 4.24Å; P310-V313 HydrophobicContact CG-CG2 3.75Å; P310-V313 PolarHBondContact O-N 3.25Å; V313-Q316 PolarHBondContact O-N 3.13Å; V313-Q317 WeakPolarHBondContact O-CB 3.41Å; V313-Q317 PolarHBondContact O-N 3.39Å |
| 314 | Y | 63 | Low | 64.7 | Low | 120 Ų | 120 | 104.7 Ų | 104.7 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.6 | -38 | 176.7 | -168.2 | -100.3 | 0 | 0 | 0 | 112.7 | P310 E312 Q317 Q318 | P310-Y314 PolarHBondContact O-N 2.99Å; E312-Y314 VanDerWaalsContact C-N 3.35Å; E312-Y314 PolarHBondContact O-N 3.5Å; Y314-Q317 PolarHBondContact O-N 3.39Å; Y314-Q318 HydrophobicContact CE1-CG 4.08Å; Y314-Q318 PolarHBondContact O-N 3.02Å; Y314-Q318 PolarHBondContact OH-NE2 3.24Å; Y314-Q318 VanDerWaalsContact OH-NE2 3.13Å |
| 315 | R | 63.3 | Low | 62.8 | Low | 177 Ų | 177 | 113.8 Ų | 113.8 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -44.4 | 174.3 | -91.4 | -179.2 | 68.6 | -171.2 | 1.4 | 112.2 | K311 E312 Q317 Q318 Q319 | K311-R315 PolarHBondContact O-N 2.83Å; E312-R315 PolarHBondContact O-N 2.74Å; R315-Q317 VanDerWaalsContact C-N 3.34Å; R315-Q318 PolarHBondContact O-N 3.41Å; R315-Q319 WeakPolarHBondContact O-CB 3.26Å; R315-Q319 PolarHBondContact O-N 3.17Å |
| 316 | Q | 59.5 | Low | 60.6 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -39.8 | 176.4 | -86.8 | 178.2 | -2.2 | 0 | 0 | 112 | E312 V313 Q319 Q320 | E312-Q316 PolarHBondContact O-N 3.46Å; V313-Q316 PolarHBondContact O-N 3.13Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q316-Q320 PolarHBondContact O-N 2.87Å |
| 317 | Q | 58.9 | Low | 58.7 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 45% | 0.453 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.6 | -36.5 | -179.6 | -153.9 | 167.2 | 50.7 | 0 | 0 | 112.6 | V313 Y314 R315 Q319 Q320 Q321 | V313-Q317 WeakPolarHBondContact O-CB 3.41Å; V313-Q317 PolarHBondContact O-N 3.39Å; Y314-Q317 PolarHBondContact O-N 3.39Å; R315-Q317 VanDerWaalsContact C-N 3.34Å; Q317-Q319 VanDerWaalsContact C-N 3.34Å; Q317-Q320 PolarHBondContact O-N 2.85Å; Q317-Q321 PolarHBondContact O-N 3.09Å; Q317-Q321 VanDerWaalsContact O-N 3.07Å |
| 318 | Q | 57.2 | Low | 57 | Low | 99 Ų | 99 | 120 Ų | 120 | 46% | 0.463 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66 | -35.5 | 169.1 | -87.4 | -165.1 | 4.9 | 0 | 0 | 112.4 | Y314 R315 Q320 Q321 K322 | Y314-Q318 HydrophobicContact CE1-CG 4.08Å; Y314-Q318 PolarHBondContact O-N 3.02Å; Y314-Q318 PolarHBondContact OH-NE2 3.24Å; Y314-Q318 VanDerWaalsContact OH-NE2 3.13Å; R315-Q318 PolarHBondContact O-N 3.41Å; Q318-Q320 VanDerWaalsContact C-N 3.34Å; Q318-Q321 PolarHBondContact O-N 3.48Å; Q318-K322 VanDerWaalsContact O-CB 3.32Å; Q318-K322 WeakPolarHBondContact O-CB 3.43Å; Q318-K322 PolarHBondContact O-N 3.09Å |
| 319 | Q | 57.4 | Low | 55.6 | Low | 146 Ų | 146 | 124.7 Ų | 124.7 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -32.5 | 179.4 | -152.6 | 163.5 | 18.2 | 0 | 0 | 111.8 | R315 Q316 Q317 G323 | R315-Q319 WeakPolarHBondContact O-CB 3.26Å; R315-Q319 PolarHBondContact O-N 3.17Å; Q316-Q319 PolarHBondContact O-N 2.92Å; Q317-Q319 VanDerWaalsContact C-N 3.34Å; Q319-G323 PolarHBondContact O-N 3.49Å |
| 320 | Q | 56.3 | Low | 53.8 | Low | 165 Ų | 165 | 123.5 Ų | 123.5 | 77% | 0.771 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71.2 | -37.9 | 169.7 | -94.5 | 173.2 | 1.1 | 0 | 0 | 113.4 | Q316 Q317 Q318 G323 | Q316-Q320 PolarHBondContact O-N 2.87Å; Q317-Q320 PolarHBondContact O-N 2.85Å; Q318-Q320 VanDerWaalsContact C-N 3.34Å; Q320-G323 PolarHBondContact O-N 3.04Å |
| 321 | Q | 52.9 | Low | 52.5 | Low | 150 Ų | 150 | 123 Ų | 123 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -75.1 | -26.9 | 176.7 | -79.5 | -177.2 | 5.8 | 0 | 0 | 113.8 | Q317 Q318 G323 | Q317-Q321 PolarHBondContact O-N 3.09Å; Q317-Q321 VanDerWaalsContact O-N 3.07Å; Q318-Q321 PolarHBondContact O-N 3.48Å; Q321-G323 VanDerWaalsContact C-N 3.31Å |
| 322 | K | 49.7 | Very low | 51.6 | Low | 190 Ų | 190 | 126.6 Ų | 126.6 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -5.7 | 176 | -141.7 | 178.5 | -176.7 | -175.2 | 0 | 113.7 | Q318 | Q318-K322 VanDerWaalsContact O-CB 3.32Å; Q318-K322 WeakPolarHBondContact O-CB 3.43Å; Q318-K322 PolarHBondContact O-N 3.09Å |
| 323 | G | 46.2 | Very low | 50.6 | Low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -7.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q319 Q320 Q321 | Q319-G323 PolarHBondContact O-N 3.49Å; Q320-G323 PolarHBondContact O-N 3.04Å; Q321-G323 VanDerWaalsContact C-N 3.31Å |
| 324 | G | 51 | Low | 49.7 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -112.7 | -1.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 325 | R | 47.4 | Very low | 48.7 | Very low | 244 Ų | 244 | 125.3 Ų | 125.3 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -142.5 | 72 | -179.2 | -76.8 | -175.1 | 172.2 | 172.9 | -3.2 | 110.9 | ||
| 326 | G | 43.4 | Very low | 47.3 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -174.1 | 10.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 327 | A | 44.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -119.9 | 33 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 328 | A | 45.8 | Very low | 45 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -142.4 | 49 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 329 | A | 47.3 | Very low | 43.9 | Very low | 106 Ų | 106 | 133 Ų | 133 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -152.7 | 82.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 330 | G | 36.9 | Very low | 42.8 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 166.1 | 62.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 331 | G | 39.4 | Very low | 41.7 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | 77.4 | 70 | 52.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 332 | R | 43.7 | Very low | 40.9 | Very low | 254 Ų | 254 | 135.5 Ų | 135.5 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | trans | 47.1 | 90.3 | 155.5 | -81.6 | 177.8 | 166.5 | 166.1 | -3.6 | 116.9 | ||||
| 333 | G | 38 | Very low | 40 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 95% | 0.948 | 84% | 0.837 | S | S | * | * | trans | -133.9 | 61.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 334 | G | 41.6 | Very low | 39.4 | Very low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -152.4 | 104.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 335 | T | 41.5 | Very low | 38.5 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | 72.9 | 79.1 | 155.2 | -38.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 336 | R | 35.1 | Very low | 37.7 | Very low | 255 Ų | 255 | 137.3 Ų | 137.3 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | -105.6 | 117.7 | 146.6 | -96.1 | -175.4 | -177.5 | 151.9 | -0.5 | 109.3 | ||||
| 337 | G | 34.4 | Very low | 37.1 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | 95.4 | 96.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 338 | R | 35.5 | Very low | 36.6 | Very low | 259 Ų | 259 | 141.6 Ų | 141.6 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | -164 | 100.2 | 120 | -103.1 | -174.8 | -169.3 | -163.5 | 4.4 | 109.7 | |||||
| 339 | G | 33.8 | Very low | 35.9 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -96.8 | 129 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 340 | R | 33.1 | Very low | 35.3 | Very low | 261 Ų | 261 | 140.8 Ų | 140.8 | 99% | 0.985 | 81% | 0.813 | S | S | * | * | trans | 160.8 | 136.8 | 142.5 | -98.6 | -171.1 | 171.7 | -159.4 | -0.9 | 111.7 | ||||
| 341 | G | 33.1 | Very low | 35.1 | Very low | 67 Ų | 67 | 148.7 Ų | 148.7 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | 118.1 | 94.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 342 | Q | 36.2 | Very low | 34.8 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 82% | 0.82 | S | S | * | * | 68.8 | 103.8 | 104.1 | -79.7 | -176.6 | 3.9 | 0 | 0 | 113 | |||||
| 343 | Q | 32.6 | Very low | 34.2 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | 79.2 | 128.1 | 78.2 | -173.4 | 154.2 | 21.1 | 0 | 0 | 114 | |||||
| 344 | S | 32.9 | Very low | 34 | Very low | 92 Ų | 92 | 140.2 Ų | 140.2 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | 89.5 | 109.6 | 154 | -74.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 345 | T | 31.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 68% | 0.681 | 81% | 0.814 | S | S | * | * | 57.1 | 137.8 | 109.6 | -21.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 346 | Y | 30.9 | Very low | 33.8 | Very low | 226 Ų | 226 | 145.8 Ų | 145.8 | 89% | 0.886 | 81% | 0.813 | S | S | * | * | trans | 78.3 | 113.8 | 156.6 | -83.8 | -77.4 | 0 | 0 | 0 | 119.7 | ||||
| 347 | G | 31.5 | Very low | 33.9 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | 121.1 | 127.4 | 113 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 348 | K | 34.4 | Very low | 33.9 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 94% | 0.935 | 80% | 0.803 | S | S | * | * | trans | 65.7 | 157.6 | 150.1 | -71.5 | -174 | 174.5 | 180 | 0 | 116.8 | ||||
| 349 | A | 31.1 | Very low | 33.9 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -175.8 | 143.1 | -24 | 0 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 350 | S | 33.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 32.7 | 116.6 | 143.7 | -159.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 351 | R | 33.6 | Very low | 34.2 | Very low | 243 Ų | 243 | 137.4 Ų | 137.4 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | 166.9 | 141.2 | 117.1 | -95.3 | -179.3 | 178.3 | 177.3 | 0.6 | 113.1 | |||||
| 352 | G | 32.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 84.6 | 112 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 353 | G | 31.6 | Very low | 35.7 | Very low | 87 Ų | 87 | 144 Ų | 144 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | cis | 87.7 | 103.7 | 37.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 354 | G | 34.3 | Very low | 35.9 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 151.2 | 98.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 355 | N | 37.1 | Very low | 36.1 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -34.6 | 152.9 | 153.5 | -84.4 | -25.1 | 0 | 0 | 0 | 112.4 | ||||
| 356 | H | 42.1 | Very low | 36.3 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | -172.8 | 98 | 119.3 | -87.6 | 99 | 0 | 0 | 0 | 109.6 | |||||
| 357 | Q | 35.8 | Very low | 36.6 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | 1.4 | 135.3 | 138.1 | -140.6 | 110.8 | -15.8 | 0 | 0 | 119.2 | ||||
| 358 | N | 34.8 | Very low | 36.9 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | 58.6 | 122.3 | 140.2 | -66.6 | -13.2 | 0 | 0 | 0 | 119.7 | ||||
| 359 | N | 35.1 | Very low | 37.1 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | -174.7 | 141.3 | 82 | -159 | 6.1 | 0 | 0 | 0 | 112.2 | |||||
| 360 | Y | 33.5 | Very low | 37.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -47.6 | 134.7 | 166.9 | -110.2 | -125.8 | 0 | 0 | 0 | 112.4 | ||||
| 361 | Q | 39.8 | Very low | 37.9 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 50% | 0.495 | 80% | 0.799 | S | S | . | * | 67.2 | 153.9 | 86.2 | -97.9 | 169 | -40.5 | 0 | 0 | 114.5 | Y363 | Q361-Y363 HydrophobicContact CG-CD2 4.44Š| |||
| 362 | P | 58 | Low | 38.2 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -129.9 | 153.1 | 31.4 | 13.9 | 14.1 | 0 | 0 | 0 | 114.4 | ||||
| 363 | Y | 44 | Very low | 38.7 | Very low | 274 Ų | 274 | 147.7 Ų | 147.7 | 100% | 1.075 | 79% | 0.788 | S | S | * | * | 59.8 | 0 | 93.3 | -85.5 | -66.7 | 0 | 0 | 0 | 116 | Q361 | Q361-Y363 HydrophobicContact CG-CD2 4.44Š|
Retrieved 363 of 363 residues in 213.6 ms
(Link to these results)